data_r5i3jsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-05-18 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5i3j 
_cell.length_a      40.0299 
_cell.length_b      44.1200 
_cell.length_c      71.6997 
_cell.angle_alpha   79.0600 
_cell.angle_beta    77.4900 
_cell.angle_gamma   63.1100 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.284 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.800 
_diffrn_reflns.pdbx_d_res_low    69.607 
_diffrn_reflns.limit_h_max       22 
_diffrn_reflns.limit_h_min       -21 
_diffrn_reflns.limit_k_max       24 
_diffrn_reflns.limit_k_min       -23 
_diffrn_reflns.limit_l_max       39 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            39393 
_diffrn_reflns.pdbx_number_obs   36591 
# 
_entry.id   5i3j 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5i3j 
_symmetry.space_group_name_H-M   "P 1" 
_symmetry.Int_Tables_number      1 
# 
_symmetry_equiv.id           1 
_symmetry_equiv.pos_as_xyz   "X,  Y,  Z" 
# 
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.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -21 -14 1  o 155.9007 20.79880 668.3960       151.1585 668.3960       151.1585 0.000000       0.000000 155.9007 20.79880 ?        ?        0.000000       20.79880 
1 1 1 -21 -14 2  f 43.02887 20.41424 -96.36854      113.0437 -96.36854      113.0437 0.000000       0.000000 43.02887 20.41424 ?        ?        0.000000       20.41424 
1 1 1 -21 -13 1  o 81.13420 26.17624 196.0003       115.5447 196.0003       115.5447 0.000000       0.000000 81.13420 26.17624 ?        ?        0.000000       26.17624 
1 1 1 -21 -13 2  o 56.87391 23.76286 52.33548       107.8893 52.33548       107.8893 0.000000       0.000000 56.87391 23.76286 ?        ?        0.000000       23.76286 
1 1 1 -21 -13 3  o 74.32782 25.87610 162.2702       112.7162 162.2702       112.7162 0.000000       0.000000 74.32782 25.87610 ?        ?        0.000000       25.87610 
1 1 1 -21 -12 1  o 186.9502 12.71149 880.3204       112.9379 880.3204       112.9379 0.000000       0.000000 186.9502 12.71149 ?        ?        0.000000       12.71149 
1 1 1 -21 -12 2  o 126.8422 15.32475 417.9964       91.05051 417.9964       91.05051 0.000000       0.000000 126.8422 15.32475 ?        ?        0.000000       15.32475 
1 1 1 -21 -12 3  o 104.6656 26.16336 332.3347       130.5532 332.3347       130.5532 0.000000       0.000000 104.6656 26.16336 ?        ?        0.000000       26.16336 
1 1 1 -21 -11 1  o 79.62079 23.57891 182.9918       96.10792 182.9918       96.10792 0.000000       0.000000 79.62079 23.57891 ?        ?        0.000000       23.57891 
1 1 1 -21 -11 2  o 76.70461 20.63351 165.4654       77.30866 165.4654       77.30866 0.000000       0.000000 76.70461 20.63351 ?        ?        0.000000       20.63351 
1 1 1 -21 -11 3  o 41.81616 19.43164 -54.55179      93.60444 -54.55179      93.60444 0.000000       0.000000 41.81616 19.43164 ?        ?        0.000000       19.43164 
1 1 1 -21 -11 4  o 84.31250 29.09902 227.7155       142.4048 227.7155       142.4048 0.000000       0.000000 84.31250 29.09902 ?        ?        0.000000       29.09902 
1 1 1 -21 -10 1  o 54.02834 20.90494 62.93720       76.82777 62.93720       76.82777 0.000000       0.000000 54.02834 20.90494 ?        ?        0.000000       20.90494 
1 1 1 -21 -10 2  o 83.76418 24.09310 206.5716       101.6414 206.5716       101.6414 0.000000       0.000000 83.76418 24.09310 ?        ?        0.000000       24.09310 
1 1 1 -21 -10 3  o 91.70529 28.49591 267.6427       138.0716 267.6427       138.0716 0.000000       0.000000 91.70529 28.49591 ?        ?        0.000000       28.49591 
1 1 1 -21 -10 4  o 108.3521 26.06066 358.6903       133.3415 358.6903       133.3415 0.000000       0.000000 108.3521 26.06066 ?        ?        0.000000       26.06066 
1 1 1 -21 -9  1  o 68.40620 25.56222 125.4884       112.4195 125.4884       112.4195 0.000000       0.000000 68.40620 25.56222 ?        ?        0.000000       25.56222 
1 1 1 -21 -9  2  o 207.8871 14.37292 1108.923       141.9708 1108.923       141.9708 0.000000       0.000000 207.8871 14.37292 ?        ?        0.000000       14.37292 
1 1 1 -21 -9  3  o 94.89867 22.32845 260.5689       99.60211 260.5689       99.60211 0.000000       0.000000 94.89867 22.32845 ?        ?        0.000000       22.32845 
1 1 1 -21 -9  4  o 132.1471 22.21796 499.7152       135.3931 499.7152       135.3931 0.000000       0.000000 132.1471 22.21796 ?        ?        0.000000       22.21796 
1 1 1 -21 -8  1  o 76.78333 26.97560 176.3754       122.6678 176.3754       122.6678 0.000000       0.000000 76.78333 26.97560 ?        ?        0.000000       26.97560 
1 1 1 -21 -8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 -8  3  o 57.79488 25.17953 39.13440       130.5387 39.13440       130.5387 0.000000       0.000000 57.79488 25.17953 ?        ?        0.000000       25.17953 
1 1 1 -21 -8  4  o 60.75681 23.80026 91.53317       100.5587 91.53317       100.5587 0.000000       0.000000 60.75681 23.80026 ?        ?        0.000000       23.80026 
1 1 1 -21 -7  1  o 153.3400 16.70622 623.3658       120.4954 623.3658       120.4954 0.000000       0.000000 153.3400 16.70622 ?        ?        0.000000       16.70622 
1 1 1 -21 -7  2  o 115.8340 24.66471 401.8459       132.3997 401.8459       132.3997 0.000000       0.000000 115.8340 24.66471 ?        ?        0.000000       24.66471 
1 1 1 -21 -7  3  o 47.84245 21.80354 -23.05215      110.0721 -23.05215      110.0721 0.000000       0.000000 47.84245 21.80354 ?        ?        0.000000       21.80354 
1 1 1 -21 -6  1  f 46.71456 20.89201 -5.871248      95.65516 -5.871248      95.65516 0.000000       0.000000 46.71456 20.89201 ?        ?        0.000000       20.89201 
1 1 1 -21 -6  2  o 96.51019 20.75924 267.6420       92.93874 267.6420       92.93874 0.000000       0.000000 96.51019 20.75924 ?        ?        0.000000       20.75924 
1 1 1 -21 -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -17 1  o 65.57317 23.73503 112.3873       95.66322 112.3873       95.66322 0.000000       0.000000 65.57317 23.73503 ?        ?        0.000000       23.73503 
1 1 1 -20 -17 2  o 78.29945 27.63208 179.5862       128.8169 179.5862       128.8169 0.000000       0.000000 78.29945 27.63208 ?        ?        0.000000       27.63208 
1 1 1 -20 -16 1  o 99.78364 27.87803 297.8515       138.0987 297.8515       138.0987 0.000000       0.000000 99.78364 27.87803 ?        ?        0.000000       27.87803 
1 1 1 -20 -16 2  o 103.9669 22.79599 304.1067       110.1795 304.1067       110.1795 0.000000       0.000000 103.9669 22.79599 ?        ?        0.000000       22.79599 
1 1 1 -20 -16 3  f 56.08598 22.10047 64.71104       87.15054 64.71104       87.15054 0.000000       0.000000 56.08598 22.10047 ?        ?        0.000000       22.10047 
1 1 1 -20 -16 4  o 95.19881 21.30543 253.8619       94.54379 344.3074       159.7246 205.0820       117.3002 103.9085 30.29689 82.93159 26.33522 20.97688       40.14281 
1 1 1 -20 -15 1  o 74.83578 25.18935 153.3093       106.6001 153.3093       106.6001 0.000000       0.000000 74.83578 25.18935 ?        ?        0.000000       25.18935 
1 1 1 -20 -15 2  o 81.71378 24.38903 189.3152       102.5071 189.3152       102.5071 0.000000       0.000000 81.71378 24.38903 ?        ?        0.000000       24.38903 
1 1 1 -20 -15 3  o 79.13433 22.37909 175.8133       88.42834 175.8133       88.42834 0.000000       0.000000 79.13433 22.37909 ?        ?        0.000000       22.37909 
1 1 1 -20 -15 4  o 152.9264 12.81859 588.9385       92.85819 683.4818       165.4390 545.4545       112.1986 156.9456 22.70773 144.7747 16.50454 12.17087       28.07207 
1 1 1 -20 -15 5  o 64.66844 20.76211 114.0805       72.75098 212.1657       97.32158 -10.15092      109.5274 85.82706 23.17810 50.08925 22.38168 35.73781       32.22055 
1 1 1 -20 -14 1  o 86.14347 24.55685 208.7791       106.0496 208.7791       106.0496 0.000000       0.000000 86.14347 24.55685 ?        ?        0.000000       24.55685 
1 1 1 -20 -14 2  o 54.46412 24.49491 -23.73446      133.5299 -23.73446      133.5299 0.000000       0.000000 54.46412 24.49491 ?        ?        0.000000       24.49491 
1 1 1 -20 -14 3  o 54.66208 22.04386 51.10954       88.71425 51.10954       88.71425 0.000000       0.000000 54.66208 22.04386 ?        ?        0.000000       22.04386 
1 1 1 -20 -14 4  o 62.27706 22.47942 97.37271       85.73481 95.57020       151.6319 98.21976       103.9453 68.90592 28.42558 64.21854 24.45044 4.687386       37.49450 
1 1 1 -20 -14 5  o 77.67632 19.59125 165.8419       72.73286 162.0295       97.62918 170.5969       109.0326 75.49048 24.03201 77.05502 25.46476 -1.564545      35.01416 
1 1 1 -20 -14 6  o 54.64791 22.21126 53.47550       90.87078 73.53678       213.0604 49.01485       100.4667 71.50322 31.62429 55.54937 23.04734 15.95385       39.13152 
1 1 1 -20 -13 1  o 98.91103 21.78740 266.9174       100.2405 266.9174       100.2405 0.000000       0.000000 98.91103 21.78740 ?        ?        0.000000       21.78740 
1 1 1 -20 -13 2  o 153.7338 17.36461 610.4047       125.3960 610.4047       125.3960 0.000000       0.000000 153.7338 17.36461 ?        ?        0.000000       17.36461 
1 1 1 -20 -13 3  o 69.17793 24.94313 122.7375       105.5225 122.7375       105.5225 0.000000       0.000000 69.17793 24.94313 ?        ?        0.000000       24.94313 
1 1 1 -20 -13 4  o 121.2662 14.51453 374.6325       82.47984 308.1402       121.1604 432.0589       112.5979 104.0259 24.72724 127.6993 19.02277 -23.67348      31.19779 
1 1 1 -20 -13 5  o 53.37157 20.41949 60.81203       72.72416 -13.78595      104.7559 130.2112       101.0397 49.09572 21.91659 69.56867 24.47892 -20.47295      32.85658 
1 1 1 -20 -13 6  o 68.11118 21.50244 127.9687       78.30054 195.6429       130.0165 89.45607       98.08183 81.19648 27.81259 61.68142 23.68471 19.51506       36.53089 
1 1 1 -20 -13 7  o 52.06718 18.36053 66.97692       56.86591 190.1251       225.1054 58.58234       58.77214 81.83036 34.26667 50.30465 18.54146 31.52571       38.96140 
1 1 1 -20 -12 1  o 133.7876 17.93566 464.8482       111.8333 464.8482       111.8333 0.000000       0.000000 133.7876 17.93566 ?        ?        0.000000       17.93566 
1 1 1 -20 -12 2  o 65.19628 26.98534 70.21686       137.2765 70.21686       137.2765 0.000000       0.000000 65.19628 26.98534 ?        ?        0.000000       26.98534 
1 1 1 -20 -12 3  o 58.25909 23.78698 55.33113       104.7914 55.33113       104.7914 0.000000       0.000000 58.25909 23.78698 ?        ?        0.000000       23.78698 
1 1 1 -20 -12 4  o 72.62727 18.44534 141.5686       64.15745 139.6109       84.52495 144.2297       98.54473 71.54747 22.30585 72.75415 24.21469 -1.206680      32.92267 
1 1 1 -20 -12 5  o 145.7100 12.27146 530.8594       84.69203 596.5800       147.5142 498.5447       103.4387 148.3122 21.42426 139.1900 15.82476 9.122253       26.63498 
1 1 1 -20 -12 6  o 111.8574 16.20372 326.5007       84.13319 284.3477       141.4372 349.5838       104.6640 96.34301 28.62231 113.4459 20.02958 -17.10286      34.93452 
1 1 1 -20 -12 7  o 95.29184 15.85573 238.5112       69.69818 437.0089       229.6296 218.3685       73.14909 109.7364 36.97036 90.19047 17.59649 19.54592       40.94440 
1 1 1 -20 -12 8  o 67.62138 21.64202 127.9959       79.09351 6.793430       144.8957 179.4388       94.39795 57.49949 25.71436 78.49347 23.39885 -20.99398      34.76686 
1 1 1 -20 -11 1  o 175.9562 14.95378 781.5047       124.6046 781.5047       124.6046 0.000000       0.000000 175.9562 14.95378 ?        ?        0.000000       14.95378 
1 1 1 -20 -11 2  o 133.5289 17.87687 463.7900       111.2589 463.7900       111.2589 0.000000       0.000000 133.5289 17.87687 ?        ?        0.000000       17.87687 
1 1 1 -20 -11 3  o 215.2182 13.56238 1159.629       138.8382 1159.629       138.8382 0.000000       0.000000 215.2182 13.56238 ?        ?        0.000000       13.56238 
1 1 1 -20 -11 4  o 127.9268 11.26783 406.2211       68.21085 408.0063       110.4553 405.1206       86.72295 124.0514 19.24752 126.1852 14.64712 -2.133827      24.18688 
1 1 1 -20 -11 5  o 51.18104 20.45153 45.43863       75.62634 35.20982       136.2568 49.99253       90.91546 60.41685 26.02342 54.77903 22.23435 5.637821       34.22842 
1 1 1 -20 -11 6  o 86.19863 19.46321 202.6642       78.30444 137.9961       135.3782 235.1772       95.99138 72.73419 27.85183 91.50424 22.17671 -18.77005      35.60240 
1 1 1 -20 -11 7  o 31.63634 14.20958 -15.81444      44.77082 -69.31986      230.2644 -13.71225      45.64185 63.98586 29.97785 32.30675 14.44113 31.67912       33.27488 
1 1 1 -20 -11 8  o 103.8807 18.68450 293.2519       89.38363 310.2305       158.0889 285.2737       108.3680 97.50175 30.52173 99.25761 23.24721 -1.755867      38.36677 
1 1 1 -20 -10 1  o 39.07934 17.93640 -43.32585      76.24665 -43.32585      76.24665 0.000000       0.000000 39.07934 17.93640 ?        ?        0.000000       17.93640 
1 1 1 -20 -10 2  o 65.07088 23.25438 106.0081       91.49122 106.0081       91.49122 0.000000       0.000000 65.07088 23.25438 ?        ?        0.000000       23.25438 
1 1 1 -20 -10 3  o 138.2143 17.07640 494.3932       110.4413 494.3932       110.4413 0.000000       0.000000 138.2143 17.07640 ?        ?        0.000000       17.07640 
1 1 1 -20 -10 4  o 67.28510 23.65573 117.7362       94.34437 117.7362       94.34437 0.000000       0.000000 67.28510 23.65573 ?        ?        0.000000       23.65573 
1 1 1 -20 -10 5  o 80.63975 16.48029 171.3804       61.38859 209.3051       96.93652 145.9862       79.32189 86.21548 23.06646 72.85939 21.38030 13.35609       31.45122 
1 1 1 -20 -10 6  o 60.36943 16.76796 96.99088       50.11882 259.7374       131.1526 69.16060       54.23504 93.00827 27.54458 52.62913 17.96482 40.37914       32.88523 
1 1 1 -20 -10 7  o 66.76772 22.46782 122.2007       84.80986 -51.94147      200.9896 159.9236       93.54575 61.42469 28.51976 74.80224 23.48752 -13.37754      36.94645 
1 1 1 -20 -10 8  o 97.70438 20.58089 266.6566       93.09544 485.4025       216.6461 217.1170       103.0996 116.4167 35.61094 85.77812 24.13191 30.63854       43.01730 
1 1 1 -20 -10 9  o 36.75143 17.49624 -84.44327      84.47378 -150.3412      129.4372 -35.55288      111.4897 42.89132 20.73714 47.44909 21.74488 -4.557770      30.04778 
1 1 1 -20 -9  1  o 103.0823 23.84126 295.9194       115.1546 295.9194       115.1546 0.000000       0.000000 103.0823 23.84126 ?        ?        0.000000       23.84126 
1 1 1 -20 -9  2  o 254.8418 11.13165 1601.096       135.2975 1601.096       135.2975 0.000000       0.000000 254.8418 11.13165 ?        ?        0.000000       11.13165 
1 1 1 -20 -9  3  o 154.2539 15.43701 607.0638       112.3155 607.0638       112.3155 0.000000       0.000000 154.2539 15.43701 ?        ?        0.000000       15.43701 
1 1 1 -20 -9  4  o 177.7746 15.52374 806.7277       130.6172 806.7277       130.6172 0.000000       0.000000 177.7746 15.52374 ?        ?        0.000000       15.52374 
1 1 1 -20 -9  5  o 44.19359 17.86687 28.64118       58.44150 208.2703       119.5479 -27.76651      66.99199 84.55881 26.55207 37.80814 17.14377 46.75066       31.60571 
1 1 1 -20 -9  6  o 74.98750 18.26079 152.3562       64.84706 73.05059       120.3257 184.8187       76.98343 62.11715 25.44053 81.98573 19.85389 -19.86858      32.27069 
1 1 1 -20 -9  7  o 41.49041 18.57112 -16.12617      75.75229 -125.9005      198.6638 2.550092       81.94330 56.65900 26.93312 45.45714 19.87415 11.20186       33.47200 
1 1 1 -20 -9  8  o 65.07723 18.46293 116.4161       60.08985 261.9755       218.2430 104.4762       62.50580 87.82684 34.85788 61.82166 19.16698 26.00518       39.77996 
1 1 1 -20 -9  9  o 70.30885 24.21910 143.1857       98.63007 122.7168       190.4731 150.6849       115.2905 72.14011 30.91570 71.85086 26.04951 0.2892532      40.42719 
1 1 1 -20 -8  1  o 97.25520 30.39696 284.8486       156.8623 284.8486       156.8623 0.000000       0.000000 97.25520 30.39696 ?        ?        0.000000       30.39696 
1 1 1 -20 -8  2  f 186.6269 22.03943 940.5356       192.8560 940.5356       192.8560 0.000000       0.000000 186.6269 22.03943 ?        ?        0.000000       22.03943 
1 1 1 -20 -8  3  o 82.53625 26.38304 195.7207       117.5698 195.7207       117.5698 0.000000       0.000000 82.53625 26.38304 ?        ?        0.000000       26.38304 
1 1 1 -20 -8  4  o 50.39322 22.66997 -22.51059      114.4585 -22.51059      114.4585 0.000000       0.000000 50.39322 22.66997 ?        ?        0.000000       22.66997 
1 1 1 -20 -8  5  o 90.24213 22.41029 229.0653       96.24494 229.0653       96.24494 0.000000       0.000000 90.24213 22.41029 ?        ?        0.000000       22.41029 
1 1 1 -20 -8  6  o 130.1842 11.85845 425.0284       72.99720 556.5809       137.9736 373.8916       86.02272 142.7649 20.82789 120.1921 15.31782 22.57287       25.85415 
1 1 1 -20 -8  7  o 106.4875 16.24230 299.0203       80.07704 227.2032       184.4106 315.7087       88.89539 84.52816 32.47150 108.5342 17.74443 -24.00608      37.00356 
1 1 1 -20 -8  8  o 71.89160 22.38902 148.8724       85.18113 366.1490       309.9526 131.1217       88.59231 94.86102 39.99544 68.01300 22.96353 26.84802       46.11897 
1 1 1 -20 -8  9  o 112.4906 21.27217 359.5823       110.2128 481.3613       331.0377 344.4012       116.8808 101.0186 41.86732 108.3497 23.25910 -7.331154      47.89424 
1 1 1 -20 -7  1  o 147.6595 14.00749 550.9718       97.70239 550.9718       97.70239 0.000000       0.000000 147.6595 14.00749 ?        ?        0.000000       14.00749 
1 1 1 -20 -7  2  o 126.5852 17.83588 420.4679       104.9523 420.4679       104.9523 0.000000       0.000000 126.5852 17.83588 ?        ?        0.000000       17.83588 
1 1 1 -20 -7  3  f 114.0782 19.64842 349.7156       103.2949 349.7156       103.2949 0.000000       0.000000 114.0782 19.64842 ?        ?        0.000000       19.64842 
1 1 1 -20 -7  4  o 49.51320 22.91150 -62.00286      128.0707 -62.00286      128.0707 0.000000       0.000000 49.51320 22.91150 ?        ?        0.000000       22.91150 
1 1 1 -20 -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -7  6  o 38.43684 16.39784 7.484278       53.14906 -142.5907      113.8809 49.27584       60.09537 40.28218 19.46969 48.43922 18.55466 -8.157047      26.89506 
1 1 1 -20 -7  7  o 64.02386 19.81368 113.4051       66.82970 384.0352       296.6211 98.93284       68.59332 97.18168 39.88845 60.49125 20.20403 36.69043       44.71343 
1 1 1 -20 -7  8  o 52.50048 20.79617 57.63987       77.53574 13.64241       311.7057 60.54177       80.05188 72.72261 34.32145 53.39095 21.13662 19.33166       40.30779 
1 1 1 -20 -6  1  o 114.0975 18.35222 345.1665       96.71461 345.1665       96.71461 0.000000       0.000000 114.0975 18.35222 ?        ?        0.000000       18.35222 
1 1 1 -20 -6  2  o 86.86065 23.49640 214.8515       99.91295 214.8515       99.91295 0.000000       0.000000 86.86065 23.49640 ?        ?        0.000000       23.49640 
1 1 1 -20 -6  3  o 74.71841 23.37088 157.2890       92.70921 157.2890       92.70921 0.000000       0.000000 74.71841 23.37088 ?        ?        0.000000       23.37088 
1 1 1 -20 -6  4  o 43.95398 19.20423 0.4217162      76.40163 0.4217162      76.40163 0.000000       0.000000 43.95398 19.20423 ?        ?        0.000000       19.20423 
1 1 1 -20 -6  5  o 45.23032 20.48932 -26.14139      95.40866 -26.14139      95.40866 0.000000       0.000000 45.23032 20.48932 ?        ?        0.000000       20.48932 
1 1 1 -20 -6  6  o 40.99824 19.76501 -133.4946      115.5413 -133.4946      115.5413 0.000000       0.000000 40.99824 19.76501 ?        ?        0.000000       19.76501 
1 1 1 -20 -6  7  o 103.5744 17.03618 288.5413       81.42889 402.8255       222.7077 270.9054       87.48647 102.1375 36.30490 98.85715 19.20302 3.280319       41.07069 
1 1 1 -20 -6  8  o 68.87619 31.76330 44.10135       243.1222 44.10135       243.1222 0.000000       0.000000 68.87619 31.76330 ?        ?        0.000000       31.76330 
1 1 1 -20 -5  1  o 147.5056 23.21154 607.2833       158.2870 607.2833       158.2870 0.000000       0.000000 147.5056 23.21154 ?        ?        0.000000       23.21154 
1 1 1 -20 -5  2  f 133.5038 14.47438 456.3252       90.90880 456.3252       90.90880 0.000000       0.000000 133.5038 14.47438 ?        ?        0.000000       14.47438 
1 1 1 -20 -5  3  o 75.86943 25.00637 166.2350       105.1658 166.2350       105.1658 0.000000       0.000000 75.86943 25.00637 ?        ?        0.000000       25.00637 
1 1 1 -20 -5  4  o 54.11153 21.37212 60.41148       81.67123 60.41148       81.67123 0.000000       0.000000 54.11153 21.37212 ?        ?        0.000000       21.37212 
1 1 1 -20 -5  5  o 70.98188 24.02548 145.7821       96.97747 145.7821       96.97747 0.000000       0.000000 70.98188 24.02548 ?        ?        0.000000       24.02548 
1 1 1 -20 -5  6  o 91.26280 20.82826 237.8113       88.86700 237.8113       88.86700 0.000000       0.000000 91.26280 20.82826 ?        ?        0.000000       20.82826 
1 1 1 -20 -5  7  o 47.66535 20.96289 8.695096       92.38240 8.695096       92.38240 0.000000       0.000000 47.66535 20.96289 ?        ?        0.000000       20.96289 
1 1 1 -20 -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -4  2  o 44.89993 18.43173 28.45662       63.34523 28.45662       63.34523 0.000000       0.000000 44.89993 18.43173 ?        ?        0.000000       18.43173 
1 1 1 -20 -4  3  o 51.52306 19.91233 57.68512       69.64502 57.68512       69.64502 0.000000       0.000000 51.52306 19.91233 ?        ?        0.000000       19.91233 
1 1 1 -20 -4  4  o 61.22741 24.69671 85.69428       111.3774 85.69428       111.3774 0.000000       0.000000 61.22741 24.69671 ?        ?        0.000000       24.69671 
1 1 1 -20 -4  5  o 57.95644 21.89274 85.06420       82.94196 85.06420       82.94196 0.000000       0.000000 57.95644 21.89274 ?        ?        0.000000       21.89274 
1 1 1 -20 -4  6  o 88.73468 20.73818 227.7680       86.38828 227.7680       86.38828 0.000000       0.000000 88.73468 20.73818 ?        ?        0.000000       20.73818 
1 1 1 -20 -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -19 1  o 98.97272 18.08516 261.7206       82.42248 261.7206       82.42248 0.000000       0.000000 98.97272 18.08516 ?        ?        0.000000       18.08516 
1 1 1 -19 -18 1  o 64.98751 20.93322 112.1703       73.91325 112.1703       73.91325 0.000000       0.000000 64.98751 20.93322 ?        ?        0.000000       20.93322 
1 1 1 -19 -18 2  o 63.23970 26.12959 69.83720       128.4000 69.83720       128.4000 0.000000       0.000000 63.23970 26.12959 ?        ?        0.000000       26.12959 
1 1 1 -19 -18 3  o 47.44942 18.64140 41.34620       61.84242 13.72720       82.51074 76.74995       93.41812 47.46408 20.34443 59.29082 23.02141 -11.82674      30.72265 
1 1 1 -19 -18 4  o 56.40891 20.71030 76.08752       73.20816 -14.79496      112.0849 143.7036       96.67898 50.37550 22.56586 71.80848 23.98634 -21.43298      32.93270 
1 1 1 -19 -17 1  o 126.2994 23.41124 435.7898       136.1582 435.7898       136.1582 0.000000       0.000000 126.2994 23.41124 ?        ?        0.000000       23.41124 
1 1 1 -19 -17 2  o 159.0018 14.18516 636.1901       106.7001 636.1901       106.7001 0.000000       0.000000 159.0018 14.18516 ?        ?        0.000000       14.18516 
1 1 1 -19 -17 3  o 82.83230 20.26287 186.5940       79.57161 252.4813       110.3178 115.1402       114.8835 94.52613 24.28347 68.62241 25.79966 25.90372       35.43035 
1 1 1 -19 -17 4  o 86.24443 16.78325 196.0005       66.71049 184.7462       90.67342 209.2808       98.49723 81.26239 22.54728 86.09429 23.34642 -4.831902      32.45667 
1 1 1 -19 -17 5  o 48.04310 18.14580 48.62637       56.97655 -86.75507      193.3066 61.50673       59.62539 58.99498 27.58356 51.47063 18.72292 7.524353       33.33767 
1 1 1 -19 -17 6  o 63.12075 21.08345 106.2418       74.69438 169.5021       138.8937 80.50235       88.59653 77.30235 28.50163 59.12757 22.55846 18.17477       36.34869 
1 1 1 -19 -16 1  f 74.19101 22.91397 148.1924       89.43251 148.1924       89.43251 0.000000       0.000000 74.19101 22.91397 ?        ?        0.000000       22.91397 
1 1 1 -19 -16 2  o 66.45753 24.43473 105.8573       101.9656 105.8573       101.9656 0.000000       0.000000 66.45753 24.43473 ?        ?        0.000000       24.43473 
1 1 1 -19 -16 3  o 38.36773 17.06548 -15.93420      62.92069 -10.80120      79.24110 -24.69298      103.5111 43.86301 19.34784 48.34919 21.66980 -4.486176      29.05029 
1 1 1 -19 -16 4  o 59.84212 19.21612 92.45839       62.31791 167.4922       142.0703 74.58189       69.34519 79.02892 28.87735 56.26762 20.22892 22.76129       35.25777 
1 1 1 -19 -16 5  o 122.2396 15.41125 382.7630       88.06783 360.2616       134.8709 399.4887       116.2801 112.3000 25.68056 121.8451 20.70120 -9.545097      32.98531 
1 1 1 -19 -16 6  o 45.99332 20.24228 -4.854771      86.28519 -94.45586      229.8230 9.847473       93.09550 63.75424 29.89487 49.43141 21.40164 14.32283       36.76593 
1 1 1 -19 -16 7  o 83.52924 24.18882 201.0203       102.1278 211.9657       146.5486 190.6857       142.4016 84.07788 29.48886 80.76498 28.99414 3.312904       41.35520 
1 1 1 -19 -15 1  o 86.41387 22.00089 201.8322       91.11808 201.8322       91.11808 0.000000       0.000000 86.41387 22.00089 ?        ?        0.000000       22.00089 
1 1 1 -19 -15 2  o 112.9786 20.82960 339.2816       108.3644 339.2816       108.3644 0.000000       0.000000 112.9786 20.82960 ?        ?        0.000000       20.82960 
1 1 1 -19 -15 3  o 78.15054 16.21477 158.8938       58.59580 190.0426       97.83728 141.4717       73.17014 83.11778 23.55118 72.68987 20.28658 10.42792       31.08381 
1 1 1 -19 -15 4  o 55.43026 20.65827 67.18694       73.32613 175.7129       102.9047 -44.75476      104.5116 79.85848 24.56433 46.59355 21.23874 33.26493       32.47292 
1 1 1 -19 -15 5  o 289.1428 10.45383 2049.404       144.2716 1876.299       272.1245 2117.083       170.1532 266.1549 21.57047 292.5843 12.19083 -26.42938      24.77703 
1 1 1 -19 -15 6  o 40.35381 16.70694 16.28041       52.63584 -53.40678      224.5529 20.33196       54.14433 66.35891 30.57498 41.58903 17.05306 24.76988       35.00909 
1 1 1 -19 -15 7  o 77.69844 17.58972 161.1682       63.81372 75.46372       147.8041 180.8040       70.74727 66.43139 27.78882 82.00790 18.48777 -15.57651      33.37688 
1 1 1 -19 -15 8  o 244.9018 11.48827 1489.639       134.1353 1129.704       252.1072 1631.765       158.4196 196.7363 27.55837 254.9759 13.03904 -58.23962      30.48738 
1 1 1 -19 -15 9  o 183.6965 12.92733 850.3920       112.8070 809.9501       182.9353 875.2061       143.2948 170.2313 23.07086 183.4568 16.51416 -13.22559      28.37220 
1 1 1 -19 -14 1  o 145.5332 15.70982 533.0891       107.5753 533.0891       107.5753 0.000000       0.000000 145.5332 15.70982 ?        ?        0.000000       15.70982 
1 1 1 -19 -14 2  o 56.37602 22.81829 48.12868       95.44518 48.12868       95.44518 0.000000       0.000000 56.37602 22.81829 ?        ?        0.000000       22.81829 
1 1 1 -19 -14 3  o 119.5440 12.26585 354.9184       69.10934 281.7186       105.8220 409.3560       91.25800 102.1002 22.30452 127.2089 15.31291 -25.10867      27.05507 
1 1 1 -19 -14 4  o 51.47146 20.06587 48.75115       71.19581 6.008449       100.7885 91.32062       100.5840 51.37355 22.25537 63.86233 24.11218 -12.48877      32.81309 
1 1 1 -19 -14 5  o 172.6006 13.30098 742.8817       108.9115 952.1080       227.3001 680.5309       124.0830 185.2154 26.41707 163.6178 16.06965 21.59761       30.92079 
1 1 1 -19 -14 6  o 32.08984 14.44543 -19.15482      46.55964 33.26938       133.9101 -26.36392      49.65787 60.58812 25.94264 32.22430 14.66989 28.36383       29.80313 
1 1 1 -19 -14 7  o 175.5245 12.96212 769.3842       108.0059 742.2640       224.5261 777.5491       123.1960 157.9929 30.83214 175.3120 14.83784 -17.31903      34.21670 
1 1 1 -19 -14 8  o 170.7269 12.69169 729.4311       102.8519 709.3913       170.2881 740.9402       129.0498 160.7939 22.78944 169.8205 16.08674 -9.026596      27.89519 
1 1 1 -19 -14 9  o 125.5339 14.20087 402.2798       83.73358 370.0903       154.8766 415.5749       99.53477 109.9074 29.04282 125.9815 16.95579 -16.07414      33.63011 
1 1 1 -19 -14 10 o 65.55650 20.70777 117.7494       72.61041 356.4603       243.0189 94.35020       76.08598 99.33012 37.48471 60.36016 21.24187 38.96997       43.08504 
1 1 1 -19 -13 1  o 81.83389 19.98932 176.5117       77.52354 176.5117       77.52354 0.000000       0.000000 81.83389 19.98932 ?        ?        0.000000       19.98932 
1 1 1 -19 -13 2  o 78.79547 23.56705 165.9851       95.63748 165.9851       95.63748 0.000000       0.000000 78.79547 23.56705 ?        ?        0.000000       23.56705 
1 1 1 -19 -13 3  o 107.1183 16.95097 294.4285       83.92355 222.3748       135.6613 339.0984       106.8157 89.37856 28.31406 113.4977 20.43667 -24.11914      34.91910 
1 1 1 -19 -13 4  o 42.52736 17.86307 12.56180       61.46100 14.83348       80.91402 9.463478       94.49590 48.06190 20.35777 50.53998 21.71918 -2.478081      29.76846 
1 1 1 -19 -13 5  o 168.4461 13.03590 705.8095       104.1645 766.3131       227.1707 689.7021       117.2127 162.8733 30.28838 165.4822 14.97746 -2.608917      33.78921 
1 1 1 -19 -13 6  o 173.1964 12.53309 744.9009       103.0760 705.2238       213.2365 756.9990       117.7464 156.1306 29.65104 173.6321 14.31129 -17.50159      32.92411 
1 1 1 -19 -13 7  o 42.34185 18.47162 -3.518162      70.45075 -49.66529      121.3163 19.96293       86.53782 49.82366 22.77651 49.78897 21.06967 0.3469467E-01  31.02742 
1 1 1 -19 -13 8  o 71.42385 19.56397 137.7277       68.76182 116.6443       221.8695 139.9680       72.32280 78.51383 33.49960 71.86095 20.20984 6.652885       39.12366 
1 1 1 -19 -13 9  o 92.67190 20.83735 236.2003       90.07272 266.8231       145.5583 217.1975       114.6632 93.68031 29.28146 86.43020 25.79415 7.250107       39.02233 
1 1 1 -19 -13 10 o 108.6521 19.11011 318.4946       95.64554 294.2072       155.6109 333.2412       121.2540 96.59727 30.28782 107.7009 24.14657 -11.10358      38.73512 
1 1 1 -19 -13 11 o 46.60649 21.23065 -32.56527      104.2136 -94.93574      264.0444 -21.05686      113.4214 66.02340 31.28727 49.66771 22.43506 16.35569       38.49968 
1 1 1 -19 -12 1  o 84.01376 26.53282 188.6736       119.2116 188.6736       119.2116 0.000000       0.000000 84.01376 26.53282 ?        ?        0.000000       26.53282 
1 1 1 -19 -12 2  f 88.91859 27.36309 215.7585       127.6727 215.7585       127.6727 0.000000       0.000000 88.91859 27.36309 ?        ?        0.000000       27.36309 
1 1 1 -19 -12 3  o 185.3971 10.07365 838.2103       88.95365 862.3167       127.9339 815.6481       123.7684 186.1183 14.49180 181.0198 14.42042 5.098526       20.44409 
1 1 1 -19 -12 4  o 84.39732 18.01569 186.4175       70.47881 122.9580       100.9055 246.8663       98.48280 69.99105 24.47522 95.77715 21.97489 -25.78610      32.89274 
1 1 1 -19 -12 5  o 63.67308 22.10003 100.5488       82.18861 242.2415       187.3858 66.79769       91.45487 92.32319 33.24533 58.47401 22.75747 33.84918       40.28839 
1 1 1 -19 -12 6  o 54.64156 20.07260 66.75158       68.78457 -1.374716      117.5375 102.2355       84.82716 53.96484 23.69222 64.05571 22.43776 -10.09087      32.63088 
1 1 1 -19 -12 7  o 79.14696 17.29811 165.0454       63.62282 -50.86949      212.1207 186.3897       66.69344 65.34962 29.96524 84.28731 17.13512 -18.93768      34.51852 
1 1 1 -19 -12 8  f 98.19967 19.16895 256.8864       86.76366 267.8638       141.3256 250.2461       109.9161 95.38329 28.67621 94.32107 24.24360 1.062218       37.55099 
1 1 1 -19 -12 9  o 67.18253 23.98842 116.4951       97.33718 130.6726       230.1889 113.4080       107.4129 79.84804 34.09687 67.43151 25.02757 12.41653       42.29629 
1 1 1 -19 -12 10 o 172.5686 12.82341 748.3378       105.0409 897.1238       190.1112 682.9563       126.0243 180.4563 22.52485 162.2957 16.46980 18.16060       27.90382 
1 1 1 -19 -12 11 o 85.17953 19.66978 200.2649       78.48445 534.7573       277.6614 171.2189       81.82117 116.3782 40.60662 77.91596 21.34060 38.46220       45.87286 
1 1 1 -19 -11 1  o 149.9781 15.41292 562.2119       108.9438 562.2119       108.9438 0.000000       0.000000 149.9781 15.41292 ?        ?        0.000000       15.41292 
1 1 1 -19 -11 2  o 325.3622 14.11308 2613.958       219.0096 2613.958       219.0096 0.000000       0.000000 325.3622 14.11308 ?        ?        0.000000       14.11308 
1 1 1 -19 -11 3  o 185.9001 9.384864 840.1416       83.13979 829.7322       114.4540 851.7701       120.9714 183.2811 13.14923 185.4378 13.74275 -2.156693      19.02013 
1 1 1 -19 -11 4  o 120.6673 12.64763 361.4897       71.88091 302.7078       128.6961 388.1414       86.65749 104.5956 25.87920 124.2249 14.88730 -19.62936      29.85573 
1 1 1 -19 -11 5  o 112.6825 16.65160 325.3767       87.00748 346.8842       192.3327 319.8427       97.56113 107.3888 33.67258 110.5596 19.15086 -3.170837      38.73756 
1 1 1 -19 -11 6  o 109.3667 15.03793 304.0473       76.54933 269.3020       133.9643 320.8923       93.27769 96.98231 27.58495 110.9458 18.21739 -13.96346      33.05757 
1 1 1 -19 -11 7  o 62.81484 17.85552 103.9446       56.14668 134.6804       210.1030 101.5808       58.26570 80.09648 33.28893 62.16880 18.34579 17.92768       38.00948 
1 1 1 -19 -11 8  o 121.5303 15.85763 378.7002       89.94091 370.3724       150.7522 383.3027       112.0720 112.6243 28.09276 119.8361 20.28438 -7.211792      34.65053 
1 1 1 -19 -11 9  o 123.4243 15.36609 390.0352       88.71371 138.6322       252.8395 425.3305       94.73666 82.45821 35.48258 128.7644 15.71427 -46.30618      38.80660 
1 1 1 -19 -11 10 o 42.20970 19.22517 -34.90223      85.41837 -233.2703      156.1896 49.74369       102.0280 44.77921 21.90184 56.44361 23.30400 -11.66440      31.98073 
1 1 1 -19 -11 11 o 72.40281 24.94356 147.6109       104.6201 51.74500       281.7551 162.9423       112.6756 75.81535 34.67819 75.33948 25.88871 0.4758682      43.27589 
1 1 1 -19 -11 12 o 45.40741 20.81376 -38.87988      102.2209 264.9988       293.8761 -80.70692      109.0292 88.88220 38.25043 43.35121 20.41007 45.53099       43.35513 
1 1 1 -19 -10 1  o 76.77894 26.52739 149.1584       118.3589 149.1584       118.3589 0.000000       0.000000 76.77894 26.52739 ?        ?        0.000000       26.52739 
1 1 1 -19 -10 2  o 70.54682 26.28091 112.6271       118.6484 112.6271       118.6484 0.000000       0.000000 70.54682 26.28091 ?        ?        0.000000       26.28091 
1 1 1 -19 -10 3  o 55.25608 23.85061 8.011509       114.9219 8.011509       114.9219 0.000000       0.000000 55.25608 23.85061 ?        ?        0.000000       23.85061 
1 1 1 -19 -10 4  o 100.0170 14.44242 252.3105       67.06147 238.9413       96.62601 264.7346       93.14806 94.44888 21.83540 100.2429 20.13598 -5.794060      29.70257 
1 1 1 -19 -10 5  o 146.0887 13.43868 531.6578       92.80926 251.5197       200.9924 607.5751       104.6319 94.24702 34.36153 155.8916 14.19440 -61.64456      37.17789 
1 1 1 -19 -10 6  o 48.62455 19.60598 34.73465       70.16489 31.64058       195.0206 35.19471       75.20059 69.75616 30.57472 49.84470 20.22527 19.91146       36.65891 
1 1 1 -19 -10 7  f 197.7808 11.89969 967.5834       111.9991 1009.760       187.9229 944.3499       139.4766 195.9522 20.35582 193.3505 15.21096 2.601639       25.41127 
1 1 1 -19 -10 8  o 154.1941 14.55233 600.8936       106.0086 510.5134       247.3721 621.2253       117.3280 123.2006 38.11905 155.9640 15.95989 -32.76343      41.32529 
1 1 1 -19 -10 9  o 98.49139 15.45716 250.2465       70.39023 382.8818       161.0412 218.9217       78.26218 112.9484 29.50481 90.52378 18.70249 22.42463       34.93303 
1 1 1 -19 -10 10 o 99.68841 22.22213 276.9061       103.2055 437.1441       276.5006 250.9680       111.2454 109.1646 40.22009 93.42941 24.57916 15.73519       47.13587 
1 1 1 -19 -10 11 o 112.2910 16.72906 331.8344       87.07280 436.6320       294.7720 321.8161       91.13976 105.4187 40.90450 109.8024 17.98351 -4.383652      44.68316 
1 1 1 -19 -10 12 o 83.62765 18.73740 192.1906       73.05354 165.3570       182.4341 197.3151       79.72459 77.09561 31.42037 83.99374 20.11859 -6.898125      37.30948 
1 1 1 -19 -9  1  o 85.92229 19.25463 193.2268       77.13169 193.2268       77.13169 0.000000       0.000000 85.92229 19.25463 ?        ?        0.000000       19.25463 
1 1 1 -19 -9  2  o 62.27591 24.78241 66.83096       110.5937 66.83096       110.5937 0.000000       0.000000 62.27591 24.78241 ?        ?        0.000000       24.78241 
1 1 1 -19 -9  3  o 44.05299 19.53920 -18.54037      81.90355 -18.54037      81.90355 0.000000       0.000000 44.05299 19.53920 ?        ?        0.000000       19.53920 
1 1 1 -19 -9  4  o 101.8922 13.72348 260.4960       65.15372 240.1724       95.04462 278.5130       89.48873 94.81538 21.46818 103.4384 18.78759 -8.623070      28.52817 
1 1 1 -19 -9  5  o 77.14118 20.81777 159.3880       78.54267 281.7832       194.0795 135.4166       85.89037 98.09595 33.96535 71.55349 22.51131 26.54247       40.74805 
1 1 1 -19 -9  6  o 78.09391 19.65489 163.2003       73.31702 66.48082       214.3026 176.0216       78.02534 74.91975 32.45395 80.93478 20.22352 -6.015022      38.23937 
1 1 1 -19 -9  7  o 189.5508 10.74101 883.7158       96.93890 1006.621       184.3894 836.7708       113.9583 195.8801 19.96857 183.1845 13.09859 12.69559       23.88131 
1 1 1 -19 -9  8  o 120.4045 17.21577 376.6554       96.28331 412.5048       249.0785 370.3574       104.3987 110.3522 38.46269 118.3282 19.10495 -7.976021      42.94622 
1 1 1 -19 -9  9  o 121.6308 15.07540 378.3115       85.78869 203.0698       264.4384 398.9246       90.69399 88.14488 37.04012 124.6882 15.55116 -36.54331      40.17224 
1 1 1 -19 -9  10 o 167.4557 13.17931 705.4503       104.6619 845.4998       198.0566 651.1880       123.2814 173.5774 24.55097 158.6534 16.49368 14.92395       29.57688 
1 1 1 -19 -9  11 o 121.5305 15.82540 384.5326       89.76741 209.1003       347.4438 397.0808       92.92237 88.09766 39.57573 123.3209 16.14828 -35.22321      42.74348 
1 1 1 -19 -9  12 o 68.01981 24.49300 127.8792       101.7081 -6.584949      361.4744 139.4398       105.9902 76.51762 36.36070 70.26140 25.03808 6.256226       44.14754 
1 1 1 -19 -8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -8  2  o 180.2649 17.71774 823.2701       150.7252 823.2701       150.7252 0.000000       0.000000 180.2649 17.71774 ?        ?        0.000000       17.71774 
1 1 1 -19 -8  3  o 301.7166 10.84534 2222.500       156.1866 2222.500       156.1866 0.000000       0.000000 301.7166 10.84534 ?        ?        0.000000       10.84534 
1 1 1 -19 -8  4  o 204.6479 13.59434 1038.852       132.2528 1038.852       132.2528 0.000000       0.000000 204.6479 13.59434 ?        ?        0.000000       13.59434 
1 1 1 -19 -8  5  o 73.96782 16.71314 142.9128       57.70555 98.02339       82.76057 185.3857       80.50224 63.20915 22.16115 83.17025 20.40251 -19.96110      30.12273 
1 1 1 -19 -8  6  o 125.7865 13.65465 397.3145       80.79931 739.6331       222.9795 345.5718       86.69106 159.4590 30.35731 116.1701 16.03616 43.28889       34.33256 
1 1 1 -19 -8  7  o 130.5621 13.58372 428.7691       83.55174 423.7191       157.9421 430.7314       98.45597 120.8881 27.89473 129.5175 16.25756 -8.629440      32.28660 
1 1 1 -19 -8  8  o 134.5840 18.53789 475.6367       116.1134 350.8689       277.2121 502.1842       127.8711 102.2474 39.66924 137.3291 20.06866 -35.08164      44.45672 
1 1 1 -19 -8  9  o 57.75304 20.25832 82.78746       69.16418 24.20486       180.1357 92.91719       74.90559 65.61763 29.04699 60.56269 21.09356 5.054939       35.89799 
1 1 1 -19 -8  10 o 84.20527 25.02904 205.4379       108.1323 196.9414       322.2794 206.5157       114.7862 88.26839 38.97325 84.07560 25.95831 4.192795       46.82679 
1 1 1 -19 -8  11 o 55.00942 22.25340 56.14780       90.72378 181.1747       335.2931 46.27097       94.23915 85.55711 38.61683 54.08479 22.36984 31.47233       44.62812 
1 1 1 -19 -8  12 o 47.62781 21.03287 0.7691807      93.90287 52.98478       361.4672 -3.009718      97.24144 78.46632 37.01008 47.89581 21.26439 30.57051       42.68396 
1 1 1 -19 -7  1  f 88.82612 18.48776 205.6858       75.95417 205.6858       75.95417 0.000000       0.000000 88.82612 18.48776 ?        ?        0.000000       18.48776 
1 1 1 -19 -7  2  o 56.35818 20.30451 71.77968       69.90759 71.77968       69.90759 0.000000       0.000000 56.35818 20.30451 ?        ?        0.000000       20.30451 
1 1 1 -19 -7  3  o 147.6764 13.19464 541.4080       92.17692 541.4080       92.17692 0.000000       0.000000 147.6764 13.19464 ?        ?        0.000000       13.19464 
1 1 1 -19 -7  4  o 204.3471 19.83515 1081.197       191.3468 1081.197       191.3468 0.000000       0.000000 204.3471 19.83515 ?        ?        0.000000       19.83515 
1 1 1 -19 -7  5  o 101.1700 29.08657 297.8976       148.1707 297.8976       148.1707 0.000000       0.000000 101.1700 29.08657 ?        ?        0.000000       29.08657 
1 1 1 -19 -7  6  o 44.71874 18.44403 22.55423       63.82164 261.3355       255.8347 6.708143       65.90530 94.72047 37.69303 42.60688 18.22061 52.11358       41.86592 
1 1 1 -19 -7  7  o 52.38838 19.83092 58.01719       68.13779 81.44406       158.8515 52.73502       75.42933 68.92210 28.81810 52.65546 20.61707 16.26664       35.43369 
1 1 1 -19 -7  8  o 106.9728 19.97356 308.1438       98.39393 21.11450       292.6727 344.7190       104.4750 77.24531 35.33656 113.2494 20.02860 -36.00407      40.61795 
1 1 1 -19 -7  9  o 98.46954 23.83513 275.5188       110.9912 -61.54857      307.0403 326.1852       119.0411 73.54488 34.50748 107.3938 23.81014 -33.84892      41.92480 
1 1 1 -19 -7  10 o 53.52076 22.02335 44.85382       90.71839 -101.5834      194.8324 85.39064       102.5086 57.93412 27.27826 61.58549 24.05767 -3.651379      36.37135 
1 1 1 -19 -7  11 o 171.2126 13.23801 744.2244       107.5184 625.4499       233.0425 776.3438       121.1873 133.5254 35.78288 173.6979 14.73215 -40.17249      38.69691 
1 1 1 -19 -7  12 o 97.98309 16.06768 255.1790       72.66180 -41.29240      156.1976 337.0544       82.08424 54.76809 25.32889 113.1752 15.58376 -58.40713      29.73897 
1 1 1 -19 -6  1  o 45.05727 20.01482 -19.42287      86.26398 -19.42287      86.26398 0.000000       0.000000 45.05727 20.01482 ?        ?        0.000000       20.01482 
1 1 1 -19 -6  2  o 67.64058 22.12274 117.6939       82.37436 117.6939       82.37436 0.000000       0.000000 67.64058 22.12274 ?        ?        0.000000       22.12274 
1 1 1 -19 -6  3  o 83.75198 20.97952 188.4645       83.81690 188.4645       83.81690 0.000000       0.000000 83.75198 20.97952 ?        ?        0.000000       20.97952 
1 1 1 -19 -6  4  o 147.3254 12.92745 540.5159       90.13209 540.5159       90.13209 0.000000       0.000000 147.3254 12.92745 ?        ?        0.000000       12.92745 
1 1 1 -19 -6  5  o 47.01483 20.39081 2.694493       84.80765 2.694493       84.80765 0.000000       0.000000 47.01483 20.39081 ?        ?        0.000000       20.39081 
1 1 1 -19 -6  6  o 106.0123 24.80556 317.7934       123.4790 141.8861       263.3349 367.3712       139.8009 83.74153 36.12463 113.1308 26.34139 -29.38923      44.70859 
1 1 1 -19 -6  7  o 175.2047 12.95534 768.7511       107.7506 0.000000       0.000000 768.7511       107.7506 ?        ?        175.2047 12.95534 0.000000       12.95534 
1 1 1 -19 -6  8  o 85.79176 19.03633 199.0167       76.03818 278.5226       127.4976 155.1275       94.72855 97.26606 26.63900 74.53900 23.66570 22.72706       35.63287 
1 1 1 -19 -6  9  o 69.41369 22.29331 132.7133       83.87229 204.3228       131.9911 84.21641       108.6216 83.04016 28.02935 62.29139 24.63344 20.74877       37.31556 
1 1 1 -19 -6  10 f 86.06018 20.46130 206.6261       82.94672 167.7547       138.8867 228.1776       103.4154 76.34328 28.43532 88.46915 23.89322 -12.12587      37.14100 
1 1 1 -19 -6  11 o 78.28181 20.62547 173.8310       78.25825 137.5755       151.2478 187.0860       91.45170 71.78165 28.84060 80.07453 22.79673 -8.292885      36.76236 
1 1 1 -19 -6  12 o 110.1171 14.47812 316.5497       74.37640 529.8993       181.3541 273.4090       81.55013 126.9681 30.29921 100.2422 17.66130 26.72594       35.07084 
1 1 1 -19 -5  1  f 46.26633 19.95509 3.095972       80.32749 3.095972       80.32749 0.000000       0.000000 46.26633 19.95509 ?        ?        0.000000       19.95509 
1 1 1 -19 -5  2  o 109.0881 17.41034 307.7065       87.75099 307.7065       87.75099 0.000000       0.000000 109.0881 17.41034 ?        ?        0.000000       17.41034 
1 1 1 -19 -5  3  o 89.71870 19.22438 214.1624       79.97920 214.1624       79.97920 0.000000       0.000000 89.71870 19.22438 ?        ?        0.000000       19.22438 
1 1 1 -19 -5  4  o 45.79033 19.57004 10.11075       75.94492 10.11075       75.94492 0.000000       0.000000 45.79033 19.57004 ?        ?        0.000000       19.57004 
1 1 1 -19 -5  5  o 103.0708 19.00241 282.7879       90.18901 282.7879       90.18901 0.000000       0.000000 103.0708 19.00241 ?        ?        0.000000       19.00241 
1 1 1 -19 -5  6  o 52.94749 19.01229 66.21927       61.23390 60.75267       81.68372 73.23263       92.52090 54.99846 21.47804 58.82145 22.89056 -3.822987      31.38923 
1 1 1 -19 -5  7  o 161.2681 14.86654 663.2175       113.3324 709.4277       211.4413 644.5898       134.2453 153.5798 29.87273 156.5372 18.28180 -2.957321      35.02291 
1 1 1 -19 -5  8  o 105.6660 20.35917 305.0720       99.12007 284.3777       228.5482 309.8661       110.0039 93.11082 36.04819 105.0595 22.57400 -11.94868      42.53301 
1 1 1 -19 -5  9  o 216.1365 14.07111 1188.530       144.6097 0.000000       0.000000 1188.530       144.6097 ?        ?        216.1365 14.07111 0.000000       14.07111 
1 1 1 -19 -5  10 o 119.9645 17.57270 385.3916       97.79803 294.7357       169.9975 430.2371       119.5649 93.47778 31.80765 124.2858 20.86049 -30.80801      38.03797 
1 1 1 -19 -5  11 o 82.57291 21.41494 197.2830       85.24447 102.6275       252.7116 209.4361       90.55167 73.84806 33.41022 84.65625 22.12946 -10.80819      40.07438 
1 1 1 -19 -4  1  o 56.72855 22.33593 60.36319       88.95493 60.36319       88.95493 0.000000       0.000000 56.72855 22.33593 ?        ?        0.000000       22.33593 
1 1 1 -19 -4  2  o 61.16769 24.01257 75.72315       102.5468 75.72315       102.5468 0.000000       0.000000 61.16769 24.01257 ?        ?        0.000000       24.01257 
1 1 1 -19 -4  3  o 135.0210 15.02912 463.9985       95.37362 463.9985       95.37362 0.000000       0.000000 135.0210 15.02912 ?        ?        0.000000       15.02912 
1 1 1 -19 -4  4  o 121.7536 15.13177 379.5370       86.18540 379.5370       86.18540 0.000000       0.000000 121.7536 15.13177 ?        ?        0.000000       15.13177 
1 1 1 -19 -4  5  o 63.94103 20.95097 108.7235       73.86413 108.7235       73.86413 0.000000       0.000000 63.94103 20.95097 ?        ?        0.000000       20.95097 
1 1 1 -19 -4  6  o 75.02467 20.89385 155.8969       77.70521 155.8969       77.70521 0.000000       0.000000 75.02467 20.89385 ?        ?        0.000000       20.89385 
1 1 1 -19 -4  7  o 263.9088 7.870352 1696.181       99.19069 1461.341       126.4504 2071.822       159.9268 242.8723 10.91807 288.6080 11.61428 -45.73578      15.94038 
1 1 1 -19 -4  8  o 33.56114 15.45146 -34.31059      57.19342 -155.6027      115.6996 4.912842       65.79430 39.95701 19.38659 41.68489 18.01978 -1.727882      26.46795 
1 1 1 -19 -4  9  o 73.36166 20.86907 152.8284       76.66974 434.9326       227.8489 116.8077       81.41755 107.1653 36.81488 64.94418 22.01359 42.22116       42.89445 
1 1 1 -19 -4  10 o 229.7895 12.03275 1333.289       131.7308 1270.464       322.5442 1345.867       144.3154 186.9319 37.39777 229.6384 13.20060 -42.70642      39.65916 
1 1 1 -19 -4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -3  4  o 35.57957 16.08172 -22.99656      58.38808 -22.99656      58.38808 0.000000       0.000000 35.57957 16.08172 ?        ?        0.000000       16.08172 
1 1 1 -19 -3  5  o 66.62749 18.99520 120.7970       63.45001 120.7970       63.45001 0.000000       0.000000 66.62749 18.99520 ?        ?        0.000000       18.99520 
1 1 1 -19 -3  6  o 39.56200 17.43355 -6.719319      64.18808 -6.719319      64.18808 0.000000       0.000000 39.56200 17.43355 ?        ?        0.000000       17.43355 
1 1 1 -19 -3  7  o 69.27332 21.27196 134.7199       77.20930 134.7199       77.20930 0.000000       0.000000 69.27332 21.27196 ?        ?        0.000000       21.27196 
1 1 1 -19 -3  8  f 71.83626 22.50917 149.2393       85.95981 -153.2796      195.5709 221.6768       95.69947 53.91132 25.92003 87.03338 22.74927 -33.12206      34.48735 
1 1 1 -19 -3  9  o 55.74984 19.46594 81.98516       63.81404 13.47360       181.0939 91.69853       68.18784 61.48354 27.99953 58.29885 20.13516 3.184681       34.48765 
1 1 1 -19 -3  10 o 99.33383 16.39363 266.4050       75.14048 28.63209       210.3880 301.1692       80.44620 64.60706 29.70490 105.6792 16.45812 -41.07217      33.95955 
1 1 1 -19 -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -2  6  o 65.25138 20.37400 118.8052       70.48942 118.8052       70.48942 0.000000       0.000000 65.25138 20.37400 ?        ?        0.000000       20.37400 
1 1 1 -19 -2  7  o 30.89060 14.61113 -55.18853      57.07502 -55.18853      57.07502 0.000000       0.000000 30.89060 14.61113 ?        ?        0.000000       14.61113 
1 1 1 -19 -2  8  o 42.23545 17.97436 16.00029       63.58598 16.00029       63.58598 0.000000       0.000000 42.23545 17.97436 ?        ?        0.000000       17.97436 
1 1 1 -19 -2  9  o 78.96708 20.17782 180.8583       76.45025 64.26498       171.5647 209.7457       85.39740 63.42961 28.19813 84.45694 21.18786 -21.02733      35.27123 
1 1 1 -19 -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -20 1  o 130.8879 21.59981 467.6013       130.4524 467.6013       130.4524 0.000000       0.000000 130.8879 21.59981 ?        ?        0.000000       21.59981 
1 1 1 -18 -20 2  o 69.66443 23.60004 132.2764       93.57450 132.2764       93.57450 0.000000       0.000000 69.66443 23.60004 ?        ?        0.000000       23.60004 
1 1 1 -18 -19 1  o 91.21931 21.99506 227.7433       94.79789 227.7433       94.79789 0.000000       0.000000 91.21931 21.99506 ?        ?        0.000000       21.99506 
1 1 1 -18 -19 2  o 48.06061 20.06182 23.91834       76.79296 23.91834       76.79296 0.000000       0.000000 48.06061 20.06182 ?        ?        0.000000       20.06182 
1 1 1 -18 -19 3  o 47.23459 17.36276 48.83778       51.47940 -120.4440      107.2914 99.46441       58.67448 40.71190 19.47410 61.33476 18.48553 -20.62286      26.85061 
1 1 1 -18 -19 4  o 125.3449 11.23778 390.7457       66.62958 451.2336       98.40464 339.5373       90.54249 132.3468 15.86828 113.9023 17.15913 18.44455       23.37174 
1 1 1 -18 -19 5  o 221.4588 12.11831 1222.688       127.8160 1242.938       196.2341 1207.766       168.4488 216.8290 19.12578 216.4598 16.39931 0.3691711      25.19390 
1 1 1 -18 -18 1  o 88.77284 18.24096 206.9491       74.82629 206.9491       74.82629 0.000000       0.000000 88.77284 18.24096 ?        ?        0.000000       18.24096 
1 1 1 -18 -18 2  o 64.07401 16.44785 107.3202       50.63724 229.5231       88.88937 48.61061       61.61175 92.51988 20.62274 49.53231 18.83240 42.98757       27.92770 
1 1 1 -18 -18 3  o 85.71186 19.76857 196.4798       79.35476 215.9748       134.3691 186.0388       98.33496 87.35148 28.23208 82.20086 23.71477 5.150620       36.87059 
1 1 1 -18 -18 4  o 210.3114 9.473101 1080.453       95.00512 1041.593       133.3734 1120.481       135.3638 204.0915 13.74920 211.9202 13.42955 -7.828659      19.21961 
1 1 1 -18 -18 5  o 48.38755 21.44633 -11.24482      98.49722 -52.95119      184.6731 5.336405       116.4423 60.76209 27.89784 54.04813 23.65923 6.713959       36.57935 
1 1 1 -18 -18 6  o 55.32877 22.25102 54.14247       90.11877 -37.52339      117.3335 186.0032       140.7266 49.66393 22.58605 80.89960 28.84834 -31.23568      36.63818 
1 1 1 -18 -18 7  o 62.91867 25.52192 77.73859       119.7003 218.3138       214.9538 14.55233       144.1126 86.42233 34.49765 59.23341 26.11131 27.18892       43.26533 
1 1 1 -18 -17 1  o 38.75860 17.91304 -54.00213      77.93404 -54.00213      77.93404 0.000000       0.000000 38.75860 17.91304 ?        ?        0.000000       17.91304 
1 1 1 -18 -17 2  f 49.78723 19.93568 37.75599       72.01078 120.3288       98.43555 -57.31175      105.6210 69.27654 24.17733 45.97985 21.10614 23.29668       32.09381 
1 1 1 -18 -17 3  o 99.58338 14.97516 252.0535       69.09103 242.7500       86.31155 268.6489       115.2759 95.84628 19.50023 98.61299 24.54750 -2.766716      31.35026 
1 1 1 -18 -17 4  o 153.6262 11.52872 582.1181       84.05731 507.3500       121.9464 649.8010       116.0246 139.9101 18.69878 160.5359 15.30202 -20.62582      24.16187 
1 1 1 -18 -17 5  o 164.8190 12.76712 674.8645       99.81857 580.8931       152.1226 745.9178       132.2781 147.3473 22.29031 171.3194 16.34802 -23.97209      27.64264 
1 1 1 -18 -17 6  o 34.98943 16.41592 -62.25327      69.46410 -251.9944      186.6042 -31.73071      74.84299 50.23106 24.42865 39.99274 18.12885 10.23832       30.42062 
1 1 1 -18 -17 7  o 133.2088 17.45482 461.1642       108.4904 409.2037       155.5470 510.3874       151.3944 118.3054 27.94858 135.5384 24.25411 -17.23306      37.00520 
1 1 1 -18 -17 8  o 116.0526 22.77866 373.6508       121.8694 -20.09392      241.7647 507.7842       141.1088 69.65423 31.95819 135.9428 22.49771 -66.28854      39.08290 
1 1 1 -18 -17 9  o 40.43333 18.76840 -56.00032      86.95524 -11.96881      142.0794 -82.37045      109.9526 56.33441 25.30720 43.91248 20.61845 12.42193       32.64315 
1 1 1 -18 -16 1  f 86.12001 26.52068 199.5000       119.9067 199.5000       119.9067 0.000000       0.000000 86.12001 26.52068 ?        ?        0.000000       26.52068 
1 1 1 -18 -16 2  o 117.3444 12.56904 341.0678       69.41628 395.4713       87.05632 246.0923       115.0251 125.6601 14.77273 95.04273 24.98827 30.61740       29.02839 
1 1 1 -18 -16 3  o 158.5640 11.67984 618.2355       87.92072 679.7236       138.2668 576.4968       113.9179 163.2998 18.00893 151.2639 15.99443 12.03593       24.08617 
1 1 1 -18 -16 4  o 155.3107 12.01718 595.1164       88.53659 627.1878       140.4213 573.9538       114.0666 155.8282 19.25796 150.6861 16.08176 5.142120       25.08968 
1 1 1 -18 -16 5  o 60.18679 20.70175 88.93619       72.05352 79.72464       113.0150 95.24480       93.52701 63.88762 25.16949 63.89769 23.41701 -0.1007843E-01 34.37818 
1 1 1 -18 -16 6  o 57.61433 22.18058 67.06155       86.17546 -86.04553      205.1160 99.87900       94.96297 62.67683 29.00017 64.79433 23.61959 -2.117500      37.40180 
1 1 1 -18 -16 7  o 97.97381 15.14190 245.2530       68.64043 224.9292       143.5764 251.2744       78.14981 88.77023 29.21640 98.29955 17.25836 -9.529320      33.93301 
1 1 1 -18 -16 8  o 67.44207 19.23519 121.4310       65.05048 210.5717       140.3641 97.04883       73.40983 85.75816 28.90469 61.72135 20.90317 24.03681       35.67104 
1 1 1 -18 -16 9  o 51.34887 19.49397 55.40168       65.95630 24.02683       227.1396 58.29079       68.92619 71.26532 32.00775 52.46200 19.92534 18.80332       37.70299 
1 1 1 -18 -16 10 o 118.7712 14.79791 361.8524       82.20971 312.0851       150.9725 382.8294       98.01590 100.7327 29.47883 120.6504 17.50302 -19.91771      34.28348 
1 1 1 -18 -15 1  o 189.3680 14.11559 885.1437       126.8758 885.1437       126.8758 0.000000       0.000000 189.3680 14.11559 ?        ?        0.000000       14.11559 
1 1 1 -18 -15 2  o 70.65112 17.91613 129.4122       60.59375 153.8999       74.77500 82.57737       103.4112 76.66026 20.14359 63.93806 24.37700 12.72220       31.62282 
1 1 1 -18 -15 3  o 58.18867 18.42188 84.62920       57.43542 119.7375       124.1545 75.06987       64.78455 72.45930 26.90481 56.59661 19.62232 15.86269       33.30021 
1 1 1 -18 -15 4  o 35.85744 16.58704 -49.29855      67.04276 -89.54519      99.11470 -15.35257      91.02642 41.67035 19.56893 46.93310 20.71792 -5.262749      28.49869 
1 1 1 -18 -15 5  f 77.18435 17.40292 155.3209       62.68020 144.9314       183.9274 156.6860       66.67111 80.95405 32.04167 77.27497 18.32582 3.679077       36.91212 
1 1 1 -18 -15 6  o 40.09816 16.41791 17.48677       50.09448 -171.6643      129.5941 50.71468       54.31657 43.32926 20.89969 48.67216 17.84416 -5.342903      27.48110 
1 1 1 -18 -15 7  o 63.38301 23.25667 93.75033       92.29469 92.70059       224.1061 93.96474       101.2827 78.53060 33.59161 64.50375 24.23008 14.02686       41.41851 
1 1 1 -18 -15 8  o 185.5424 12.74237 854.4195       112.3458 671.6696       187.5213 956.7408       140.3153 155.6233 26.12900 194.9151 15.17698 -39.29182      30.21697 
1 1 1 -18 -15 9  o 57.13912 23.17977 53.16006       98.74967 181.7775       217.4427 19.74096       110.8389 85.23051 34.46139 54.87606 23.55156 30.35445       41.74043 
1 1 1 -18 -15 10 o 85.71243 22.28690 204.2576       92.16786 249.0864       143.1651 172.5264       120.4487 91.47560 29.09955 78.47713 26.77253 12.99847       39.54178 
1 1 1 -18 -15 11 o 132.3025 18.65443 464.2380       114.7225 563.1358       241.3587 435.3727       130.3941 127.7328 37.24277 125.3002 22.59819 2.432564       43.56263 
1 1 1 -18 -14 1  o 223.1641 13.48158 1223.543       143.1671 1223.543       143.1671 0.000000       0.000000 223.1641 13.48158 ?        ?        0.000000       13.48158 
1 1 1 -18 -14 2  o 110.4212 15.71337 306.5748       80.61416 267.9624       121.7931 336.6805       107.5433 99.72424 25.46083 114.0082 20.48338 -14.28400      32.67755 
1 1 1 -18 -14 3  o 170.1156 10.57644 705.1025       85.59301 760.5418       118.0565 643.6675       124.2765 175.4043 14.19930 160.3654 16.44208 15.03893       21.72469 
1 1 1 -18 -14 4  o 93.99648 17.44095 226.6725       75.49226 157.6108       113.0807 282.2000       101.3968 78.18948 25.93665 103.7167 21.16611 -25.52718      33.47706 
1 1 1 -18 -14 5  o 128.5234 13.63034 410.4326       82.47708 359.8955       198.3178 421.0013       90.69217 111.2278 34.08036 129.7189 14.89358 -18.49110      37.19260 
1 1 1 -18 -14 6  o 125.5209 14.37428 394.4525       84.70616 401.3095       144.2098 390.8406       104.6646 121.0984 25.70452 123.2669 18.31598 -2.168465      31.56259 
1 1 1 -18 -14 7  o 55.11634 18.73940 73.55372       59.00372 115.4887       132.8953 63.25773       65.84991 71.80868 27.57049 53.67674 19.65260 18.13194       33.85789 
1 1 1 -18 -14 8  o 131.9519 13.65503 435.7910       84.89901 394.1354       157.5373 452.8406       100.7870 117.2828 28.40120 133.3864 16.13198 -16.10360      32.66296 
1 1 1 -18 -14 9  o 77.03847 18.39766 157.4234       66.82504 154.5152       133.9736 158.3866       77.10095 77.11642 28.06317 76.67682 20.59691 0.4395981      34.81055 
1 1 1 -18 -14 10 o 99.04639 20.36424 263.5512       93.20753 219.3113       146.6070 293.5638       120.7534 87.36497 29.54040 102.1362 24.94725 -14.77119      38.66523 
1 1 1 -18 -14 11 o 65.88038 24.80162 104.5285       106.2441 1.832614       236.5784 130.4723       118.9093 70.86758 32.16695 71.22592 26.35188 -0.3583374     41.58287 
1 1 1 -18 -14 12 o 91.38754 22.63933 235.5892       98.39940 172.3447       155.6669 277.6766       126.9875 78.70311 29.93184 96.82825 26.61233 -18.12514      40.05161 
1 1 1 -18 -13 1  o 273.3697 12.33716 1825.034       160.8249 1825.034       160.8249 0.000000       0.000000 273.3697 12.33716 ?        ?        0.000000       12.33716 
1 1 1 -18 -13 2  o 239.1570 8.973454 1383.765       102.4189 1364.728       145.1005 1402.667       144.5853 236.0051 12.90910 239.3744 12.67914 -3.369293      18.09435 
1 1 1 -18 -13 3  o 116.4798 13.32780 336.1335       72.88473 267.4000       100.4726 412.4785       105.8897 100.9679 21.47512 127.5552 17.85207 -26.58736      27.92629 
1 1 1 -18 -13 4  f 96.09358 14.75547 232.1307       65.62505 532.8152       184.7057 188.6902       70.20567 139.6248 28.63186 85.55910 17.74572 54.06570       33.68522 
1 1 1 -18 -13 5  o 36.97540 16.83104 -35.69148      65.34514 -0.1935165E-05 114.1674 -53.08063      79.68913 54.46885 23.64091 39.60891 18.23691 14.85993       29.85762 
1 1 1 -18 -13 6  o 264.2873 12.55995 1714.147       158.2442 1808.967       245.7104 1646.945       206.8546 266.8210 19.39413 256.3186 16.97581 10.50241       25.77422 
1 1 1 -18 -13 7  o 239.5558 12.16147 1409.987       138.8282 1469.127       211.6058 1365.294       183.9514 240.3046 18.56242 233.0099 16.62195 7.294708       24.91692 
1 1 1 -18 -13 8  o 96.72528 21.88674 251.8226       98.83997 383.4467       209.6698 214.2150       112.0742 112.1553 35.15609 88.07372 25.28903 24.08158       43.30688 
1 1 1 -18 -13 9  o 84.49255 21.51813 193.4272       87.14507 231.0278       136.9543 167.8453       112.9648 90.13073 28.43548 78.63634 25.91696 11.49438       38.47421 
1 1 1 -18 -13 10 o 112.4566 16.40995 325.1481       85.62813 185.0353       231.8672 347.2745       92.14152 86.88477 35.41772 115.9285 17.14089 -29.04376      39.34748 
1 1 1 -18 -13 11 o 57.97441 19.60700 84.39627       64.58701 258.8716       140.0869 37.29683       72.78439 93.99054 28.61303 49.43971 19.95654 44.55083       34.88509 
1 1 1 -18 -13 12 o 58.66355 20.48353 86.24332       70.66037 -397.4740      256.5276 125.9573       73.50382 54.71905 27.01847 68.15191 20.72200 -13.43286      34.04995 
1 1 1 -18 -13 13 o 40.97114 17.92300 -2.715408      66.72642 -197.3864      277.2125 9.257297       68.74771 63.79189 30.71869 43.32106 18.56950 20.47083       35.89519 
1 1 1 -18 -12 1  o 118.8495 20.80774 364.7321       113.9255 364.7321       113.9255 0.000000       0.000000 118.8495 20.80774 ?        ?        0.000000       20.80774 
1 1 1 -18 -12 2  o 258.1326 8.629217 1609.910       106.3437 1389.745       152.6571 1817.479       148.2262 237.9821 13.47230 273.2338 11.37189 -35.25168      17.63016 
1 1 1 -18 -12 3  o 41.65388 17.02894 18.01340       53.79053 -0.6366204     67.93626 49.35198       88.06466 42.71993 18.38783 55.82853 22.14764 -13.10860      28.78594 
1 1 1 -18 -12 4  o 156.2995 12.72071 600.6409       94.23441 564.1375       200.8674 610.9421       106.7056 142.7813 30.36121 157.0499 14.37064 -14.26862      33.59045 
1 1 1 -18 -12 5  o 241.1633 10.20052 1413.082       117.3438 1623.852       228.3951 1337.493       136.7763 253.6748 18.96956 233.7648 12.28145 19.91008       22.59819 
1 1 1 -18 -12 6  o 81.80197 15.13155 170.0912       56.99825 184.9817       116.3260 165.3866       65.38525 83.42432 26.19125 79.94720 17.58566 3.477127       31.54738 
1 1 1 -18 -12 7  o 37.74554 17.78297 -81.87525      83.02055 36.18206       190.7482 -109.4653      92.21265 71.18324 30.72649 38.17312 18.20300 33.01011       35.71367 
1 1 1 -18 -12 8  o 183.8619 13.05239 836.2001       113.9876 910.1497       223.4514 810.1875       132.5280 183.0983 26.27858 179.6969 15.57998 3.401398       30.54995 
1 1 1 -18 -12 9  o 173.3693 12.59914 744.1651       103.7164 760.6313       169.6512 734.3380       131.0611 170.0479 21.33629 170.2724 16.29853 -0.2245636     26.84920 
1 1 1 -18 -12 10 o 137.5967 15.01892 478.7801       97.19726 446.1936       156.5312 499.2291       123.9992 125.6989 26.86227 138.1923 19.29356 -12.49342      33.07300 
1 1 1 -18 -12 11 o 134.1307 18.09689 467.6213       113.0908 554.3583       257.2654 446.8458       125.9083 128.8958 38.67641 129.2892 21.09648 -0.3933868     44.05594 
1 1 1 -18 -12 12 o 140.9323 13.70366 500.3024       91.16824 463.7184       181.5217 512.6437       105.4302 123.7184 30.80754 141.4843 15.85913 -17.76585      34.64991 
1 1 1 -18 -12 13 o 77.42667 20.89197 166.0220       79.11002 -68.68182      287.7393 185.2140       82.28093 71.12293 33.38195 81.74220 20.95756 -10.61927      39.41540 
1 1 1 -18 -12 14 o 113.3165 18.08934 343.0291       94.70637 -4.304612      310.4440 378.6712       99.44693 74.85429 34.98466 119.2053 18.01083 -44.35105      39.34865 
1 1 1 -18 -11 1  o 124.6150 13.79177 384.2841       80.79358 384.2841       80.79358 0.000000       0.000000 124.6150 13.79177 ?        ?        0.000000       13.79177 
1 1 1 -18 -11 2  o 226.4931 8.629148 1239.720       93.26873 1182.557       130.7583 1298.927       133.0761 219.8981 12.48903 230.6476 12.11064 -10.74953      17.39664 
1 1 1 -18 -11 3  o 39.95966 15.98543 20.98444       46.25554 -64.30696      117.3141 36.68493       50.33318 48.85295 22.35725 44.78522 17.02302 4.067722       28.10035 
1 1 1 -18 -11 4  o 177.6167 11.80405 771.6547       99.66712 749.2193       201.5524 778.9164       114.6681 168.0827 25.91345 177.8028 13.59254 -9.720123      29.26199 
1 1 1 -18 -11 5  o 104.3089 16.42455 275.6731       79.20179 240.6850       178.2573 284.2791       88.40745 94.66042 32.56133 105.3145 18.21779 -10.65408      37.31123 
1 1 1 -18 -11 6  o 70.59274 15.92183 128.0519       52.45087 151.9170       114.0604 121.6520       59.06658 77.20739 26.05604 68.51569 17.85445 8.691704       31.58636 
1 1 1 -18 -11 7  o 180.4086 12.58215 800.3860       107.8425 766.4382       214.1992 811.9129       124.8157 168.0867 27.61285 180.8645 14.55756 -12.77783      31.21525 
1 1 1 -18 -11 8  o 49.92630 20.26827 32.88537       75.56356 -50.75892      121.6089 85.49059       96.44100 50.60617 23.00646 62.97326 23.64624 -12.36708      32.99155 
1 1 1 -18 -11 9  o 254.5349 10.99806 1586.457       133.5198 1561.844       251.4017 1596.128       157.5811 244.3280 21.74928 254.1091 13.01441 -9.781143      25.34574 
1 1 1 -18 -11 10 o 136.8597 13.49073 468.4051       87.12476 457.1530       164.8673 472.7650       102.6250 126.6781 27.97097 136.2821 16.05889 -9.604019      32.25311 
1 1 1 -18 -11 11 o 69.53584 24.69446 123.4539       103.0186 -70.78919      259.8893 159.6648       112.2109 70.28825 32.56432 76.69373 25.84388 -6.405479      41.57331 
1 1 1 -18 -11 12 o 144.6454 15.73971 534.0922       107.0920 567.5614       186.1270 517.5288       130.9365 139.5555 28.85051 139.6119 20.20353 -0.5645752E-01 35.22123 
1 1 1 -18 -11 13 o 70.20166 24.33365 132.5285       99.62632 219.0937       179.2958 93.86359       119.8276 86.19415 32.26735 65.44242 25.87499 20.75173       41.36057 
1 1 1 -18 -11 14 o 101.1971 25.02705 299.0322       120.4004 471.2994       313.9407 269.3253       130.3691 108.2592 42.15551 94.38503 27.32848 13.87422       50.23876 
1 1 1 -18 -11 15 o 130.4375 19.14283 460.4032       115.8258 606.4857       207.9208 394.6726       139.4706 136.2111 32.40213 115.1113 25.96350 21.09982       41.52110 
1 1 1 -18 -10 1  o 145.3589 14.06209 521.8175       96.50471 521.8175       96.50471 0.000000       0.000000 145.3589 14.06209 ?        ?        0.000000       14.06209 
1 1 1 -18 -10 2  o 77.73328 22.13293 157.8707       86.19812 157.8707       86.19812 0.000000       0.000000 77.73328 22.13293 ?        ?        0.000000       22.13293 
1 1 1 -18 -10 3  o 223.9423 8.743579 1212.666       93.43259 1061.541       133.5077 1357.726       130.8012 207.8409 13.50910 235.9591 11.63073 -28.11819      17.82610 
1 1 1 -18 -10 4  o 146.5451 12.69514 528.2628       88.06763 388.4723       176.0484 574.9210       101.7085 117.8791 30.87638 152.4300 14.11692 -34.55089      33.95053 
1 1 1 -18 -10 5  o 44.36751 18.55360 13.71859       65.85700 171.2036       171.6959 -13.44813      71.31142 84.59183 31.59459 41.82307 18.40474 42.76876       36.56437 
1 1 1 -18 -10 6  o 185.8204 10.78608 842.0631       95.41021 740.8053       165.2216 892.7231       116.8651 169.7560 20.79146 190.5461 12.90464 -20.79008      24.47069 
1 1 1 -18 -10 7  o 84.54494 15.48898 182.0186       60.29997 153.0122       120.8270 191.6391       69.58487 77.67380 26.80408 86.17332 17.48848 -8.499519      32.00478 
1 1 1 -18 -10 8  o 212.4352 11.70616 1105.923       118.4314 857.9191       236.5775 1188.857       136.8079 176.2974 29.08161 219.6130 13.08940 -43.31555      31.89157 
1 1 1 -18 -10 9  o 202.9115 12.03407 1013.363       116.2178 1147.895       193.6578 937.6412       145.2884 211.3323 19.38296 193.1151 15.87652 18.21716       25.05520 
1 1 1 -18 -10 10 o 278.1298 10.76451 1894.966       142.8661 2286.486       287.2608 1766.299       164.6766 296.5744 20.38373 267.0777 12.93538 29.49667       24.14168 
1 1 1 -18 -10 11 o 100.0923 20.30790 268.5030       93.85323 311.4138       168.1218 249.0762       113.1204 101.7311 31.41652 94.15984 24.79216 7.571289       40.02060 
1 1 1 -18 -10 12 o 69.92946 19.66760 131.4656       68.49217 362.5084       168.4910 85.72914       74.96550 109.3465 30.88028 59.30462 21.06507 50.04186       37.38086 
1 1 1 -18 -10 13 o 107.7522 17.61089 305.2098       87.59167 253.1296       299.8120 310.0699       91.58755 93.13710 39.30574 108.2165 18.35790 -15.07938      43.38149 
1 1 1 -18 -10 14 o 64.86469 25.31384 98.65209       113.4028 408.4205       346.3518 61.45596       120.0184 102.2272 42.63402 60.46763 25.14780 41.75962       49.49820 
1 1 1 -18 -10 15 o 52.41487 22.88922 15.06565       108.4148 -84.35274      228.5046 43.94660       123.1593 62.46169 29.45048 58.18752 24.89630 4.274170       38.56366 
1 1 1 -18 -9  1  o 94.57502 24.22953 237.5669       110.0353 237.5669       110.0353 0.000000       0.000000 94.57502 24.22953 ?        ?        0.000000       24.22953 
1 1 1 -18 -9  2  o 282.3368 10.63301 1935.958       143.2699 1935.958       143.2699 0.000000       0.000000 282.3368 10.63301 ?        ?        0.000000       10.63301 
1 1 1 -18 -9  3  o 415.0964 7.904949 4153.149       156.8760 3970.783       225.8688 4323.108       218.0500 403.7319 11.71425 421.8540 10.82042 -18.12216      15.94695 
1 1 1 -18 -9  4  o 293.8745 9.023592 2089.444       126.6295 2076.304       217.1811 2096.212       155.8652 289.4356 15.75441 293.4383 11.13043 -4.002716      19.28958 
1 1 1 -18 -9  5  o 37.41279 16.35072 -8.279777      55.41655 -121.4955      101.5678 39.70963       66.12650 40.00470 19.08408 49.20871 19.29311 -9.204002      27.13717 
1 1 1 -18 -9  6  o 180.1326 11.24313 793.0180       96.34226 853.4668       159.8418 758.5275       120.7385 183.6027 18.45996 174.8609 14.57500 8.741837       23.52022 
1 1 1 -18 -9  7  o 265.9907 13.87006 1745.140       175.7721 1306.327       253.7479 2149.936       243.7142 223.0857 24.17756 292.6936 17.49629 -69.60794      29.84417 
1 1 1 -18 -9  8  f 308.2539 10.10318 2311.399       148.6921 2188.446       297.6687 2352.280       171.6403 291.1884 21.53450 310.1224 11.59694 -18.93399      24.45861 
1 1 1 -18 -9  9  o 66.20523 23.08415 108.0134       89.72368 -218.6909      243.1468 159.5129       96.53673 61.79180 29.49136 77.20297 23.80013 -15.41117      37.89705 
1 1 1 -18 -9  10 o 87.80580 21.08876 207.8205       87.41375 156.9776       159.5219 229.6388       104.4999 79.49112 30.28383 91.29642 23.72724 -11.80531      38.47197 
1 1 1 -18 -9  11 o 92.48174 23.14845 236.6319       102.1002 227.0520       270.9492 238.2174       110.2254 92.31771 38.03199 92.15777 24.57005 0.1599426      45.27825 
1 1 1 -18 -9  12 o 62.57370 24.20631 85.03560       102.9935 -14.11997      316.0836 96.81382       108.9390 78.27294 36.13974 65.19473 24.97957 13.07822       43.93244 
1 1 1 -18 -9  13 o 255.7511 11.96585 1623.470       145.9028 971.9052       293.3512 1837.625       168.1797 173.1007 36.59339 271.2281 13.00763 -98.12733      38.83651 
1 1 1 -18 -9  14 o 57.79420 20.40782 84.07473       70.27312 179.7125       220.6068 73.27438       74.13496 82.00540 34.09898 55.92199 20.78535 26.08341       39.93459 
1 1 1 -18 -9  15 o 53.58753 20.36442 65.06326       72.02247 30.68596       231.1938 68.75806       75.79412 69.52312 31.65129 54.84085 20.87896 14.68228       37.91748 
1 1 1 -18 -8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -8  2  o 97.11925 29.84826 256.8637       151.9768 256.8637       151.9768 0.000000       0.000000 97.11925 29.84826 ?        ?        0.000000       29.84826 
1 1 1 -18 -8  3  o 107.7637 11.97128 286.2621       60.63721 287.7237       86.25301 284.8338       85.26348 106.2644 17.59270 105.7606 17.47244 0.5038223      24.79494 
1 1 1 -18 -8  4  o 249.5773 9.465379 1509.779       112.7363 1526.173       201.1108 1502.267       136.1371 247.1183 17.12844 248.1413 11.50676 -1.022964      20.63466 
1 1 1 -18 -8  5  o 58.00098 19.37456 81.56288       63.07646 47.46254       183.3748 86.13905       67.17561 71.63118 30.50562 59.58075 19.99560 12.05043       36.47488 
1 1 1 -18 -8  6  o 99.44521 14.79967 248.9396       68.22208 157.3536       131.4145 282.7286       79.82074 79.14487 27.91114 105.5602 16.34417 -26.41537      32.34445 
1 1 1 -18 -8  7  o 183.5397 11.84835 826.0416       103.4117 774.1470       230.8941 839.0632       115.6606 167.0229 30.01874 184.4308 13.20465 -17.40781      32.79463 
1 1 1 -18 -8  8  o 87.94410 19.07641 202.5818       77.89469 147.9167       143.8107 225.2783       92.66496 78.20193 28.97142 91.98160 21.46558 -13.77966      36.05709 
1 1 1 -18 -8  9  o 223.0918 11.41196 1220.961       121.3128 1217.875       267.6720 1221.759       136.0922 210.9077 27.17723 222.4054 12.85386 -11.49770      30.06366 
1 1 1 -18 -8  10 o 256.0005 14.27728 1636.291       174.0487 1276.240       284.2668 1852.209       220.1346 212.9282 28.65086 269.9122 17.14781 -56.98407      33.39040 
1 1 1 -18 -8  11 o 131.2589 17.71661 446.9954       108.3416 787.9976       329.5998 405.6876       114.7161 148.0851 43.61662 123.6068 20.10225 24.47823       48.02614 
1 1 1 -18 -8  12 o 99.96587 17.48781 262.2219       80.53639 193.5263       341.9798 266.2554       82.86710 91.56586 40.29908 100.5478 17.89455 -8.981918      44.09343 
1 1 1 -18 -8  13 o 134.4176 18.66080 476.9247       116.6909 489.3048       342.4541 475.2984       124.1189 112.0878 43.91726 133.2097 20.11536 -21.12190      48.30479 
1 1 1 -18 -8  14 o 61.22880 23.74038 85.67740       99.23721 -102.2562      191.5577 154.6170       116.0197 57.38947 27.02992 74.12901 26.21791 -16.73953      37.65628 
1 1 1 -18 -8  15 o 47.16762 21.25753 -18.78940      101.1618 -177.5239      201.2666 34.86772       117.0172 54.08511 26.07718 56.08688 24.13687 -2.001778      35.53320 
1 1 1 -18 -7  1  o 267.4302 9.365185 1731.362       119.5540 1731.362       119.5540 0.000000       0.000000 267.4302 9.365185 ?        ?        0.000000       9.365185 
1 1 1 -18 -7  2  o 51.23455 21.08114 28.05320       83.11465 28.05320       83.11465 0.000000       0.000000 51.23455 21.08114 ?        ?        0.000000       21.08114 
1 1 1 -18 -7  3  o 222.8299 12.27354 1215.454       130.2480 1215.454       130.2480 0.000000       0.000000 222.8299 12.27354 ?        ?        0.000000       12.27354 
1 1 1 -18 -7  4  o 140.6986 12.40395 487.2480       82.58340 515.3812       191.3207 480.8058       91.55165 136.0213 30.20678 139.2369 13.94046 -3.215622      33.26839 
1 1 1 -18 -7  5  o 158.3068 21.67951 650.5851       159.7749 650.5851       159.7749 0.000000       0.000000 158.3068 21.67951 ?        ?        0.000000       21.67951 
1 1 1 -18 -7  6  o 56.29050 19.19568 75.61806       61.91876 14.23012       204.8561 81.79021       64.95699 71.38961 31.31215 58.17221 19.66312 13.21740       36.97416 
1 1 1 -18 -7  7  o 131.3204 14.48709 430.7123       89.44411 432.1620       247.7865 430.4951       95.91075 119.0627 38.32563 130.8313 15.64339 -11.76868      41.39528 
1 1 1 -18 -7  8  o 130.4684 15.01909 427.4603       91.97500 730.4634       285.1330 392.2712       97.16907 153.4403 38.83966 124.1794 16.79737 29.26090       42.31631 
1 1 1 -18 -7  9  o 69.12193 21.40787 125.6225       77.99917 177.3565       174.7013 112.7425       87.16960 83.62917 31.73156 66.78517 22.77584 16.84400       39.05932 
1 1 1 -18 -7  10 o 291.8044 10.56204 2086.117       147.1062 1969.288       324.2253 2116.401       165.0752 268.2800 25.58802 293.0331 11.80720 -24.75308      28.18079 
1 1 1 -18 -7  11 o 95.07913 16.70894 235.5427       73.18192 351.5526       282.4855 227.1967       75.76865 103.1843 40.04145 92.89468 17.70663 10.28965       43.78176 
1 1 1 -18 -7  12 o 109.3619 18.57050 316.6539       93.62624 449.3919       183.6210 270.0195       108.8373 120.8038 31.48013 98.07813 23.51593 22.72565       39.29374 
1 1 1 -18 -7  13 o 154.0024 13.60678 598.7911       99.15278 651.1875       207.0509 583.1996       112.9457 146.3953 30.57110 150.5130 15.93780 -4.117722      34.47617 
1 1 1 -18 -7  14 o 113.9577 18.51073 348.4235       97.39237 402.1158       167.0632 320.7823       119.8682 112.7050 30.33812 105.2256 24.31544 7.479355       38.87984 
1 1 1 -18 -7  15 o 99.05895 21.71173 279.1678       99.98057 270.8045       169.8073 283.6056       123.6944 90.06236 31.73028 96.41019 26.17072 -6.347832      41.13049 
1 1 1 -18 -6  1  o 210.7432 10.73986 1081.324       107.8514 1081.324       107.8514 0.000000       0.000000 210.7432 10.73986 ?        ?        0.000000       10.73986 
1 1 1 -18 -6  2  f 95.18135 18.92266 234.5453       83.07455 234.5453       83.07455 0.000000       0.000000 95.18135 18.92266 ?        ?        0.000000       18.92266 
1 1 1 -18 -6  3  o 210.4479 10.71698 1079.113       107.4715 1079.113       107.4715 0.000000       0.000000 210.4479 10.71698 ?        ?        0.000000       10.71698 
1 1 1 -18 -6  4  o 103.9633 19.56083 280.7769       93.65726 280.7769       93.65726 0.000000       0.000000 103.9633 19.56083 ?        ?        0.000000       19.56083 
1 1 1 -18 -6  5  o 154.0649 10.13106 578.9125       74.20793 515.1064       135.8452 606.0513       88.59481 140.8884 20.79198 157.0713 11.88608 -16.18291      23.94964 
1 1 1 -18 -6  6  o 234.1668 10.16180 1335.028       113.4930 1036.553       277.7229 1394.866       124.3502 192.2222 31.29604 239.0374 10.90985 -46.81525      33.14312 
1 1 1 -18 -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -6  8  o 43.81253 18.30464 15.26846       64.01324 166.3793       140.0520 -24.63690      71.97092 80.21754 28.75921 40.26502 18.05613 39.95251       33.95756 
1 1 1 -18 -6  9  o 169.2224 12.74890 710.6136       102.3843 729.0291       265.4014 707.3938       110.9743 152.7015 36.79156 168.2496 13.92070 -15.54805      39.33706 
1 1 1 -18 -6  10 o 161.4672 13.10886 650.9061       100.3249 582.0618       249.4965 664.1847       109.5739 133.3484 37.54900 162.4986 14.24826 -29.15018      40.16142 
1 1 1 -18 -6  11 o 107.4439 18.44476 305.1508       91.33521 304.5320       226.8654 305.2704       99.77872 97.74149 36.35448 106.4088 20.35478 -8.667343      41.66492 
1 1 1 -18 -6  12 o 136.0960 15.72163 476.0198       100.4159 707.1200       238.9408 426.4496       110.6625 149.0228 34.25544 126.8842 18.81139 22.13861       39.08073 
1 1 1 -18 -6  13 o 121.1037 18.66224 390.9419       104.5852 401.4954       256.5133 388.8378       114.5376 105.3400 38.75148 119.3191 20.83620 -13.97904      43.99800 
1 1 1 -18 -6  14 o 95.74541 23.39781 265.5536       106.1799 340.1634       284.7873 253.5076       114.4309 95.45522 39.12162 92.24033 25.22673 3.214890       46.54986 
1 1 1 -18 -6  15 o 129.6703 15.70377 441.6582       95.37250 159.0541       227.6015 501.8490       105.0391 77.37589 33.48193 137.8898 16.24486 -60.51390      37.21472 
1 1 1 -18 -5  1  o 93.01255 18.39637 223.6564       78.90649 223.6564       78.90649 0.000000       0.000000 93.01255 18.39637 ?        ?        0.000000       18.39637 
1 1 1 -18 -5  2  o 203.9885 10.93070 1015.266       106.2119 1015.266       106.2119 0.000000       0.000000 203.9885 10.93070 ?        ?        0.000000       10.93070 
1 1 1 -18 -5  3  o 325.2753 8.679422 2560.431       134.8535 2560.431       134.8535 0.000000       0.000000 325.2753 8.679422 ?        ?        0.000000       8.679422 
1 1 1 -18 -5  4  o 99.77794 18.47737 257.7346       84.89672 257.7346       84.89672 0.000000       0.000000 99.77794 18.47737 ?        ?        0.000000       18.47737 
1 1 1 -18 -5  5  o 39.73499 17.45990 -10.91064      63.95861 -20.88171      81.89683 4.679073       102.4036 43.77208 19.46939 52.11479 22.50452 -8.342709      29.75753 
1 1 1 -18 -5  6  o 59.49680 23.93048 56.67328       104.2511 56.67328       104.2511 0.000000       0.000000 59.49680 23.93048 ?        ?        0.000000       23.93048 
1 1 1 -18 -5  7  o 126.1460 13.96461 397.9618       82.81043 489.8945       133.3325 340.2296       105.6598 136.5818 21.09810 113.8682 20.14577 22.71358       29.17160 
1 1 1 -18 -5  8  o 360.2603 9.967419 3165.615       171.5102 2967.312       361.9253 3223.043       194.7678 335.1120 22.72464 362.5283 11.25105 -27.41626      25.35736 
1 1 1 -18 -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -5  10 o 152.8685 12.23158 581.9679       88.64888 573.1523       173.9704 585.0597       103.0282 141.8848 26.62434 152.1585 14.33167 -10.27373      30.23661 
1 1 1 -18 -5  11 f 57.14297 20.82912 77.60497       73.84851 66.92542       153.8419 80.80268       84.18156 66.28479 28.07342 59.07471 22.11094 7.210079       35.73529 
1 1 1 -18 -5  12 o 107.3336 15.23332 297.4293       75.97669 493.0017       276.0909 281.4055       79.02791 114.8937 40.46124 103.7181 16.48871 11.17558       43.69198 
1 1 1 -18 -5  13 o 58.17343 22.69016 74.41777       91.07338 -67.42334      285.5056 90.48573       96.09348 69.79118 32.91032 61.51882 23.48798 8.272366       40.43234 
1 1 1 -18 -5  14 o 41.89286 19.40471 -49.59696      92.20937 -83.77042      269.0622 -45.04924      98.15328 66.03503 31.37684 43.74595 20.17697 22.28909       37.30437 
1 1 1 -18 -5  15 o 63.26867 23.07409 109.3558       90.64236 120.3452       155.1701 103.6635       111.6771 69.03485 28.64259 63.72342 25.04585 5.311428       38.04855 
1 1 1 -18 -4  1  o 143.3347 10.84785 502.8491       73.78484 502.8491       73.78484 0.000000       0.000000 143.3347 10.84785 ?        ?        0.000000       10.84785 
1 1 1 -18 -4  2  o 184.2923 11.31748 831.5287       99.23513 831.5287       99.23513 0.000000       0.000000 184.2923 11.31748 ?        ?        0.000000       11.31748 
1 1 1 -18 -4  3  o 165.7985 11.33240 673.9799       89.28771 673.9799       89.28771 0.000000       0.000000 165.7985 11.33240 ?        ?        0.000000       11.33240 
1 1 1 -18 -4  4  o 72.67258 19.52099 139.0260       69.25697 139.0260       69.25697 0.000000       0.000000 72.67258 19.52099 ?        ?        0.000000       19.52099 
1 1 1 -18 -4  5  o 124.2454 13.63277 385.0163       79.65060 385.0163       79.65060 0.000000       0.000000 124.2454 13.63277 ?        ?        0.000000       13.63277 
1 1 1 -18 -4  6  o 49.09769 20.64720 18.86452       82.26428 157.9637       159.8648 -31.23526      95.94192 80.27927 30.37858 46.16592 20.76292 34.11334       36.79615 
1 1 1 -18 -4  7  o 84.11133 17.64110 185.3406       68.67075 398.9586       184.8912 151.1573       73.96133 115.4725 32.25559 75.18614 20.16292 40.28638       38.03902 
1 1 1 -18 -4  8  o 87.46314 16.77181 199.5752       67.58057 41.39677       147.6169 241.5189       76.01439 63.66212 27.24797 96.26218 17.14571 -32.60006      32.19359 
1 1 1 -18 -4  9  o 65.32027 21.28703 112.6747       76.30174 316.0791       217.7837 84.21343       81.46527 99.50819 35.83955 59.64339 21.85540 39.86480       41.97776 
1 1 1 -18 -4  10 o 50.32242 19.73165 47.68752       69.17247 -66.40836      197.0234 63.72851       73.87517 61.15902 28.34128 54.28677 20.62597 6.872246       35.05223 
1 1 1 -18 -4  11 o 95.41151 28.22110 275.0213       137.7441 275.0213       137.7441 0.000000       0.000000 95.41151 28.22110 ?        ?        0.000000       28.22110 
1 1 1 -18 -4  12 o 104.3596 18.44753 292.4420       88.67474 537.1847       223.9348 246.9288       96.56853 124.9733 35.70347 93.63779 21.95476 31.33555       41.91359 
1 1 1 -18 -4  13 o 59.27071 18.25513 94.96374       56.80998 138.4944       138.0814 86.09393       62.32963 71.48757 27.92285 57.14779 19.26139 14.33979       33.92177 
1 1 1 -18 -4  14 o 64.48438 23.74701 113.6779       96.36993 306.5127       301.4824 91.73196       101.7060 88.99713 38.52274 61.13663 23.93960 27.86050       45.35532 
1 1 1 -18 -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -3  2  o 85.32441 20.53275 193.3924       82.73957 193.3924       82.73957 0.000000       0.000000 85.32441 20.53275 ?        ?        0.000000       20.53275 
1 1 1 -18 -3  3  o 110.8600 14.23772 308.6092       73.72112 308.6092       73.72112 0.000000       0.000000 110.8600 14.23772 ?        ?        0.000000       14.23772 
1 1 1 -18 -3  4  o 49.80819 18.49404 51.69418       58.66296 51.69418       58.66296 0.000000       0.000000 49.80819 18.49404 ?        ?        0.000000       18.49404 
1 1 1 -18 -3  5  o 59.84539 20.03229 89.31335       67.42694 89.31335       67.42694 0.000000       0.000000 59.84539 20.03229 ?        ?        0.000000       20.03229 
1 1 1 -18 -3  6  o 26.88655 13.02991 -81.94924      51.87384 -81.94924      51.87384 0.000000       0.000000 26.88655 13.02991 ?        ?        0.000000       13.02991 
1 1 1 -18 -3  7  o 96.63161 17.59404 244.7933       78.28817 533.1960       156.9404 149.2521       90.32966 138.8390 24.54109 74.02460 23.05609 64.81440       33.67266 
1 1 1 -18 -3  8  o 39.02708 17.26068 -11.24582      63.47013 163.4276       167.8395 -40.39315      68.56148 79.20712 30.82874 36.89952 16.96257 42.30759       35.18721 
1 1 1 -18 -3  9  o 29.41244 13.93960 -56.66409      52.44225 39.46143       184.9244 -65.07076      54.68737 67.24051 29.61214 29.38812 14.01504 37.85239       32.76126 
1 1 1 -18 -3  10 o 162.6592 13.03812 666.0966       100.5432 761.1281       220.0683 641.0277       113.0293 158.3479 30.17072 158.1900 15.12940 0.1578827      33.75161 
1 1 1 -18 -3  11 o 90.25648 21.63324 229.0407       92.13222 296.6480       260.2469 219.3534       98.51201 93.28738 37.70750 87.41479 23.19244 5.872589       44.26900 
1 1 1 -18 -3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -3  13 o 79.05928 21.27727 180.5268       82.18362 154.1546       160.3512 189.9222       95.70994 73.47919 29.63503 79.82056 23.50204 -6.341370      37.82302 
1 1 1 -18 -3  14 o 101.4662 21.49136 298.5055       101.0060 235.4487       279.8741 307.9484       108.3052 81.99952 36.25689 101.9804 22.78841 -19.98087      42.82375 
1 1 1 -18 -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -2  5  o 77.49522 15.77318 156.2856       56.44936 156.2856       56.44936 0.000000       0.000000 77.49522 15.77318 ?        ?        0.000000       15.77318 
1 1 1 -18 -2  6  o 147.7008 10.70961 538.4877       75.11124 538.4877       75.11124 0.000000       0.000000 147.7008 10.70961 ?        ?        0.000000       10.70961 
1 1 1 -18 -2  7  o 96.68610 14.21043 239.2785       63.72876 239.2785       63.72876 0.000000       0.000000 96.68610 14.21043 ?        ?        0.000000       14.21043 
1 1 1 -18 -2  8  o 77.69289 30.40286 161.4672       163.9481 161.4672       163.9481 0.000000       0.000000 77.69289 30.40286 ?        ?        0.000000       30.40286 
1 1 1 -18 -2  9  o 62.20318 17.43053 103.8087       53.90102 46.38528       174.8764 109.8367       56.65955 65.97164 28.93323 63.84366 17.86405 2.127979       34.00377 
1 1 1 -18 -2  10 o 87.07916 19.96452 209.8172       81.33766 201.4372       189.5758 211.7078       90.04697 82.26188 32.53922 86.45471 21.79510 -4.192833      39.16411 
1 1 1 -18 -2  11 o 109.4823 16.75786 318.8380       84.92796 282.9889       217.1460 325.3121       92.27850 89.84856 35.03872 109.6203 18.24893 -19.77169      39.50614 
1 1 1 -18 -2  12 o 82.06098 19.79230 190.6711       76.74446 137.0246       145.1324 211.4941       90.42023 70.45502 28.27088 85.02808 22.05740 -14.57305      35.85765 
1 1 1 -18 -2  13 o 103.8392 21.46251 312.9384       103.0255 0.000000       0.000000 312.9384       103.0255 ?        ?        103.8392 21.46251 0.000000       21.46251 
1 1 1 -18 -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 -1  7  o 95.33459 15.63074 237.2813       68.77564 237.2813       68.77564 0.000000       0.000000 95.33459 15.63074 ?        ?        0.000000       15.63074 
1 1 1 -18 -1  8  o 119.3907 23.70386 406.8266       130.5263 406.8266       130.5263 0.000000       0.000000 119.3907 23.70386 ?        ?        0.000000       23.70386 
1 1 1 -18 -1  9  o 93.68917 14.75980 228.8465       63.92645 271.9725       142.9178 218.0600       71.47521 92.60964 29.02465 90.12145 17.21652 2.488190       33.74669 
1 1 1 -18 -1  10 o 99.10912 14.27633 255.8503       65.69688 506.6826       169.7571 211.6645       71.24877 126.5968 28.71067 88.21200 17.51227 38.38484       33.63008 
1 1 1 -18 -1  11 o 143.0158 14.27649 531.8341       96.31149 311.3735       208.3829 591.7205       108.6077 90.64558 34.59329 149.9812 15.36350 -59.33564      37.85145 
1 1 1 -18 -1  12 o 95.34715 20.00423 260.1140       88.27407 439.9910       229.2383 228.7976       95.65013 102.0647 36.76874 87.13396 22.72762 14.93072       43.22597 
1 1 1 -18 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0   9  o 84.84019 33.87928 257.3563       207.3976 257.3563       207.3976 0.000000       0.000000 84.84019 33.87928 ?        ?        0.000000       33.87928 
1 1 1 -18 0   10 o 49.13960 17.16705 61.76770       49.63531 -289.6559      131.2705 120.3926       53.61581 36.26187 18.13557 65.91536 16.92686 -29.65349      24.80761 
1 1 1 -18 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -21 1  o 82.71207 29.17205 198.0913       143.5589 198.0913       143.5589 0.000000       0.000000 82.71207 29.17205 ?        ?        0.000000       29.17205 
1 1 1 -17 -21 2  o 174.6978 16.75268 789.8177       138.2074 789.8177       138.2074 0.000000       0.000000 174.6978 16.75268 ?        ?        0.000000       16.75268 
1 1 1 -17 -20 1  o 70.56935 26.96617 115.7349       126.7296 115.7349       126.7296 0.000000       0.000000 70.56935 26.96617 ?        ?        0.000000       26.96617 
1 1 1 -17 -20 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -20 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -20 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -20 5  o 103.7913 14.73318 276.5367       71.05646 324.3806       127.8972 255.1756       85.45917 106.0071 25.53989 97.50249 19.01628 8.504646       31.84188 
1 1 1 -17 -19 1  o 132.9558 21.23873 466.5532       130.4628 466.5532       130.4628 0.000000       0.000000 132.9558 21.23873 ?        ?        0.000000       21.23873 
1 1 1 -17 -19 2  o 40.59519 17.34756 4.309303       59.66160 -38.88294      77.49625 67.16004       93.48307 40.16044 18.29959 58.96583 22.99149 -18.80539      29.38509 
1 1 1 -17 -19 3  o 88.64736 16.31434 202.9718       66.59525 140.6892       87.58283 288.3346       102.5344 72.67031 22.71335 103.7110 21.38986 -31.04067      31.19972 
1 1 1 -17 -19 4  o 45.48042 19.17834 14.58534       71.28510 151.7989       109.0091 -87.93134      94.22404 75.46939 25.47254 40.12477 18.91649 35.34462       31.72828 
1 1 1 -17 -19 5  o 142.8966 13.51556 511.6484       91.23731 522.3074       138.6608 503.5102       121.1607 139.8026 21.42784 138.9252 18.71779 0.8773956      28.45185 
1 1 1 -17 -19 6  f 137.9361 16.07297 487.9600       104.0107 415.3987       205.8456 512.8373       120.5289 113.7545 34.69548 139.9951 18.45741 -26.24057      39.29952 
1 1 1 -17 -19 7  o 68.22185 21.15684 125.9580       76.15215 69.06221       127.5901 157.4413       94.91104 63.20119 26.07383 75.25737 23.66219 -12.05618      35.21000 
1 1 1 -17 -19 8  o 72.42321 21.20350 144.5023       78.09264 236.5030       130.5726 93.26710       97.44069 89.21678 27.70943 62.74119 23.72269 26.47559       36.47710 
1 1 1 -17 -18 1  o 124.7920 18.84513 400.2747       108.9329 400.2747       108.9329 0.000000       0.000000 124.7920 18.84513 ?        ?        0.000000       18.84513 
1 1 1 -17 -18 2  o 112.0366 11.26458 309.2750       59.51894 331.2032       86.79218 289.8080       81.77655 114.1871 16.36573 106.6022 16.58465 7.584930       23.29995 
1 1 1 -17 -18 3  o 101.3346 14.30760 258.7123       67.38944 121.0180       130.8695 308.3977       78.61315 72.67977 27.48974 110.4135 15.30330 -37.73376      31.46231 
1 1 1 -17 -18 4  o 171.7721 12.47350 729.1329       101.7373 655.4744       146.6342 797.5028       141.2720 159.0157 19.70962 177.3601 16.86330 -18.34444      25.93916 
1 1 1 -17 -18 5  o 271.9210 11.04206 1811.588       143.2507 1627.006       217.5617 1952.858       190.3321 252.5126 18.14243 280.0922 14.26049 -27.57967      23.07616 
1 1 1 -17 -18 6  o 34.23170 16.59674 -128.9000      84.39694 -212.2811      108.1965 0.6718491      134.8760 35.84100 17.66869 57.76334 25.36911 -21.92234      30.91560 
1 1 1 -17 -18 7  o 43.64206 19.73917 -33.02139      88.14105 -87.28024      114.1008 47.26737       138.7973 45.17192 21.14368 63.12072 26.69621 -17.94880      34.05500 
1 1 1 -17 -18 8  o 152.0641 17.45326 598.1880       124.5881 480.1299       231.5405 646.2998       147.8103 120.6359 36.79785 156.1403 20.27938 -35.50434      42.01589 
1 1 1 -17 -18 9  o 43.73562 19.75981 -28.66768      88.04069 -4.382255      139.6585 -44.68360      113.4149 57.07575 25.40332 48.18467 22.02538 8.891083       33.62210 
1 1 1 -17 -17 1  o 232.3361 10.15898 1310.474       112.5704 1196.892       142.8179 1496.797       182.9201 220.6734 13.60318 245.8091 15.64644 -25.13568      20.73301 
1 1 1 -17 -17 2  o 120.3831 15.32858 362.7877       86.22371 351.8975       126.5464 372.2247       117.8003 115.1495 23.77484 119.5683 21.39280 -4.418785      31.98273 
1 1 1 -17 -17 3  o 172.5657 10.17574 725.0828       83.57896 718.6490       108.5413 734.4542       130.9974 170.6589 13.41092 171.3388 16.18360 -0.6799164     21.01813 
1 1 1 -17 -17 4  o 31.85030 14.47488 -26.26841      48.08899 -131.8916      158.4723 -15.55572      50.46878 52.43624 24.66220 34.39123 15.29109 18.04501       29.01795 
1 1 1 -17 -17 5  f 135.1903 12.05605 450.9946       77.10505 484.1874       130.1381 433.0397       95.71363 136.2637 20.62033 131.1015 15.57467 5.162186       25.84122 
1 1 1 -17 -17 6  o 92.50747 19.75098 226.1506       84.69411 257.8257       187.2553 218.0045       94.96242 95.22161 33.33847 89.87033 22.22692 5.351280       40.06857 
1 1 1 -17 -17 7  o 79.40932 19.19481 167.2104       72.05860 176.7203       119.7208 161.8081       90.23344 80.76658 26.68339 77.45608 22.82343 3.310501       35.11285 
1 1 1 -17 -17 8  o 112.3845 17.99991 327.8010       93.45012 333.9254       148.5740 323.7921       120.2053 107.7846 28.42872 108.6998 23.79240 -0.9151917     37.07116 
1 1 1 -17 -17 9  o 97.97501 23.33987 265.1235       107.7595 199.6149       232.8364 282.9799       121.5621 88.21887 35.66371 100.2135 25.35653 -11.99462      43.75904 
1 1 1 -17 -17 10 o 107.4364 19.91974 309.3195       98.54939 268.0555       157.9695 335.6117       126.0958 94.32805 30.62113 109.0125 24.76053 -14.68444      39.37941 
1 1 1 -17 -17 11 o 80.36237 19.44389 175.6152       73.88602 191.9249       162.8018 171.3844       82.91709 82.11449 30.74587 78.62272 21.46231 3.491768       37.49586 
1 1 1 -17 -16 1  o 43.76283 16.61199 34.91707       47.89246 10.85150       75.59037 51.05608       61.90231 46.74336 19.73195 50.80248 18.97155 -4.059120      27.37279 
1 1 1 -17 -16 2  o 208.5576 9.339434 1053.377       92.88632 984.9286       123.8752 1141.296       140.3919 200.4378 12.99704 215.5316 13.69540 -15.09372      18.88087 
1 1 1 -17 -16 3  f 165.4577 10.59555 666.5558       83.37395 673.7407       116.1706 658.9243       119.7269 164.9082 14.89527 162.8083 15.57131 2.099884       21.54843 
1 1 1 -17 -16 4  o 69.77957 16.31977 125.1476       53.46764 330.7888       102.3620 47.98915       62.70113 113.3495 19.59789 50.21729 19.02008 63.13223       27.31009 
1 1 1 -17 -16 5  o 220.2881 10.88807 1182.603       114.3148 1095.419       204.3239 1222.328       137.9206 206.7471 20.96081 223.0735 12.98839 -16.32645      24.65875 
1 1 1 -17 -16 6  o 144.8680 12.85817 518.5248       88.13126 340.9686       138.3100 639.8975       114.3526 111.4994 26.36376 160.1003 15.11888 -48.60086      30.39125 
1 1 1 -17 -16 7  o 125.5445 15.07953 396.4071       88.69999 282.8308       211.1420 420.7467       97.74324 99.46642 35.35023 128.9062 16.21819 -29.43981      38.89304 
1 1 1 -17 -16 8  o 46.96557 18.28754 38.58374       59.07971 127.7123       133.3393 16.81202       65.90164 73.65287 27.77233 44.56267 18.59196 29.09020       33.42100 
1 1 1 -17 -16 9  o 166.1983 13.77851 688.9072       108.4975 935.7150       241.7930 626.6837       121.4064 182.5742 28.64262 157.1165 16.40399 25.45769       33.00743 
1 1 1 -17 -16 10 o 95.41263 16.56040 235.4090       72.80309 77.43375       135.1891 299.9379       86.40212 66.37656 27.04920 107.5835 17.39158 -41.20698      32.15783 
1 1 1 -17 -16 11 o 71.65797 19.14525 137.7897       66.83720 359.9840       139.4702 71.54965       76.15094 112.1763 26.44098 56.53431 21.05581 55.64201       33.80048 
1 1 1 -17 -16 12 o 47.53853 19.34114 32.69133       68.98537 205.1198       231.4435 15.87854       72.27040 86.58738 35.35175 45.50763 19.25611 41.07975       40.25598 
1 1 1 -17 -16 13 o 88.16108 18.78825 209.9708       76.76682 84.54824       153.1364 252.0684       88.71953 67.62892 28.28741 96.16084 19.95243 -28.53192      34.61615 
1 1 1 -17 -15 1  o 185.7257 9.730608 835.9623       86.09994 828.4267       114.7043 845.6880       130.3107 183.8606 13.13570 185.1535 14.84538 -1.292816      19.82251 
1 1 1 -17 -15 2  o 128.0849 12.35531 402.8745       74.72099 440.1616       100.0533 355.8535       112.3565 132.7608 16.09159 117.5056 20.75902 15.25526       26.26549 
1 1 1 -17 -15 3  o 221.5778 10.39362 1191.926       109.7968 1085.763       178.4007 1256.658       139.3050 208.2253 18.10034 226.5946 12.91249 -18.36932      22.23409 
1 1 1 -17 -15 4  o 102.3206 17.95210 267.2142       84.61756 124.5673       166.3581 317.0011       98.28108 78.56889 30.66037 111.2069 19.17797 -32.63804      36.16425 
1 1 1 -17 -15 5  o 230.7131 11.60888 1297.902       127.6360 1392.806       192.8157 1223.881       170.2856 236.3113 17.18412 221.9881 16.15559 14.32321       23.58595 
1 1 1 -17 -15 6  o 158.2439 12.21513 614.2312       91.69824 815.0496       143.3329 475.0891       119.3091 180.4998 16.80265 136.6354 18.75891 43.86436       25.18384 
1 1 1 -17 -15 7  o 214.4393 12.10836 1126.594       123.6317 1209.401       237.5750 1095.841       144.7800 215.3058 23.45901 210.3898 14.48215 4.916016       27.56915 
1 1 1 -17 -15 8  o 98.87054 19.70802 256.0103       89.88673 349.2816       140.6016 191.5407       116.8944 112.5396 26.56234 84.17995 26.22954 28.35965       37.33024 
1 1 1 -17 -15 9  o 79.71027 18.56199 167.1640       69.41268 101.7939       144.6807 186.7094       79.11205 71.40249 28.36786 83.84277 20.01453 -12.44028      34.71767 
1 1 1 -17 -15 10 o 73.10920 20.14566 142.3852       72.66418 196.0363       217.5445 135.6477       77.09187 88.24789 34.87270 71.41488 21.10985 16.83302       40.76433 
1 1 1 -17 -15 11 o 138.3691 13.35781 478.2893       87.26824 619.3114       157.3955 415.6938       104.8625 152.2851 22.27750 126.8375 17.78044 25.44762       28.50317 
1 1 1 -17 -15 12 o 97.39761 18.44397 250.4836       82.74014 191.0007       233.2288 259.0475       88.49614 86.90990 35.48617 98.59036 19.46619 -11.68046      40.47469 
1 1 1 -17 -15 13 o 112.5664 15.69358 326.7201       82.16476 415.8028       159.1792 294.3640       95.93291 118.3586 28.47791 104.5153 19.92613 13.84325       34.75690 
1 1 1 -17 -15 14 o 48.83517 21.31352 5.011451       93.88331 76.88091       146.5228 -45.04549      122.2827 65.95856 27.63487 49.71582 22.77972 16.24274       35.81343 
1 1 1 -17 -14 1  o 106.1013 13.74392 278.9140       68.08066 215.4987       90.57268 361.2831       103.2243 91.03535 21.20612 119.4145 18.69352 -28.37919      28.26919 
1 1 1 -17 -14 2  o 62.44473 16.22688 99.54835       48.87963 159.3883       78.03067 60.90308       62.70726 78.35076 20.57246 53.29522 19.22660 25.05554       28.15827 
1 1 1 -17 -14 3  o 135.0103 12.51278 447.3383       79.84715 337.4325       118.3359 539.2009       108.1872 113.7310 22.56033 147.3393 15.59494 -33.60827      27.42573 
1 1 1 -17 -14 4  o 154.5892 12.12515 584.8531       88.89712 713.5361       173.7719 539.2380       103.4603 166.5511 22.39010 147.5333 14.87085 19.01784       26.87860 
1 1 1 -17 -14 5  o 178.5692 11.02846 776.7816       93.69264 600.4738       152.1678 884.4337       118.9045 152.9059 21.40092 189.8448 13.18248 -36.93887      25.13517 
1 1 1 -17 -14 6  f 191.0460 11.47816 890.4698       104.3545 733.8948       176.5727 974.5134       129.3643 168.5828 22.46676 199.0624 13.67615 -30.47961      26.30195 
1 1 1 -17 -14 7  o 200.1905 13.73472 986.6099       130.6569 618.2358       231.8943 1157.944       158.1492 147.6871 33.60212 216.1622 15.40402 -68.47514      36.96467 
1 1 1 -17 -14 8  o 117.1715 16.90852 347.8164       91.98169 288.4138       145.7440 387.1400       118.5810 102.1490 28.67569 121.9597 21.10062 -19.81070      35.60241 
1 1 1 -17 -14 9  o 59.89580 23.40086 66.44595       96.99876 164.5409       201.7333 36.94694       110.6262 85.29921 33.62057 58.02149 24.13822 27.27772       41.38836 
1 1 1 -17 -14 10 o 156.1124 13.79859 606.6738       101.9273 692.9939       160.1313 547.8786       132.1574 162.8790 21.05596 145.4862 19.49019 17.39287       28.69183 
1 1 1 -17 -14 11 f 96.84946 20.92237 251.0376       94.04127 211.1816       145.3889 279.7077       123.3105 87.06415 29.41750 100.0803 25.65452 -13.01618      39.03259 
1 1 1 -17 -14 12 o 121.2458 20.67994 390.2395       115.5770 487.1294       243.1554 361.9599       131.3656 122.7110 37.76230 114.3180 24.75404 8.393059       45.15257 
1 1 1 -17 -14 13 o 127.4019 17.77799 421.9103       105.3398 185.4809       165.4175 583.1952       136.6241 82.70119 30.98645 148.8396 19.68190 -66.13841      36.70881 
1 1 1 -17 -14 14 o 131.6889 17.36495 452.4454       106.6663 507.6902       171.8302 417.8102       136.0545 131.2963 28.21484 121.9098 24.19751 9.386490       37.16983 
1 1 1 -17 -14 15 o 95.78263 25.90259 270.4552       121.4446 307.1771       284.7487 262.2903       134.2688 95.14436 39.07038 93.06091 27.94501 2.083443       48.03559 
1 1 1 -17 -13 1  o 99.69870 12.39367 244.7881       57.80256 249.2093       71.36305 236.3546       98.56192 99.82936 15.45094 95.35775 22.05834 4.471611       26.93143 
1 1 1 -17 -13 2  o 106.0126 11.58721 275.5208       57.77266 283.7948       85.78221 268.6527       78.15513 105.9962 17.54068 103.4215 16.34939 2.574661       23.97870 
1 1 1 -17 -13 3  o 100.3013 15.20339 251.7564       70.62206 193.4140       103.5809 302.4365       96.53976 85.87572 24.19829 108.8287 19.25932 -22.95298      30.92699 
1 1 1 -17 -13 4  o 83.40337 19.53819 180.1860       76.53356 137.1905       159.4479 193.0572       87.24027 79.82930 30.30887 85.97946 21.32716 -6.150162      37.06043 
1 1 1 -17 -13 5  o 120.3466 15.42461 361.4058       86.70985 331.1709       183.9886 370.0384       98.31222 109.3120 32.68635 121.0981 17.48683 -11.78613      37.07002 
1 1 1 -17 -13 6  o 51.64634 18.02709 60.35880       54.72625 -56.07890      118.4143 91.98366       61.71226 49.94042 22.70320 60.73073 19.07815 -10.79031      29.65486 
1 1 1 -17 -13 7  f 304.8734 9.966684 2253.096       145.0757 2470.176       256.3189 2150.775       175.9756 315.0800 17.07962 296.7206 12.43254 18.35941       21.12537 
1 1 1 -17 -13 8  o 215.6306 12.12600 1136.960       124.5039 1068.947       191.1457 1187.080       164.0859 205.3350 19.71311 218.6624 15.80261 -13.32739      25.26517 
1 1 1 -17 -13 9  o 38.96377 16.86127 -3.484323      57.72758 -181.8941      203.1758 12.18309       60.20899 58.14064 27.52026 42.42395 17.74046 15.71669       32.74276 
1 1 1 -17 -13 10 o 131.1473 15.38738 432.0971       94.64607 352.3166       147.2322 488.2838       123.5581 112.6161 27.57133 137.7165 19.29491 -25.10037      33.65222 
1 1 1 -17 -13 11 f 73.47771 24.75094 140.2245       102.9210 172.5982       226.0018 131.7538       115.6043 87.01046 35.15029 72.82031 26.12619 14.19015       43.79636 
1 1 1 -17 -13 12 o 125.1263 17.03724 401.7733       99.27439 571.5428       154.8570 283.3227       129.3509 145.9277 22.95368 100.1729 26.57511 45.75487       35.11563 
1 1 1 -17 -13 13 o 96.14593 24.85328 258.6752       115.0693 37.30843       259.3701 312.9229       128.3968 77.25957 34.48779 105.4210 25.70947 -28.16145      43.01609 
1 1 1 -17 -13 14 o 84.71893 26.25089 204.2600       117.2660 372.6385       278.7610 168.0568       129.2594 105.1998 40.04367 78.34816 27.67679 26.85161       48.67751 
1 1 1 -17 -13 15 o 65.38887 24.36461 105.8913       101.9871 72.61628       175.6377 122.8180       125.2696 69.14899 29.66161 70.10635 26.80517 -0.9573669     39.97910 
1 1 1 -17 -13 16 o 54.59230 20.51169 68.10548       72.59084 413.2417       184.2562 4.694973       78.97823 112.4933 32.46448 45.18660 19.63709 67.30666       37.94150 
1 1 1 -17 -12 1  o 150.0811 10.08272 546.1238       71.92580 563.9096       96.06859 523.4375       108.4988 151.7182 13.38151 145.4117 15.86392 6.306488       20.75400 
1 1 1 -17 -12 2  o 255.6744 9.319633 1578.154       113.7279 1655.474       142.2586 1441.226       189.3132 261.2325 11.41808 241.7838 16.47585 19.44872       20.04561 
1 1 1 -17 -12 3  o 410.7424 9.889524 4073.778       194.2018 4151.111       435.6819 4054.603       216.9462 405.6339 22.55487 409.0964 11.10247 -3.462524      25.13935 
1 1 1 -17 -12 4  o 267.5721 9.714496 1731.421       124.0646 1729.980       227.7914 1732.029       147.9304 263.7034 18.17938 266.9584 11.61841 -3.255005      21.57492 
1 1 1 -17 -12 5  o 141.9774 12.72851 494.7304       85.48244 561.4240       195.3214 478.9296       95.07078 144.0850 29.35237 139.1366 14.50489 4.948486       32.74070 
1 1 1 -17 -12 6  o 224.8459 11.07185 1229.439       118.6522 1176.885       221.5701 1250.570       140.4948 214.7733 21.88395 226.0286 13.05693 -11.25523      25.48314 
1 1 1 -17 -12 7  o 72.61629 17.16392 135.7467       58.63993 66.71776       112.4827 161.5089       68.71661 63.18784 25.04222 78.99390 18.51918 -15.80607      31.14599 
1 1 1 -17 -12 8  o 93.06802 21.63358 227.8553       94.42485 83.99058       197.6266 270.4132       107.4876 77.61372 32.27360 101.1402 22.77866 -23.52644      39.50256 
1 1 1 -17 -12 9  o 189.5558 11.85845 878.8245       106.9282 915.2297       175.6705 857.3979       134.7703 189.8247 19.64036 185.8337 15.30469 3.991043       24.89934 
1 1 1 -17 -12 10 o 226.2013 13.05480 1258.067       140.5804 1271.881       240.9310 1250.936       173.1026 221.0838 23.13656 223.8464 16.28645 -2.762512      28.29397 
1 1 1 -17 -12 11 o 146.1767 13.40007 530.2480       92.60611 347.2243       160.4041 621.7502       113.4169 110.4910 29.72088 157.5601 15.24676 -47.06907      33.40351 
1 1 1 -17 -12 12 o 91.52207 24.39267 230.6076       108.6616 243.2167       246.8911 227.5784       121.0123 94.94192 37.26263 90.35586 26.37829 4.586060       45.65434 
1 1 1 -17 -12 13 o 85.72292 23.42454 202.2859       98.71311 224.5158       163.0365 189.4202       124.0316 88.99789 31.11159 82.71354 27.15160 6.284348       41.29335 
1 1 1 -17 -12 14 o 76.40120 24.57500 159.4278       101.8921 208.2463       175.2793 134.5108       125.2238 86.42889 31.99087 73.08356 27.04192 13.34534       41.88891 
1 1 1 -17 -12 15 o 55.38453 20.92134 67.13802       75.74516 360.2428       298.6622 46.98940       78.30534 102.6025 40.75967 52.08133 20.81084 50.52116       45.76508 
1 1 1 -17 -12 16 o 107.6801 18.05420 308.4052       89.65733 169.8214       193.9621 346.0620       101.1073 80.01812 32.47705 113.3845 19.34537 -33.36641      37.80215 
1 1 1 -17 -11 1  o 146.4679 9.816175 519.8243       68.34056 411.8959       107.5152 592.9941       88.52533 128.1405 18.04937 155.9926 11.96138 -27.85207      21.65304 
1 1 1 -17 -11 2  o 107.5806 13.86193 286.2209       69.64085 297.7248       105.5716 277.3588       92.66066 107.5553 21.28465 104.3340 19.28663 3.221306       28.72299 
1 1 1 -17 -11 3  o 141.3027 12.57338 488.4758       84.05364 481.0544       154.6481 491.5872       100.1355 136.0093 24.69221 141.0578 15.08229 -5.048462      28.93407 
1 1 1 -17 -11 4  o 216.3885 10.17222 1133.865       104.9400 1088.653       198.9333 1151.298       123.5247 208.1207 20.24897 217.5305 11.92310 -9.409882      23.49853 
1 1 1 -17 -11 5  o 103.5462 17.21679 271.1138       82.23872 287.9682       183.1517 266.8575       92.03884 103.2025 32.92284 101.9590 19.59329 1.243484       38.31202 
1 1 1 -17 -11 6  o 247.8144 12.50709 1499.213       147.7014 1288.404       219.0677 1674.913       199.9954 225.7217 20.52423 260.1926 16.15716 -34.47084      26.12083 
1 1 1 -17 -11 7  o 139.1180 13.20259 476.6643       86.76027 320.7223       136.2297 583.0745       112.5335 109.1789 26.39325 153.1513 15.58618 -43.97243      30.65180 
1 1 1 -17 -11 8  o 295.1254 12.79952 2130.658       180.1668 1959.592       246.1277 2328.136       264.4461 279.5427 18.52080 305.0147 18.21761 -25.47208      25.97886 
1 1 1 -17 -11 9  o 279.9114 10.41158 1903.288       139.0875 1792.740       255.7878 1949.696       165.7303 265.8101 20.28110 282.4200 12.30387 -16.60983      23.72147 
1 1 1 -17 -11 10 o 151.8566 15.22956 574.6622       109.0772 663.0756       224.5172 547.3465       124.7947 153.9401 31.56677 146.9338 18.15050 7.006256       36.41294 
1 1 1 -17 -11 11 o 121.3848 14.16858 367.7444       80.67953 483.0914       158.3633 327.3122       93.75941 133.6879 25.71082 113.0034 17.95450 20.68451       31.35938 
1 1 1 -17 -11 12 o 206.3928 13.67310 1056.611       134.1574 1326.947       279.4680 975.6583       152.9306 220.5248 27.07485 196.7359 16.40859 23.78888       31.65896 
1 1 1 -17 -11 13 o 187.2754 14.50105 878.2898       128.8232 770.4396       287.4556 905.3937       144.1042 154.9828 38.86890 189.1843 16.08483 -34.20151      42.06558 
1 1 1 -17 -11 14 o 113.7428 16.03586 331.6551       84.78464 490.3515       181.5034 287.3618       95.88942 129.2946 29.95126 103.8374 20.04156 25.45721       36.03806 
1 1 1 -17 -11 15 o 77.90536 20.67545 165.2674       78.27562 -59.96771      183.2799 215.5154       86.56771 60.18436 27.69105 89.02179 20.72845 -28.83743      34.58993 
1 1 1 -17 -11 16 o 131.1234 17.01105 448.5557       104.1288 477.8511       322.3780 445.1433       110.0264 110.6779 42.82298 129.8445 18.22519 -19.16661      46.53993 
1 1 1 -17 -11 17 o 141.6063 17.09209 527.1511       113.3761 288.2049       374.6775 551.2354       118.9527 93.09001 41.50946 144.4668 17.58436 -51.37680      45.08043 
1 1 1 -17 -10 1  o 51.61210 20.23782 41.85192       72.76836 41.85192       72.76836 0.000000       0.000000 51.61210 20.23782 ?        ?        0.000000       20.23782 
1 1 1 -17 -10 2  o 131.1781 11.44270 419.6391       71.04509 421.5559       106.0505 418.0784       95.69196 129.7947 17.53860 129.8064 15.74077 -0.1173401E-01 23.56638 
1 1 1 -17 -10 3  f 159.7062 11.78585 621.3810       89.35539 465.8743       175.5257 675.7789       103.8143 132.1418 28.61400 166.2074 13.17232 -34.06555      31.50034 
1 1 1 -17 -10 4  o 194.0562 10.47830 912.9170       96.85293 844.3577       191.3905 936.5179       112.2926 182.1203 22.45639 196.1239 12.03396 -14.00362      25.47755 
1 1 1 -17 -10 5  o 279.0537 9.208795 1880.576       122.6885 1885.968       209.2615 1877.752       151.4487 276.7025 15.88536 278.0880 11.41561 -1.385498      19.56172 
1 1 1 -17 -10 6  o 171.5193 11.32989 716.7745       92.38638 743.0029       148.4338 700.1887       118.0365 172.0945 18.32224 168.3959 14.81223 3.698624       23.56070 
1 1 1 -17 -10 7  o 201.2577 10.77756 984.9409       103.3224 901.8384       175.4200 1029.086       127.8533 188.8360 19.72097 204.9049 13.12016 -16.06889      23.68660 
1 1 1 -17 -10 8  o 307.0989 9.584855 2283.556       140.5530 2325.682       243.3663 2262.472       172.1694 305.9955 16.69884 304.6561 11.84311 1.339447       20.47219 
1 1 1 -17 -10 9  o 116.1046 13.41907 334.2330       73.11759 355.3212       138.9296 326.1542       85.98999 114.7843 25.93036 113.7357 16.27761 1.048660       30.61608 
1 1 1 -17 -10 10 o 264.8026 10.87209 1707.145       137.3469 1880.834       265.8118 1643.882       160.4216 271.7510 20.61324 258.8326 13.00557 12.91840       24.37315 
1 1 1 -17 -10 11 o 177.4973 12.96097 776.1454       109.2280 715.4935       188.6411 806.7365       133.9712 164.1666 24.80808 179.7325 15.75011 -15.56593      29.38549 
1 1 1 -17 -10 12 o 125.2804 15.63587 396.1191       91.61809 289.1021       264.6357 410.6927       97.65731 101.5111 38.92323 127.2533 16.43538 -25.74221      42.25090 
1 1 1 -17 -10 13 o 79.61051 19.20840 168.2661       72.26235 300.9340       168.5289 138.3797       79.98866 101.2336 31.48650 72.06773 21.55242 29.16588       38.15635 
1 1 1 -17 -10 14 f 138.6402 14.65642 485.2586       95.67711 443.0356       192.8778 499.0392       110.1898 120.5943 32.65656 139.4487 16.87050 -18.85446      36.75683 
1 1 1 -17 -10 15 o 119.3704 15.67153 364.8609       87.27876 698.3407       193.4696 279.6525       97.79556 157.3112 26.67647 101.7490 20.80651 55.56214       33.83112 
1 1 1 -17 -10 16 o 135.5504 17.18976 478.4914       108.8969 656.7749       387.0455 463.1652       113.4811 123.7177 47.16238 132.5706 18.40011 -8.852852      50.62464 
1 1 1 -17 -10 17 o 81.12422 22.43441 187.0505       89.93254 525.3274       396.9248 168.7452       92.33376 108.4738 45.46827 76.92400 23.19048 31.54983       51.04079 
1 1 1 -17 -9  1  o 65.36944 23.59490 93.68256       94.45368 93.68256       94.45368 0.000000       0.000000 65.36944 23.59490 ?        ?        0.000000       23.59490 
1 1 1 -17 -9  2  o 114.3402 11.57414 319.7646       62.39931 258.0431       87.99277 382.2017       88.50132 100.6174 18.98814 124.1644 15.22726 -23.54700      24.33966 
1 1 1 -17 -9  3  o 98.49454 12.70000 239.3443       58.41272 216.2908       107.7842 248.9306       69.50449 90.84550 24.33076 99.88783 15.01875 -9.042328      28.59281 
1 1 1 -17 -9  4  o 48.00135 17.68885 46.06858       53.48658 -9.000215      90.86211 75.26939       66.16487 48.31059 21.02793 57.33904 19.83278 -9.028442      28.90524 
1 1 1 -17 -9  5  o 159.7551 10.82846 620.5142       82.21587 528.0572       137.1887 672.3293       102.7016 144.1692 20.47933 165.7011 13.06988 -21.53191      24.29454 
1 1 1 -17 -9  6  o 92.46315 18.84436 219.6568       80.47280 18.35630       176.3729 272.5808       90.43474 68.76296 29.61280 103.2016 19.03000 -34.43868      35.20027 
1 1 1 -17 -9  7  o 184.5299 12.30643 832.8267       107.9489 866.5743       198.8645 818.7285       128.5343 183.1681 23.23084 182.0020 14.90221 1.166031       27.59978 
1 1 1 -17 -9  8  o 127.7264 14.15356 404.6349       84.97928 351.4280       142.5945 433.9395       105.8245 114.0739 26.63241 131.2043 17.29104 -17.13042      31.75319 
1 1 1 -17 -9  9  o 174.6064 13.24188 750.3293       109.7155 601.8340       236.5676 791.0223       123.8394 144.7581 34.64502 178.7524 14.61857 -33.99428      37.60292 
1 1 1 -17 -9  10 o 42.57297 17.22918 21.97440       54.40660 14.61722       140.2544 23.27759       59.02881 61.33781 26.41108 44.15434 17.91807 17.18347       31.91555 
1 1 1 -17 -9  11 o 154.5204 15.35444 596.2585       111.9309 534.2468       263.2998 609.9371       123.6611 132.2770 38.98990 155.6144 16.89234 -23.33746      42.49192 
1 1 1 -17 -9  12 o 61.27114 22.82325 81.62695       89.47799 150.1983       159.9161 50.37465       107.9597 79.79550 30.33990 59.27205 24.16530 20.52346       38.78751 
1 1 1 -17 -9  13 f 158.4982 14.82949 630.5994       111.0675 599.8614       195.3347 645.2853       135.0179 145.3432 29.12655 158.5270 18.14107 -13.18385      34.31405 
1 1 1 -17 -9  14 o 75.44139 20.78357 153.6592       77.34873 340.9319       353.0949 144.2196       79.27418 104.3056 43.23555 73.13010 21.35016 31.17552       48.21972 
1 1 1 -17 -9  15 o 89.20145 20.69830 216.0305       86.56175 132.2523       367.2253 220.9593       89.07166 89.93132 40.51844 90.06533 21.06371 -0.1340103     45.66644 
1 1 1 -17 -9  16 o 86.57622 20.56684 205.1774       83.86000 277.6871       234.6778 194.5631       89.78838 94.09091 36.50076 83.60994 22.12263 10.48097       42.68156 
1 1 1 -17 -9  17 o 112.5968 22.68607 356.7983       117.8965 761.9373       211.4459 174.0232       142.0220 159.1497 28.85191 77.88973 28.80255 81.25994       40.76788 
1 1 1 -17 -9  18 o 62.51266 25.28997 85.08876       117.1788 242.6583       213.7121 17.35456       140.1190 86.16275 34.39660 57.77204 25.59389 28.39071       42.87392 
1 1 1 -17 -8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -8  2  o 127.7096 18.72880 411.2288       110.9549 411.2288       110.9549 0.000000       0.000000 127.7096 18.72880 ?        ?        0.000000       18.72880 
1 1 1 -17 -8  3  o 59.06730 19.76397 82.75451       65.63354 -168.1409      145.1953 147.1878       73.58024 48.14164 22.92426 75.58145 20.03976 -27.43981      30.44854 
1 1 1 -17 -8  4  o 55.82111 17.89092 75.71381       54.03754 -44.76423      94.60751 134.0508       65.83299 45.16294 20.43646 72.22758 18.86305 -27.06464      27.81121 
1 1 1 -17 -8  5  o 192.6036 11.31299 902.0952       103.7131 1064.666       182.1298 824.0810       126.1672 206.4145 18.65701 183.0377 14.53707 23.37674       23.65186 
1 1 1 -17 -8  6  o 79.01558 20.11679 162.0562       76.18143 179.9223       180.9056 158.2050       83.99194 87.59013 32.48555 78.01039 21.72160 9.579742       39.07863 
1 1 1 -17 -8  7  o 121.5699 15.36472 369.0124       87.31046 414.1251       205.2586 359.0466       96.47347 120.8675 34.06596 119.1760 17.44897 1.691498       38.27474 
1 1 1 -17 -8  8  o 179.5266 12.05171 788.5947       102.8402 709.0804       173.0136 832.0375       127.8843 165.5981 22.42936 183.4132 14.70721 -17.81512      26.82123 
1 1 1 -17 -8  9  o 235.8969 10.89466 1354.970       122.5377 1704.718       256.4531 1251.495       139.4916 258.5743 20.92362 225.8268 12.97466 32.74748       24.61991 
1 1 1 -17 -8  10 o 62.39709 21.80257 92.01673       80.06197 390.5983       146.4543 -35.24514      95.61361 119.9949 26.25986 46.03093 20.71265 73.96397       33.44539 
1 1 1 -17 -8  11 o 103.0138 15.28134 267.7462       72.98214 193.0961       159.6332 287.4727       82.06041 86.37424 30.73322 106.3004 16.69670 -19.92614      34.97586 
1 1 1 -17 -8  12 o 110.2682 21.40515 321.4827       108.7735 278.1779       326.4500 326.8910       115.3660 103.0883 42.02431 110.6621 22.57140 -7.573814      47.70231 
1 1 1 -17 -8  13 o 117.5822 19.58704 362.2033       106.2364 68.02100       211.1747 461.8831       122.9242 75.31688 32.41876 132.8562 19.97024 -57.53931      38.07606 
1 1 1 -17 -8  14 o 105.5258 22.07870 302.6086       107.8046 522.9792       217.3348 230.6927       124.1552 129.6223 34.47466 90.00669 26.83553 39.61564       43.68807 
1 1 1 -17 -8  15 o 87.30142 24.35554 214.6824       105.4866 242.7358       191.4198 202.4476       126.4136 90.65984 33.45387 84.21715 27.39644 6.442688       43.24033 
1 1 1 -17 -8  16 o 71.10110 25.29831 134.4696       108.1654 283.7459       197.9484 70.92330       129.1522 94.88160 34.16910 63.61465 26.23753 31.26695       43.08057 
1 1 1 -17 -8  17 o 89.93000 25.77767 239.6959       116.5432 230.3041       212.4079 243.7410       139.3999 86.46485 34.36563 89.06236 28.75323 -2.597504      44.80786 
1 1 1 -17 -8  18 o 105.8821 26.64715 341.7702       134.7668 205.2229       332.3271 368.6450       147.4337 85.33442 38.48743 108.6771 28.15225 -23.34265      47.68471 
1 1 1 -17 -7  1  o 71.62566 15.46211 130.2509       51.39420 130.2509       51.39420 0.000000       0.000000 71.62566 15.46211 ?        ?        0.000000       15.46211 
1 1 1 -17 -7  2  o 148.1199 12.13766 535.8302       85.19897 535.8302       85.19897 0.000000       0.000000 148.1199 12.13766 ?        ?        0.000000       12.13766 
1 1 1 -17 -7  3  o 116.4544 10.86330 330.9278       59.78427 404.1306       99.17753 289.1461       74.92778 127.1834 16.71496 107.7766 14.94302 19.40677       22.42061 
1 1 1 -17 -7  4  o 201.7277 9.673233 984.7342       93.02041 1139.365       185.3503 932.6765       107.5446 213.8042 18.30903 195.8053 11.53946 17.99883       21.64208 
1 1 1 -17 -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -7  6  o 294.5909 12.71107 2118.221       178.6021 2228.005       266.4049 2028.595       240.7084 298.5709 18.75801 285.5193 17.72121 13.05157       25.80512 
1 1 1 -17 -7  7  o 38.70950 17.42307 -28.86510      67.70801 -164.2945      202.9549 -11.90468      71.82267 59.47078 27.95162 42.28064 18.54267 17.19014       33.54286 
1 1 1 -17 -7  8  o 314.7052 9.473606 2398.504       142.3747 2526.742       268.3337 2348.255       167.9680 317.9567 17.72233 310.5241 11.33319 7.432587       21.03621 
1 1 1 -17 -7  9  o 201.0374 13.28768 994.4972       126.9966 1060.057       273.4663 976.4708       143.3972 196.9053 29.99565 198.3138 15.24128 -1.408432      33.64574 
1 1 1 -17 -7  10 o 149.9170 13.88477 557.0973       98.38654 396.8356       196.1050 611.0051       113.7364 117.2195 33.38629 156.4330 15.40745 -39.21350      36.77002 
1 1 1 -17 -7  11 o 289.0051 10.83656 2036.171       149.4636 2172.433       340.1591 2003.569       166.3859 286.8527 25.05482 285.9382 12.19931 0.9145203      27.86695 
1 1 1 -17 -7  12 o 96.89722 17.33447 242.0604       77.35442 345.3548       300.0988 234.7089       80.05979 107.8994 41.42979 95.01673 18.28773 12.88268       45.28652 
1 1 1 -17 -7  13 o 148.4393 15.26407 555.8664       106.7826 412.2256       194.5841 617.7652       127.7348 116.7971 33.25348 155.3226 17.50607 -38.52556      37.57999 
1 1 1 -17 -7  14 f 49.82089 21.58022 6.089199       94.74369 205.5700       179.4463 -71.01066      111.5605 86.14641 32.27442 45.80831 21.26173 40.33810       38.64841 
1 1 1 -17 -7  15 o 191.3261 13.85924 919.6171       125.9123 1079.592       234.4085 854.7411       149.2758 196.7615 25.51922 181.9440 17.37168 14.81754       30.87079 
1 1 1 -17 -7  16 o 45.16875 20.48437 -32.52911      95.68594 71.00294       152.7253 -99.42891      122.7682 66.48587 28.05568 45.70462 21.56093 20.78125       35.38354 
1 1 1 -17 -7  17 f 176.1565 14.90797 796.0115       124.3748 755.0507       204.9033 819.9073       156.5039 159.0078 27.97494 175.2105 18.98649 -16.20277      33.80953 
1 1 1 -17 -7  18 o 44.34977 20.62644 -57.84919      105.8167 19.45744       173.2052 -103.8855      133.6604 62.07554 27.90958 46.70285 22.16907 15.37269       35.64284 
1 1 1 -17 -6  1  o 169.3290 10.81785 696.5850       87.11708 696.5850       87.11708 0.000000       0.000000 169.3290 10.81785 ?        ?        0.000000       10.81785 
1 1 1 -17 -6  2  o 170.1479 11.38613 704.5651       92.08827 704.5651       92.08827 0.000000       0.000000 170.1479 11.38613 ?        ?        0.000000       11.38613 
1 1 1 -17 -6  3  o 105.6467 9.869272 271.8893       49.27133 273.2159       73.39075 270.8006       66.48091 104.6271 15.10912 104.5619 13.62245 0.6519318E-01  20.34347 
1 1 1 -17 -6  4  o 114.7193 11.44374 322.1966       61.92781 262.1632       103.4268 355.7481       77.32001 100.2410 22.17021 120.0093 13.72266 -19.76836      26.07354 
1 1 1 -17 -6  5  o 219.4538 8.971731 1163.969       93.93148 1239.626       182.7583 1136.809       109.5014 223.2672 17.25540 216.4007 10.61647 6.866455       20.25977 
1 1 1 -17 -6  6  o 82.77682 18.25305 176.7426       70.29044 -9.342465      216.3348 198.7062       74.32298 72.28443 31.92278 87.86192 18.28909 -15.57749      36.79068 
1 1 1 -17 -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -6  8  o 130.7386 14.78812 425.9787       90.81177 256.1509       267.7163 448.0602       96.53523 100.6191 38.99865 133.9145 15.35567 -33.29533      41.91290 
1 1 1 -17 -6  9  o 285.9029 10.24513 1986.912       139.8111 1673.758       293.9779 2078.443       158.9357 252.5466 24.66199 291.8423 11.41308 -39.29576      27.17485 
1 1 1 -17 -6  10 o 302.0164 10.09676 2217.372       145.5827 1961.791       295.6101 2299.209       167.2745 274.9534 22.68984 306.8330 11.42295 -31.87961      25.40300 
1 1 1 -17 -6  11 o 127.5419 13.62614 404.7401       81.80154 327.7901       173.2325 426.8222       92.79939 106.8581 31.65906 130.4185 15.16579 -23.56034      35.10409 
1 1 1 -17 -6  12 o 79.75665 22.38014 171.0808       88.79438 179.8557       171.7204 167.8782       103.7399 84.14897 31.56246 79.01585 24.72322 5.133125       40.09272 
1 1 1 -17 -6  13 o 171.1427 12.83481 727.5913       104.2512 597.7260       177.9567 795.4469       128.6354 146.5644 26.36604 177.6106 15.29790 -31.04619      30.48268 
1 1 1 -17 -6  14 o 177.8797 13.27197 790.9876       112.0543 811.5850       189.4888 779.9115       138.9537 172.5065 23.59331 174.3121 16.88499 -1.805603      29.01288 
1 1 1 -17 -6  15 o 90.46181 22.96497 229.0630       99.48015 162.6817       164.0821 267.6454       125.0930 78.78519 30.53248 95.94370 26.43038 -17.15851      40.38314 
1 1 1 -17 -6  16 o 58.72326 23.50259 67.29050       100.0354 -49.66451      167.2154 132.4785       124.8391 57.52949 26.46230 71.40222 26.88366 -13.87273      37.72246 
1 1 1 -17 -6  17 o 165.6538 17.30086 723.2181       135.0003 674.0482       302.3321 735.4636       150.8772 128.2171 42.40493 165.0660 19.49434 -36.84897      46.67127 
1 1 1 -17 -6  18 o 105.4630 24.69531 332.0711       122.3103 694.5181       296.2646 257.6043       134.2885 127.3932 41.97058 89.86145 28.13061 37.53176       50.52584 
1 1 1 -17 -5  1  o 281.0531 8.997234 1906.755       120.7385 1906.755       120.7385 0.000000       0.000000 281.0531 8.997234 ?        ?        0.000000       8.997234 
1 1 1 -17 -5  2  o 240.7383 9.085879 1399.991       104.3856 1399.991       104.3856 0.000000       0.000000 240.7383 9.085879 ?        ?        0.000000       9.085879 
1 1 1 -17 -5  3  o 203.5596 10.13211 1004.418       98.29523 1004.418       98.29523 0.000000       0.000000 203.5596 10.13211 ?        ?        0.000000       10.13211 
1 1 1 -17 -5  4  f 327.5325 6.565829 2577.455       102.8140 2431.945       133.0930 2792.792       161.9073 317.4027 8.779173 339.6740 9.980840 -22.27133      13.29252 
1 1 1 -17 -5  5  o 383.4002 9.204318 3551.039       168.7145 3718.060       387.7395 3512.031       187.3833 383.2363 21.24555 380.6499 10.30615 2.586426       23.61335 
1 1 1 -17 -5  6  o 95.11533 12.46888 224.2991       55.33641 222.1397       163.2496 224.5795       58.81859 91.63821 31.17016 94.94020 13.32482 -3.301994      33.89881 
1 1 1 -17 -5  7  o 230.4573 8.974249 1285.936       98.68839 1616.818       205.0242 1186.152       112.5900 254.4476 16.95048 220.7266 10.70121 33.72099       20.04582 
1 1 1 -17 -5  8  o 124.1073 13.48999 382.1635       78.75564 271.6575       149.9429 424.2636       92.54964 98.98750 29.48573 130.2424 15.14543 -31.25491      33.14804 
1 1 1 -17 -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -5  10 o 142.3689 13.83579 503.7506       92.98694 382.7220       210.3836 533.1340       103.6619 113.7294 35.14790 145.9918 15.06816 -32.26241      38.24165 
1 1 1 -17 -5  11 o 174.5553 12.70777 752.2711       105.3236 590.1539       228.9361 795.7957       118.6224 141.1488 34.27299 178.9729 13.97415 -37.82408      37.01236 
1 1 1 -17 -5  12 o 207.9099 11.91662 1064.903       117.9543 1271.733       196.6535 948.6771       147.4163 222.6514 18.64536 193.8708 16.04832 28.78062       24.60077 
1 1 1 -17 -5  13 o 44.41830 20.03771 -30.22598      90.13389 -62.06790      229.6770 -24.42937      97.99519 67.07298 30.91043 47.02782 21.08051 20.04516       37.41447 
1 1 1 -17 -5  14 o 67.50897 20.16768 122.5763       70.06876 140.7113       243.0027 120.9318       73.17684 82.02386 35.02972 67.12414 20.72642 14.89972       40.70216 
1 1 1 -17 -5  15 o 46.07075 21.00613 -39.32685      102.3236 15.71848       259.1575 -49.49278      111.3723 73.55837 33.49710 47.19466 21.66724 26.36371       39.89392 
1 1 1 -17 -5  16 o 84.77407 26.58733 213.1850       119.9019 311.1084       461.5852 206.0995       124.1641 96.58113 44.25509 83.30145 27.15529 13.27968       51.92228 
1 1 1 -17 -5  17 o 51.92640 22.64541 16.43414       105.8104 -206.4771      302.5266 47.50331       112.9438 64.43212 31.28181 56.89014 24.07245 7.541985       39.47195 
1 1 1 -17 -5  18 o 55.48663 22.59392 61.28096       94.23518 -172.9426      170.5677 164.1831       113.0560 48.89069 23.67789 73.88065 25.90172 -24.98995      35.09333 
1 1 1 -17 -4  1  o 105.3905 13.89267 275.6969       68.29651 275.6969       68.29651 0.000000       0.000000 105.3905 13.89267 ?        ?        0.000000       13.89267 
1 1 1 -17 -4  2  f 84.90593 16.04535 182.8524       62.74616 182.8524       62.74616 0.000000       0.000000 84.90593 16.04535 ?        ?        0.000000       16.04535 
1 1 1 -17 -4  3  o 123.9280 12.67481 377.9390       74.03990 377.9390       74.03990 0.000000       0.000000 123.9280 12.67481 ?        ?        0.000000       12.67481 
1 1 1 -17 -4  4  o 72.43781 21.74711 135.2822       81.32182 135.2822       81.32182 0.000000       0.000000 72.43781 21.74711 ?        ?        0.000000       21.74711 
1 1 1 -17 -4  5  o 127.4258 10.83603 397.1018       65.38840 628.6257       158.8682 349.8809       71.74741 155.8865 21.92147 119.0073 12.81185 36.87916       25.39084 
1 1 1 -17 -4  6  o 38.11783 14.46241 26.23630       36.28960 34.56397       164.0789 25.80798       37.21114 67.50092 28.80470 38.28008 14.61602 29.22083       32.30076 
1 1 1 -17 -4  7  o 83.01608 13.51968 173.2210       51.81351 19.43307       178.0845 187.4433       54.15639 68.07147 29.53557 86.41890 13.55324 -18.34743      32.49677 
1 1 1 -17 -4  8  o 64.78953 16.19023 108.4269       50.00449 375.6831       187.4298 87.94664       51.88509 114.0212 32.69260 58.68756 17.31050 55.33366       36.99270 
1 1 1 -17 -4  9  o 301.8641 8.898897 2208.366       128.2867 2554.664       256.5100 2092.857       148.1450 319.1547 16.87098 293.0232 10.59233 26.13147       19.92052 
1 1 1 -17 -4  10 o 135.3008 14.99028 459.3049       95.34096 437.8715       346.1241 461.0647       99.17770 116.9279 44.59339 135.2945 15.61937 -18.36660      47.24971 
1 1 1 -17 -4  11 o 61.37866 21.66949 90.37299       79.22772 344.1917       208.1751 47.38229       85.67502 106.7523 35.18246 54.31334 21.74602 52.43900       41.36054 
1 1 1 -17 -4  12 o 110.6074 19.13498 322.0689       97.52512 588.1370       301.0193 290.8658       103.0852 129.6785 42.28237 103.8054 21.48018 25.87318       47.42570 
1 1 1 -17 -4  13 o 104.9860 20.15428 296.0821       97.48248 75.23447       230.5036 344.1849       107.5762 76.01838 33.28185 113.0913 20.65756 -37.07291      39.17163 
1 1 1 -17 -4  14 o 105.0962 18.69900 294.2076       90.50977 134.2013       148.8584 388.0567       114.0040 73.75872 28.93835 119.7854 20.65278 -46.02666      35.55229 
1 1 1 -17 -4  15 o 105.8667 16.12618 292.2205       79.04607 133.7180       176.9561 331.7322       88.35078 75.19060 30.82973 112.4436 16.96210 -37.25301      35.18785 
1 1 1 -17 -4  16 o 75.84909 24.66861 167.0243       102.4962 315.4371       250.9973 137.3230       112.2849 94.04568 37.36410 70.48224 25.68502 23.56344       45.34089 
1 1 1 -17 -4  17 o 47.13523 20.59184 8.719919       87.81977 94.65765       156.6989 -30.63223      106.0372 66.87176 28.32795 46.69321 21.32588 20.17854       35.45794 
1 1 1 -17 -3  1  o 106.9131 12.57775 282.1566       63.06130 282.1566       63.06130 0.000000       0.000000 106.9131 12.57775 ?        ?        0.000000       12.57775 
1 1 1 -17 -3  2  o 65.85104 20.55531 109.5128       71.75507 109.5128       71.75507 0.000000       0.000000 65.85104 20.55531 ?        ?        0.000000       20.55531 
1 1 1 -17 -3  3  o 92.36569 20.02043 222.2966       85.85239 222.2966       85.85239 0.000000       0.000000 92.36569 20.02043 ?        ?        0.000000       20.02043 
1 1 1 -17 -3  4  o 42.49250 17.21261 21.61556       54.35938 21.61556       54.35938 0.000000       0.000000 42.49250 17.21261 ?        ?        0.000000       17.21261 
1 1 1 -17 -3  5  o 123.5648 13.09907 378.1071       76.20543 378.1071       76.20543 0.000000       0.000000 123.5648 13.09907 ?        ?        0.000000       13.09907 
1 1 1 -17 -3  6  o 124.0377 9.880169 375.5612       58.10650 510.5820       160.5508 355.2096       62.33203 137.9029 25.28323 120.3212 10.95583 17.58166       27.55489 
1 1 1 -17 -3  7  o 176.6980 8.968698 757.9091       75.51735 764.3488       151.4861 755.7795       87.11357 173.2270 18.58154 175.9888 10.39999 -2.761780      21.29398 
1 1 1 -17 -3  8  o 173.2848 11.08253 735.3560       91.33253 369.1847       200.5582 831.1615       102.5872 111.8225 34.27416 184.0130 11.72196 -72.19052      36.22323 
1 1 1 -17 -3  9  o 252.6360 10.04144 1554.829       121.0414 1446.228       231.8734 1595.507       141.9114 236.5792 20.70918 255.0936 11.66704 -18.51437      23.76952 
1 1 1 -17 -3  10 o 57.58881 19.89093 80.01842       66.54404 12.62602       127.5923 105.1980       77.99084 57.87483 25.05615 64.47421 21.54382 -6.599384      33.04462 
1 1 1 -17 -3  11 o 95.23627 19.23558 240.4581       84.56307 522.9836       278.0417 211.6607       88.76820 124.0987 40.64749 88.38085 21.26723 35.71786       45.87498 
1 1 1 -17 -3  12 o 120.8636 32.87279 454.3956       194.9359 454.3956       194.9359 0.000000       0.000000 120.8636 32.87279 ?        ?        0.000000       32.87279 
1 1 1 -17 -3  13 o 145.0473 15.75968 540.3358       107.5315 578.8538       316.9226 535.3245       114.3127 122.0397 43.31573 143.5893 16.98007 -21.54955      46.52500 
1 1 1 -17 -3  14 o 122.0632 19.07019 398.3478       107.6496 628.7747       332.0045 371.2763       113.7976 123.7844 44.29127 116.3362 21.24271 7.448143       49.12198 
1 1 1 -17 -3  15 o 140.4599 16.46105 515.5637       108.4450 396.8251       221.1414 553.1589       124.4342 105.4975 36.26797 143.9944 18.50241 -38.49683      40.71492 
1 1 1 -17 -3  16 f 118.8541 15.98271 372.3704       88.51848 283.3907       357.8292 378.1705       91.35793 89.07064 40.07525 119.4858 16.42701 -30.41516      43.31134 
1 1 1 -17 -3  17 o 56.81079 22.85552 70.75442       95.11972 183.7722       220.6721 44.96378       105.4156 77.74491 33.29614 54.56900 23.18028 23.17591       40.57042 
1 1 1 -17 -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -2  3  o 266.1361 7.628900 1709.345       96.96741 1709.345       96.96741 0.000000       0.000000 266.1361 7.628900 ?        ?        0.000000       7.628900 
1 1 1 -17 -2  4  o 157.6127 9.383677 603.9724       70.38860 603.9724       70.38860 0.000000       0.000000 157.6127 9.383677 ?        ?        0.000000       9.383677 
1 1 1 -17 -2  5  o 48.98625 18.01516 50.21953       55.43139 50.21953       55.43139 0.000000       0.000000 48.98625 18.01516 ?        ?        0.000000       18.01516 
1 1 1 -17 -2  6  o 225.1807 8.885066 1230.002       95.46560 1178.013       155.9097 1261.186       120.7485 217.4077 15.09367 227.0764 11.15663 -9.668671      18.76937 
1 1 1 -17 -2  7  o 89.09394 14.87711 201.6481       61.13580 77.22639       134.0616 234.3168       68.69457 67.03180 27.07483 95.96873 15.50022 -28.93693      31.19780 
1 1 1 -17 -2  8  o 137.1884 10.68987 461.7462       69.55988 471.3440       157.0422 459.4035       77.58595 131.0194 25.98896 136.3793 12.02240 -5.359848      28.63502 
1 1 1 -17 -2  9  o 202.0873 10.38872 999.0956       100.0345 1036.778       167.3142 978.1315       124.7962 201.7224 17.52249 198.5536 13.22199 3.168869       21.95128 
1 1 1 -17 -2  10 o 38.40809 17.45977 -32.99654      70.02423 -35.66829      170.1437 -32.45172      76.83294 60.33692 27.34417 40.52906 18.37050 19.80786       32.94205 
1 1 1 -17 -2  11 o 113.9816 16.08410 334.9528       85.21419 440.9530       197.1317 310.5943       94.49930 118.3216 33.39740 108.2151 18.95598 10.10645       38.40203 
1 1 1 -17 -2  12 o 60.01712 22.65988 83.23121       88.83128 -39.61321      226.0835 105.6584       96.60033 66.54086 30.66609 64.92298 23.79768 1.617874       38.81673 
1 1 1 -17 -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -2  14 o 159.4492 13.64027 645.8886       102.9831 960.5314       199.5117 531.6071       120.2396 185.3732 23.00540 141.3728 18.21256 44.00040       29.34188 
1 1 1 -17 -2  15 o 106.9873 18.54113 311.6947       91.40200 374.8069       175.1745 288.0844       107.1433 104.9943 32.00306 99.58341 22.97239 5.410927       39.39450 
1 1 1 -17 -2  16 f 87.98229 21.45885 224.8249       89.44305 353.7976       178.2745 181.4391       103.3984 99.28294 32.54957 77.10706 24.75158 22.17589       40.89150 
1 1 1 -17 -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -1  6  f 90.02015 13.04880 203.3613       54.52348 203.3613       54.52348 0.000000       0.000000 90.02015 13.04880 ?        ?        0.000000       13.04880 
1 1 1 -17 -1  7  o 68.48151 25.00368 112.4367       106.4806 112.4367       106.4806 0.000000       0.000000 68.48151 25.00368 ?        ?        0.000000       25.00368 
1 1 1 -17 -1  8  o 160.4536 9.955002 630.2308       75.98974 614.4814       156.6216 635.0797       86.90363 151.6734 22.26112 160.4905 11.40031 -8.817139      25.01049 
1 1 1 -17 -1  9  o 160.7518 10.79159 636.7359       82.45677 466.4713       178.1509 683.1558       93.02039 125.3383 30.10808 166.0580 11.79357 -40.71970      32.33550 
1 1 1 -17 -1  10 o 85.22857 16.13418 189.9232       63.33493 435.4082       186.7059 158.0014       67.32702 118.0845 32.19394 76.65411 18.56964 41.43038       37.16560 
1 1 1 -17 -1  11 o 53.93381 19.84408 67.43919       67.27074 -60.49889      205.3002 82.82784       71.20162 62.33952 28.90293 57.78951 20.52919 4.550011       35.45175 
1 1 1 -17 -1  12 o 84.19894 21.48932 198.7282       86.78230 451.5382       235.7119 159.0864       93.33857 112.3351 37.45166 74.95546 23.45082 37.37965       44.18787 
1 1 1 -17 -1  13 o 132.3820 13.02226 444.4865       81.35258 773.8425       272.4393 412.2439       85.24167 146.6158 38.41328 126.6987 14.32337 19.91713       40.99682 
1 1 1 -17 -1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 -1  15 o 52.79839 21.99151 47.29571       91.98251 503.3354       375.5066 18.18508       94.87288 98.25079 42.75672 49.37430 21.48903 48.87649       47.85306 
1 1 1 -17 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0   8  o 109.2492 21.39705 325.2607       107.7583 325.2607       107.7583 0.000000       0.000000 109.2492 21.39705 ?        ?        0.000000       21.39705 
1 1 1 -17 0   9  o 80.11154 13.46647 164.5540       49.74922 98.98672       124.4541 177.0237       54.27411 66.53292 26.34967 82.85769 14.21241 -16.32477      29.93823 
1 1 1 -17 0   10 o 60.51734 18.83941 97.65556       60.31895 198.0236       130.5582 70.41795       68.01286 81.88198 27.87462 54.55124 19.97276 27.33075       34.29148 
1 1 1 -17 0   11 o 104.7582 15.64471 286.3120       75.95712 133.3910       173.0134 322.8237       84.54005 74.05083 30.43666 110.8801 16.44544 -36.82927      34.59542 
1 1 1 -17 0   12 o 83.41624 21.85494 198.9455       88.18752 198.2349       199.3479 199.1183       98.33274 81.33195 32.95607 82.46901 23.69059 -1.137054      40.58752 
1 1 1 -17 0   13 o 84.83453 16.53940 194.0089       64.67023 101.4008       230.2338 201.9415       67.38306 72.63322 32.45296 86.37413 16.92322 -13.74091      36.60041 
1 1 1 -17 0   14 f 63.43066 20.15041 114.1608       68.66843 255.1833       262.9578 103.8402       71.13678 83.26742 36.00997 60.96329 20.57728 22.30412       41.47459 
1 1 1 -17 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1   9  o 106.3230 19.63774 308.1245       96.14588 308.1245       96.14588 0.000000       0.000000 106.3230 19.63774 ?        ?        0.000000       19.63774 
1 1 1 -17 1   10 o 66.42480 31.43709 -83.32365      264.9506 -83.32365      264.9506 0.000000       0.000000 66.42480 31.43709 ?        ?        0.000000       31.43709 
1 1 1 -17 1   11 o 106.5462 13.94492 293.7313       69.33012 475.3934       246.2757 278.0954       72.25222 109.3031 38.23564 102.9626 15.12870 6.340576       41.11985 
1 1 1 -17 1   12 o 116.4527 14.99699 356.7545       81.55893 26.83930       159.6359 473.2891       94.87606 59.88522 26.86997 134.2855 15.03598 -74.40027      30.79084 
1 1 1 -17 1   13 o 16.92349 8.571090 -118.3761      34.72146 -246.3210      160.2816 -112.0763      35.56600 43.18455 21.32936 17.64700 8.906498 25.53755       23.11423 
1 1 1 -17 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2   11 o 44.91964 15.63944 50.38010       41.17524 23.54285       70.79663 64.09826       50.61644 44.94465 19.04018 49.81555 17.34025 -4.870903      25.75291 
1 1 1 -17 2   12 o 66.39698 18.15344 125.3595       59.26714 206.5255       137.7005 106.9048       65.66010 77.93807 28.43739 61.12419 19.73359 16.81388       34.61357 
1 1 1 -17 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -22 1  o 37.29953 18.00752 -128.8848      96.73660 -128.8848      96.73660 0.000000       0.000000 37.29953 18.00752 ?        ?        0.000000       18.00752 
1 1 1 -16 -21 1  o 207.3924 14.94410 1082.172       147.1801 1082.172       147.1801 0.000000       0.000000 207.3924 14.94410 ?        ?        0.000000       14.94410 
1 1 1 -16 -21 2  o 70.64880 17.20544 131.9711       57.56517 30.14151       93.12832 194.9360       73.23087 52.65303 22.04394 85.66460 18.42794 -33.01158      28.73194 
1 1 1 -16 -21 3  o 128.0742 12.20828 409.3055       73.84905 309.5206       108.2397 496.2076       101.0112 106.3074 22.02168 139.4751 15.40470 -33.16770      26.87488 
1 1 1 -16 -21 4  f 176.1852 11.10721 767.7380       93.08223 777.8755       132.1810 757.7653       131.1020 174.2500 16.04684 171.9011 16.14111 2.348953       22.76041 
1 1 1 -16 -21 5  o 134.3700 11.35834 448.9419       72.28409 447.3312       101.5184 450.5983       102.9468 131.3934 16.52548 131.7620 16.71818 -0.3685608     23.50721 
1 1 1 -16 -20 1  o 232.3430 14.82038 1347.433       163.7673 1347.433       163.7673 0.000000       0.000000 232.3430 14.82038 ?        ?        0.000000       14.82038 
1 1 1 -16 -20 2  o 149.6963 11.33689 551.5108       80.53278 668.4427       107.3349 400.8996       121.8157 163.7776 13.83748 122.9051 21.51461 40.87253       25.58035 
1 1 1 -16 -20 3  o 52.42307 19.80219 56.09421       67.85724 108.1150       89.29613 -15.00143      104.3917 65.96472 23.02719 49.89376 22.09811 16.07096       31.91517 
1 1 1 -16 -20 4  o 55.33966 18.52296 75.57502       57.64927 82.23920       106.6647 72.82506       68.51897 63.24302 24.58736 56.05032 20.11330 7.192703       31.76607 
1 1 1 -16 -20 5  o 112.7389 13.38954 319.4417       70.76064 383.2322       112.4964 277.6806       91.02192 120.1431 20.30835 102.4014 19.29995 17.74169       28.01637 
1 1 1 -16 -20 6  o 39.24829 16.69325 6.694212       54.78878 77.74554       98.39108 -25.23912      65.96169 60.80246 23.62124 37.99016 17.13938 22.81231       29.18427 
1 1 1 -16 -20 7  o 64.94685 20.65935 112.2306       72.16100 148.6306       205.3264 107.1011       77.07792 79.91973 33.03399 63.97885 21.41803 15.94088       39.36974 
1 1 1 -16 -19 1  o 149.2199 11.28634 545.3927       79.92013 612.6284       122.7000 495.8488       105.3270 156.0625 16.70469 140.5567 15.95601 15.50574       23.10067 
1 1 1 -16 -19 2  o 218.8362 10.26086 1166.452       107.0534 1333.460       146.9412 977.5353       156.2829 232.5854 13.26963 197.2421 16.73080 35.34331       21.35422 
1 1 1 -16 -19 3  o 159.1393 11.77914 622.6913       88.98358 567.6072       126.5320 676.5898       125.1628 149.1093 18.12113 163.9652 16.17723 -14.85590      24.29152 
1 1 1 -16 -19 4  o 76.69576 19.75443 155.8256       72.87502 161.5178       97.16417 148.5061       110.1804 77.67422 23.86513 75.54382 25.60847 2.130402       35.00484 
1 1 1 -16 -19 5  o 158.9258 12.48103 624.5748       94.07126 505.1761       135.9244 734.3402       130.3258 138.5552 21.19194 170.5468 16.17717 -31.99156      26.66081 
1 1 1 -16 -19 6  o 98.42599 25.66528 269.9359       121.9989 119.3421       181.5163 394.0137       164.7628 77.20135 31.38679 116.9392 29.48269 -39.73784      43.06227 
1 1 1 -16 -19 7  o 102.9911 21.78412 286.1887       103.9076 271.4645       130.6752 311.5062       171.3511 97.73931 27.04813 102.3913 31.73320 -4.651955      41.69649 
1 1 1 -16 -19 8  o 50.26464 21.69668 8.995625       95.10703 -81.59013      122.1314 148.5659       151.5981 47.37241 22.07500 77.03326 29.47935 -29.66084      36.82849 
1 1 1 -16 -19 9  f 94.10247 26.45764 256.1714       123.9693 -6.095217      236.5841 355.4387       145.5517 70.68795 32.11766 110.2379 27.66460 -39.54996      42.38956 
1 1 1 -16 -19 10 o 90.99013 24.28387 236.0908       107.6033 306.9140       158.7802 175.9393       146.3294 99.87545 30.47385 79.46194 29.26211 20.41351       42.24839 
1 1 1 -16 -18 1  o 65.67370 22.38175 103.8454       84.17681 121.1724       120.8596 87.52186       117.3078 72.93666 26.63720 67.13258 25.86995 5.804077       37.13213 
1 1 1 -16 -18 2  o 55.67016 19.28583 71.64621       62.57623 110.2707       74.36883 -22.00771      115.8037 66.18941 20.96326 52.64364 23.29740 13.54577       31.34050 
1 1 1 -16 -18 3  o 140.6436 11.96264 485.2847       79.67436 394.1172       114.8406 569.8901       110.6305 123.7270 20.10381 151.2350 15.52079 -27.50805      25.39800 
1 1 1 -16 -18 4  o 143.7640 12.98466 509.9963       88.28500 674.6499       127.7136 359.3069       122.1780 164.0361 16.50936 116.6473 22.72562 47.38876       28.08938 
1 1 1 -16 -18 5  o 125.3834 16.51776 397.7715       96.60873 537.0498       173.4787 335.1598       116.3140 140.4198 26.81872 112.3939 22.43253 28.02590       34.96372 
1 1 1 -16 -18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -18 10 o 68.24033 25.59245 111.2425       112.8956 112.5517       252.3891 110.9151       126.2277 81.63882 35.29224 69.53391 26.82489 12.10491       44.32964 
1 1 1 -16 -18 11 o 81.51096 21.26752 182.5247       83.73801 223.3940       266.2211 178.0372       88.21555 90.36690 37.50727 80.19266 22.23546 10.17424       43.60288 
1 1 1 -16 -18 12 o 158.0509 13.62933 630.0618       101.9813 628.2408       174.7543 631.0021       125.5830 148.8490 25.47206 155.8725 17.13426 -7.023499      30.69868 
1 1 1 -16 -17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -17 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -17 4  o 179.9660 11.18482 789.1817       95.75819 879.8601       149.4503 726.0264       124.7239 187.8933 16.81464 171.1266 15.40976 16.76663       22.80773 
1 1 1 -16 -17 5  o 39.85129 16.23160 16.97908       48.65089 54.47813       97.23746 4.457322       56.18961 58.51852 23.25388 39.88942 16.93328 18.62910       28.76593 
1 1 1 -16 -17 6  o 102.2170 14.16295 261.1783       67.35527 118.1319       120.8271 325.6718       81.13045 72.09071 26.58282 113.9651 15.27455 -41.87444      30.65874 
1 1 1 -16 -17 7  o 107.1954 16.19784 291.3315       80.42531 279.9507       192.3341 293.7432       88.53746 99.86902 33.83467 106.9861 17.94456 -7.117065      38.29872 
1 1 1 -16 -17 8  o 26.26589 12.77074 -85.82258      50.91615 -154.2906      108.9628 -66.69628      57.59033 39.54073 19.09497 30.62818 14.54252 8.912548       24.00214 
1 1 1 -16 -17 9  o 201.4486 13.71292 1007.324       131.2821 923.6647       246.9580 1040.278       154.9971 181.5021 29.46975 203.3474 16.07389 -21.84523      33.56838 
1 1 1 -16 -17 10 o 101.3964 16.47531 263.9730       77.12743 192.8821       149.1544 289.9200       90.10991 84.45545 29.73956 105.4593 18.54917 -21.00382      35.05015 
1 1 1 -16 -17 11 o 70.93985 20.70436 134.3298       74.56103 -139.0139      233.6395 165.3246       78.67481 63.67080 29.94586 78.36304 20.69611 -14.69224      36.40169 
1 1 1 -16 -17 12 o 59.91348 21.03351 88.55771       74.56898 198.5453       231.3630 75.80784       78.77255 87.30411 35.45704 57.76363 21.43398 29.54048       41.43207 
1 1 1 -16 -17 13 o 101.4958 17.34595 270.7025       81.14812 180.7306       155.3428 304.4682       95.16472 80.63279 30.06497 106.6524 19.37719 -26.01957      35.76839 
1 1 1 -16 -16 1  o 285.0938 10.07520 1966.404       137.1092 2028.829       170.9239 1853.739       229.6244 288.7025 12.41251 273.4315 17.65998 15.27109       21.58577 
1 1 1 -16 -16 2  o 209.5996 9.374188 1062.439       93.69839 972.7911       125.2254 1176.472       141.2332 199.4007 13.21030 219.2390 13.54051 -19.83830      18.91712 
1 1 1 -16 -16 3  o 255.4435 12.36142 1590.336       150.5152 1375.639       218.9369 1782.749       207.2637 234.0463 19.75047 268.6682 16.21152 -34.62198      25.55180 
1 1 1 -16 -16 4  o 287.5480 11.79313 2011.906       161.7801 1866.085       210.5504 2222.084       252.7779 274.8324 16.09477 298.9413 17.76676 -24.10889      23.97289 
1 1 1 -16 -16 5  o 219.1697 10.46448 1166.068       109.3327 1041.735       181.7712 1236.548       136.8568 203.6316 18.88639 224.8769 12.78219 -21.24532      22.80526 
1 1 1 -16 -16 6  o 191.1154 11.33679 890.0214       103.1190 1064.338       163.9814 775.9983       132.6237 206.8362 16.72542 176.7866 15.85982 30.04955       23.04937 
1 1 1 -16 -16 7  o 146.6196 13.86919 531.0156       96.06350 407.5249       197.2702 569.4022       109.9852 120.0428 33.23803 151.3100 15.41925 -31.26724      36.64042 
1 1 1 -16 -16 8  o 56.82198 19.26402 76.95592       62.34927 141.7882       131.0313 57.98019       70.88895 76.88826 27.78541 53.92637 20.26804 22.96189       34.39219 
1 1 1 -16 -16 9  o 88.39911 17.47718 201.7601       71.24450 245.5706       140.0375 186.4607       82.75464 94.26183 28.59010 83.94559 20.74177 10.31625       35.32159 
1 1 1 -16 -16 10 o 174.0607 13.79309 752.3237       113.8435 823.2679       243.1404 732.4034       128.8388 170.4153 30.98384 170.6525 15.97736 -0.2372437     34.86078 
1 1 1 -16 -16 11 o 57.80286 19.58571 81.85719       64.44837 -27.02323      128.1972 118.6822       74.55467 53.95700 24.15452 67.41422 20.93824 -13.45722      31.96640 
1 1 1 -16 -16 12 o 87.09751 19.63420 201.7503       79.79676 420.8011       227.9981 171.1728       85.18434 115.6569 36.71445 79.58223 21.76580 36.07463       42.68139 
1 1 1 -16 -16 13 o 109.6579 15.81008 308.2791       80.49483 323.3962       151.4294 302.3252       95.03339 104.9018 29.14990 106.8900 19.30684 -1.988174      34.96385 
1 1 1 -16 -16 14 o 47.38590 20.94877 -8.946906      93.39626 -35.34339      144.8167 9.850772       122.2074 55.36915 25.14591 55.52043 24.27231 -0.1512833     34.94942 
1 1 1 -16 -16 15 o 192.2325 13.63680 931.5765       124.5142 1085.764       204.7765 841.1290       156.8387 199.9831 21.76891 178.7010 18.63100 21.28214       28.65309 
1 1 1 -16 -15 1  o 287.4684 8.564098 1990.730       117.5697 2072.649       168.1028 1912.291       164.4933 292.2335 12.05787 280.5989 12.29161 11.63464       17.21848 
1 1 1 -16 -15 2  o 38.89071 15.52416 19.43983       43.52921 -34.12539      64.11443 65.24353       59.28771 37.01046 16.77788 53.89426 18.76644 -16.88380      25.17293 
1 1 1 -16 -15 3  o 143.2164 11.21576 499.5469       76.18231 563.9601       153.7488 478.5860       87.70612 148.4424 22.35757 139.6356 13.29826 8.806763       26.01355 
1 1 1 -16 -15 4  o 239.6838 10.31374 1391.708       117.9087 1264.316       215.2601 1446.312       140.9308 224.1917 20.30321 243.7350 12.13241 -19.54326      23.65197 
1 1 1 -16 -15 5  f 88.82972 13.87908 197.0032       57.01516 423.0541       106.3328 105.7873       67.54598 129.7271 17.59801 64.84473 19.89339 64.88234       26.56007 
1 1 1 -16 -15 6  o 118.1996 17.82934 353.2064       97.62220 297.0808       180.2242 376.5121       116.1353 104.2720 32.58075 120.9913 20.82841 -16.71930      38.66947 
1 1 1 -16 -15 7  o 191.2792 11.63961 892.2456       105.9385 816.2623       164.6995 945.8682       138.3590 179.7549 19.47550 195.7536 14.89575 -15.99866      24.51894 
1 1 1 -16 -15 8  o 52.22385 22.19881 11.68495       96.78802 61.25193       212.8891 -1.229930      108.6682 77.71436 32.97397 53.37179 23.11503 24.34257       40.26894 
1 1 1 -16 -15 9  o 107.5336 14.85009 289.4158       74.30935 423.7275       142.6583 239.4039       87.05166 126.4242 24.48725 96.08126 19.61523 30.34293       31.37488 
1 1 1 -16 -15 10 o 249.1746 13.43337 1528.241       159.4368 1406.090       254.2638 1607.391       204.6746 232.4968 23.18362 253.4034 16.99263 -20.90662      28.74421 
1 1 1 -16 -15 11 o 171.6664 12.94600 727.9912       105.4671 527.5400       171.3673 850.2094       133.8109 138.7557 26.80294 184.4367 15.31323 -45.68102      30.86896 
1 1 1 -16 -15 12 o 43.98566 18.44239 14.28967       65.33018 198.2554       220.1714 -3.471414      68.41119 89.14730 35.12769 42.06028 18.27737 47.08702       39.59819 
1 1 1 -16 -15 13 o 33.88262 15.77841 -50.73722      62.23079 -110.7295      228.6275 -45.93680      64.67265 64.79611 30.19720 35.26117 16.30416 29.53494       34.31758 
1 1 1 -16 -15 14 f 78.63997 23.75013 169.7535       96.78220 209.3622       151.5020 142.4455       125.7961 86.16628 29.99943 74.52879 27.18238 11.63749       40.48269 
1 1 1 -16 -15 15 o 110.4734 20.58573 329.3945       104.7265 244.7446       165.3297 386.1215       135.3419 90.37074 31.34579 116.8646 24.98107 -26.49387      40.08257 
1 1 1 -16 -15 16 o 90.19562 26.43532 239.4983       121.3281 225.5062       273.5127 242.9260       135.3763 88.97151 37.54472 89.95718 28.25634 -0.9856720     46.98965 
1 1 1 -16 -14 1  o 47.30258 17.21294 45.66992       50.40209 58.94921       60.31851 14.94517       91.75030 52.62551 18.87292 51.92657 21.81907 0.6989365      28.84890 
1 1 1 -16 -14 2  o 237.1642 11.12979 1362.576       125.8437 1279.060       171.2381 1460.651       185.5636 228.2344 15.79052 243.8796 16.00351 -15.64519      22.48228 
1 1 1 -16 -14 3  o 87.43810 18.53526 195.2109       75.07466 128.1153       140.5909 221.9749       88.79444 77.21616 28.63802 92.86893 20.54403 -15.65276      35.24476 
1 1 1 -16 -14 4  o 284.6680 12.41651 1969.666       168.5780 2019.139       244.7531 1925.011       232.5270 285.6526 18.01353 279.1514 17.51131 6.501190       25.12237 
1 1 1 -16 -14 5  o 178.4271 11.10274 773.6005       94.24149 777.6557       147.2113 770.7845       122.6741 176.7410 17.65803 177.0543 14.62259 -0.3132324     22.92654 
1 1 1 -16 -14 6  o 89.63594 16.91513 204.0771       69.83108 345.1233       172.0296 176.2513       76.40942 112.3353 31.01386 82.54543 19.64683 29.78988       36.71318 
1 1 1 -16 -14 7  o 240.1019 12.14051 1404.882       138.9086 1471.634       212.2085 1354.837       183.7444 242.7956 18.41899 233.8773 16.53972 8.918320       24.75524 
1 1 1 -16 -14 8  o 83.03474 23.69541 181.0485       98.68897 437.8452       212.2650 110.2305       111.4694 124.3791 34.49318 70.12453 25.58593 54.25452       42.94670 
1 1 1 -16 -14 9  o 116.1090 17.34736 340.8897       93.34753 300.6923       147.7762 367.5790       120.4130 104.9823 28.64975 118.8379 22.00404 -13.85564      36.12458 
1 1 1 -16 -14 10 o 188.2537 13.00389 869.9206       116.3184 1057.747       223.0405 799.7525       136.3249 202.0305 23.53182 179.2263 16.08055 22.80415       28.50142 
1 1 1 -16 -14 11 f 205.9920 12.47686 1040.880       122.2989 981.7219       193.1219 1080.490       158.0235 195.5682 20.98271 208.2065 15.99776 -12.63838      26.38564 
1 1 1 -16 -14 12 o 135.0116 15.18984 457.3768       96.34744 514.2426       235.6290 445.9604       105.5768 130.3844 36.41061 132.4958 17.06271 -2.111435      40.21031 
1 1 1 -16 -14 13 o 102.7195 16.40598 270.2610       77.85902 371.7936       150.9169 233.4358       90.88834 114.7999 27.79682 93.53690 20.85629 21.26304       34.75124 
1 1 1 -16 -14 14 o 137.0448 16.25545 477.8883       104.4330 488.7756       164.3902 470.5213       135.2259 132.1482 26.93476 132.7511 22.08197 -0.6028595     34.82951 
1 1 1 -16 -14 15 f 84.97256 26.06694 202.8474       115.9763 163.5404       261.2862 212.4917       129.4244 86.69007 36.64472 86.54647 27.68291 0.1436005      45.92580 
1 1 1 -16 -14 16 o 68.09195 25.54969 114.1595       112.5487 28.33987       281.0428 130.5517       122.8281 76.91221 34.96917 71.55386 26.72322 5.358353       44.01106 
1 1 1 -16 -14 17 o 85.12083 19.04277 196.6573       75.55338 125.0942       183.4157 211.2818       82.91471 74.78191 31.09346 87.71581 20.19042 -12.93390      37.07367 
1 1 1 -16 -13 1  o 307.0779 7.816810 2267.949       114.6656 2083.131       155.4107 2488.774       169.8766 293.3768 11.10020 320.7088 11.09606 -27.33203      15.69513 
1 1 1 -16 -13 2  o 135.1635 12.94796 447.1472       82.64809 394.2783       139.0182 476.0485       102.7851 123.2698 24.45247 138.7448 15.77527 -15.47498      29.09953 
1 1 1 -16 -13 3  o 162.8802 10.80978 643.5609       83.70077 638.0799       128.4788 647.6025       110.3257 160.4833 17.00368 162.5021 14.34793 -2.018768      22.24833 
1 1 1 -16 -13 4  o 43.63006 17.77994 19.60704       58.41162 11.59650       87.87443 25.94842       78.18497 50.44300 21.28332 50.18089 20.52445 0.2621040      29.56743 
1 1 1 -16 -13 5  o 50.10758 17.28401 56.59905       50.23823 44.51657       95.03344 61.28516       59.18402 57.04089 22.88076 52.92756 18.72497 4.113327       29.56609 
1 1 1 -16 -13 6  o 236.1239 10.71421 1350.825       120.6355 1230.402       210.5017 1409.717       147.2071 221.6287 20.08432 240.5302 12.84781 -18.90152      23.84211 
1 1 1 -16 -13 7  o 155.8267 12.01097 592.9501       88.79041 693.6768       150.3373 538.9940       110.0310 166.0131 19.30099 147.3579 15.86810 18.65518       24.98649 
1 1 1 -16 -13 8  o 166.6932 13.32426 681.8638       105.3031 739.5685       219.6501 664.6431       119.9913 166.4641 28.63177 163.8172 15.50536 2.646820       32.56063 
1 1 1 -16 -13 9  o 191.3441 11.76031 893.0444       107.0629 765.5903       171.0089 975.2048       137.3007 173.2975 21.07305 198.9590 14.53474 -25.66150      25.59946 
1 1 1 -16 -13 10 o 150.5923 13.74663 559.3827       97.88068 639.3143       151.8748 502.5954       128.0124 158.2324 20.56206 140.4637 19.59509 17.76866       28.40363 
1 1 1 -16 -13 11 o 113.0556 17.89106 325.2223       93.48739 282.6652       140.8909 358.6996       124.9603 101.7583 28.05657 116.6699 23.21980 -14.91158      36.41882 
1 1 1 -16 -13 12 o 157.0716 15.99940 617.3937       118.4706 722.6863       239.2036 583.1718       136.3708 160.1046 32.36464 151.0981 19.31929 9.006546       37.69223 
1 1 1 -16 -13 13 o 241.2826 11.67162 1426.617       134.2380 1255.958       227.7618 1517.451       166.1656 219.6331 21.98601 247.4843 14.10218 -27.85126      26.12003 
1 1 1 -16 -13 14 o 65.09371 25.24491 87.56258       112.2342 -82.77974      253.1407 129.2402       125.2138 70.00878 32.33039 73.07776 27.04064 -3.068977      42.14796 
1 1 1 -16 -13 15 o 205.4265 13.22226 1048.375       129.1689 1203.754       216.8959 962.9837       160.7919 213.8115 21.51036 194.1170 17.51393 19.69453       27.73866 
1 1 1 -16 -13 16 o 152.3998 15.17099 588.4719       109.0702 692.3508       195.5033 541.5293       131.4238 156.6029 27.09258 143.4619 19.67958 13.14099       33.48572 
1 1 1 -16 -13 17 f 107.5032 16.15757 299.8899       80.47710 613.8249       189.8248 231.0999       88.85787 144.5069 28.48924 91.86955 20.72569 52.63737       35.23055 
1 1 1 -16 -13 18 o 130.9780 16.30936 446.4017       99.92146 680.6526       329.5146 422.6803       104.8588 128.3262 44.26540 126.4320 17.84309 1.894173       47.72631 
1 1 1 -16 -12 1  o 395.8408 7.539448 3764.546       142.6818 3844.257       196.4774 3675.605       207.5419 399.0078 10.30829 389.8202 11.14755 9.187622       15.18317 
1 1 1 -16 -12 2  o 299.6039 8.543804 2161.564       122.2541 2254.231       187.7570 2093.359       161.0796 304.5386 12.92511 293.9665 11.48340 10.57208       17.28950 
1 1 1 -16 -12 3  o 151.7073 11.68148 560.1377       84.07323 536.6055       150.1607 570.8828       101.4681 145.1174 22.36073 152.5610 14.07003 -7.443604      26.41908 
1 1 1 -16 -12 4  o 100.1889 12.26164 246.6803       57.50957 255.7747       100.8044 242.2919       70.02319 99.53613 21.78898 98.53244 15.36574 1.003685       26.66206 
1 1 1 -16 -12 5  o 89.08947 17.07401 200.8645       70.07668 124.8650       101.6120 269.7963       96.77187 72.31944 24.59164 102.6382 20.43964 -30.31876      31.97699 
1 1 1 -16 -12 6  f 130.4967 12.25629 416.3289       75.57067 414.4517       131.4882 417.2549       92.34623 127.0390 22.47112 129.8921 15.15500 -2.853058      27.10397 
1 1 1 -16 -12 7  o 252.9576 10.38081 1548.646       125.2747 1822.630       226.3482 1427.660       150.4123 271.4551 17.53478 241.9902 13.04928 29.46486       21.85755 
1 1 1 -16 -12 8  o 65.03727 17.87165 107.9970       57.27556 201.3960       112.5611 75.36542       66.53286 87.57077 25.40474 57.34428 19.88512 30.22649       32.26173 
1 1 1 -16 -12 9  o 255.9364 12.15201 1596.276       148.2676 1774.626       228.5956 1466.762       194.7999 266.9014 18.02030 243.1686 16.86050 23.73276       24.67809 
1 1 1 -16 -12 10 o 86.67711 20.88908 196.2721       85.53819 151.9302       129.5769 230.5196       113.8767 78.92620 27.72515 93.01900 25.05130 -14.09280      37.36646 
1 1 1 -16 -12 11 o 71.25170 22.58249 129.1577       86.28786 208.6364       130.7796 67.88378       114.8293 88.60970 27.76385 63.71461 25.28570 24.89508       37.55260 
1 1 1 -16 -12 12 o 285.2969 10.87068 1979.777       148.0018 1990.338       269.0159 1975.193       177.2350 280.2360 20.21502 283.8689 13.09468 -3.632904      24.08563 
1 1 1 -16 -12 13 o 63.23033 24.59037 76.16597       106.7177 305.9162       241.4799 20.40442       118.9653 104.2359 37.71279 57.75378 24.58240 46.48214       45.01721 
1 1 1 -16 -12 14 o 68.32289 24.20714 113.9487       98.94241 166.8498       161.0733 81.89174       125.3870 81.90974 30.59987 66.38316 26.39734 15.52658       40.41252 
1 1 1 -16 -12 15 o 43.56173 20.11928 -61.46370      98.07151 -31.35575      164.5538 -78.04904      122.1320 60.21379 27.12674 47.99275 22.26554 12.22104       35.09436 
1 1 1 -16 -12 16 o 145.3668 19.69566 553.6475       133.3633 264.3509       306.8032 621.0459       148.0857 97.56975 40.35962 153.3845 20.72374 -55.81474      45.36929 
1 1 1 -16 -12 17 o 35.29024 16.55356 -62.04419      70.57014 -105.9721      183.7551 -54.44434      76.43130 57.20953 26.79558 37.87719 17.58674 19.33235       32.05147 
1 1 1 -16 -12 18 o 30.94931 14.72947 -67.74542      59.77581 -252.7690      186.2930 -46.50945      63.11303 49.32845 24.08219 34.31178 15.94832 15.01666       28.88427 
1 1 1 -16 -11 1  o 115.6392 11.25045 326.1573       61.41363 379.2926       81.89392 257.8752       92.83543 124.1434 14.04448 100.4799 20.02854 23.66351       24.46201 
1 1 1 -16 -11 2  o 116.5319 13.68945 334.3187       74.81469 237.1301       131.3423 380.9986       91.02531 95.14973 27.39415 123.9690 15.71051 -28.81925      31.57942 
1 1 1 -16 -11 3  o 117.2661 13.48714 338.3057       74.23850 328.3094       142.8323 342.0058       86.89855 111.4589 27.07582 117.2801 15.90789 -5.821243      31.40320 
1 1 1 -16 -11 4  o 111.0392 12.64188 302.7321       65.91766 404.0609       147.3333 277.3728       73.70607 124.3242 25.63955 105.6444 15.01550 18.67974       29.71282 
1 1 1 -16 -11 5  o 422.9702 11.32783 4330.161       228.8621 4429.589       269.8922 4075.672       431.7871 426.8382 13.24172 403.0792 22.49558 23.75897       26.10353 
1 1 1 -16 -11 6  o 160.2265 12.88809 627.0097       97.89374 757.5357       192.5027 581.4812       113.6920 172.0504 24.06002 153.4618 15.71789 18.58859       28.73911 
1 1 1 -16 -11 7  o 203.7929 11.57516 1008.704       112.3143 983.2963       171.9871 1027.597       148.3041 198.8786 18.29317 204.5164 15.27799 -5.637863      23.83395 
1 1 1 -16 -11 8  o 172.2388 11.73002 722.3433       96.01492 646.1777       153.0412 771.7817       123.2994 159.8755 20.49314 177.1648 14.68904 -17.28932      25.21382 
1 1 1 -16 -11 9  o 209.4848 12.65810 1071.703       126.1823 1081.787       216.5532 1066.519       155.2634 205.9913 22.34666 207.7833 15.74692 -1.792007      27.33750 
1 1 1 -16 -11 10 o 270.1932 12.62167 1782.192       162.5914 1849.416       243.9129 1728.433       218.1208 271.8078 18.88750 263.6273 17.40343 8.180511       25.68301 
1 1 1 -16 -11 11 o 117.4947 19.46328 353.6460       105.5065 212.8555       220.9699 395.2214       120.0783 94.07436 35.68880 123.6976 21.05842 -29.62325      41.43847 
1 1 1 -16 -11 12 o 207.1974 12.02271 1049.409       118.5839 1285.290       200.6452 922.7889       147.0056 225.9534 18.74231 192.5508 16.11682 33.40266       24.71894 
1 1 1 -16 -11 13 o 152.3444 14.99331 577.4750       107.7889 775.7965       176.4792 459.4716       136.1306 173.3191 21.77758 132.6111 22.25970 40.70808       31.14093 
1 1 1 -16 -11 14 o 214.5806 13.66384 1137.998       139.4471 1004.997       290.5208 1177.814       158.9551 187.0768 33.72277 217.3674 15.39540 -30.29060      37.07079 
1 1 1 -16 -11 15 o 63.86937 24.27527 87.88676       102.3508 215.8188       171.9050 17.63090       127.3914 88.85452 31.86147 58.43131 25.16533 30.42320       40.60108 
1 1 1 -16 -11 16 o 168.0758 15.41065 713.3446       122.4555 864.3430       207.6592 632.8428       151.6240 177.8636 25.11898 154.7781 21.03420 23.08554       32.76280 
1 1 1 -16 -11 17 o 96.21478 27.26580 266.8493       131.1252 417.9389       319.3186 236.2042       143.8096 109.9999 42.60335 90.23690 29.21052 19.76299       51.65559 
1 1 1 -16 -11 18 o 75.38943 22.65412 157.7750       88.21655 70.45269       363.3101 163.2459       90.93805 84.67886 38.97053 76.53022 23.00181 8.148643       45.25246 
1 1 1 -16 -11 19 o 99.93729 25.27517 292.7806       120.8222 269.4410       209.3993 304.4289       147.9307 90.98973 34.68895 98.96947 29.23894 -7.979736      45.36781 
1 1 1 -16 -10 1  o 106.2203 9.919787 274.3107       49.79279 267.6466       67.56953 282.2301       73.65918 104.0655 13.93073 106.6829 14.84334 -2.617424      20.35657 
1 1 1 -16 -10 2  o 256.4386 8.911561 1584.940       109.0900 1474.297       173.7757 1656.902       140.1457 245.5169 14.87447 261.5784 11.23267 -16.06154      18.63928 
1 1 1 -16 -10 3  o 364.6818 8.205864 3198.489       143.0694 3207.020       222.2786 3192.455       186.9404 363.3727 12.81497 363.3884 10.77217 -0.1574707E-01 16.74106 
1 1 1 -16 -10 4  o 173.9436 11.21585 734.5874       92.77435 617.3641       178.1181 778.2290       108.6805 154.7103 24.92829 178.6454 12.80984 -23.93515      28.02698 
1 1 1 -16 -10 5  o 222.5815 11.68789 1202.585       123.9392 1301.635       197.0379 1137.739       159.4288 229.2015 18.12896 215.2004 15.60180 14.00116       23.91810 
1 1 1 -16 -10 6  o 60.47425 16.83109 92.42510       50.44121 -6.278623      97.45410 128.5439       58.95219 50.47947 21.87605 70.95005 17.49217 -20.47058      28.00960 
1 1 1 -16 -10 7  o 58.73612 20.04599 80.01665       67.52831 95.20565       103.5405 68.77367       89.08119 67.00772 24.62512 59.95609 22.67944 7.051632       33.47765 
1 1 1 -16 -10 8  o 150.7109 13.24964 556.4658       94.49701 404.4011       195.7980 602.6412       107.8946 121.4885 32.90460 156.4924 14.58917 -35.00390      35.99384 
1 1 1 -16 -10 9  f 134.8074 15.66176 451.3063       99.06301 232.0588       197.2491 525.2596       114.5584 96.04770 34.16412 145.1675 16.81700 -49.11980      38.07884 
1 1 1 -16 -10 10 o 114.3366 13.73876 323.7283       73.59751 349.9818       137.4484 313.1755       87.14268 114.6153 25.71734 111.4696 16.87951 3.145752       30.76198 
1 1 1 -16 -10 11 o 274.5009 10.85750 1830.512       142.2082 1659.032       264.8451 1899.980       168.5700 255.1082 21.92750 278.8643 12.67699 -23.75620      25.32827 
1 1 1 -16 -10 12 o 60.59611 22.71850 75.54064       88.94899 -40.13564      146.9254 142.4666       111.7563 57.53448 25.79955 75.58646 25.78836 -18.05198      36.47816 
1 1 1 -16 -10 13 o 62.13682 23.25233 80.95049       93.08723 229.0541       155.7640 -1.330554      116.1005 92.29143 30.43379 54.82042 23.81648 37.47100       38.64505 
1 1 1 -16 -10 14 o 136.5767 19.22975 478.5007       122.0903 476.2326       280.4081 479.0312       135.6203 124.0747 40.82980 135.4614 21.67132 -11.38669      46.22466 
1 1 1 -16 -10 15 o 76.12522 24.81176 153.0446       103.6601 295.1121       175.9513 77.52180       128.2874 100.9662 32.27563 66.13546 26.56513 34.83072       41.80218 
1 1 1 -16 -10 16 o 143.0789 17.57854 525.9750       117.7208 531.5352       199.0565 522.9844       145.9862 134.2037 31.55812 139.6285 22.64399 -5.424835      38.84154 
1 1 1 -16 -10 17 o 155.6058 17.82792 625.2895       130.2360 689.6089       250.1578 601.3744       152.5384 148.1899 35.72873 149.8263 21.94580 -1.636398      41.93042 
1 1 1 -16 -10 18 o 83.18124 22.62218 192.4645       92.32227 327.9443       389.4035 184.3956       95.03177 101.1544 43.78306 81.25459 23.27312 19.89983       49.58421 
1 1 1 -16 -10 19 o 84.61842 22.83153 203.3375       94.48311 216.2228       411.3358 202.6198       97.07881 91.80439 41.95710 84.24554 23.31300 7.558853       47.99889 
1 1 1 -16 -10 20 o 53.68561 24.25902 -16.33263      132.7587 -122.4340      372.4184 -0.8868914     142.0937 73.74396 35.53479 56.62247 25.38264 17.12149       43.66920 
1 1 1 -16 -9  1  o 224.4139 8.261497 1212.586       88.48608 1191.771       124.1913 1234.048       126.1071 221.6599 11.76123 225.5753 11.73371 -3.915344      16.61344 
1 1 1 -16 -9  2  o 86.15389 17.28411 188.1779       68.71342 113.0276       128.5156 218.2613       81.31180 73.54025 27.36045 92.50866 19.02068 -18.96841      33.32238 
1 1 1 -16 -9  3  o 57.81065 15.83529 84.32341       45.04874 162.4056       151.0157 76.69651       47.19762 83.51476 29.87277 55.55069 16.54176 27.96408       34.14692 
1 1 1 -16 -9  4  o 116.2994 14.08116 333.7659       76.70067 428.3199       164.3392 307.4332       86.72579 127.2298 27.79659 110.7850 16.90907 16.44482       32.53563 
1 1 1 -16 -9  5  o 124.2931 13.98785 380.5779       81.67873 401.0679       157.2594 373.0085       95.58231 123.0922 27.42487 122.2481 16.79778 0.8441238      32.16036 
1 1 1 -16 -9  6  o 327.9326 11.49660 2606.232       179.9658 2590.423       227.5367 2632.645       294.1070 325.5529 14.65672 325.8115 18.96321 -0.2586060     23.96712 
1 1 1 -16 -9  7  f 135.5372 12.72818 449.6799       81.51188 596.1541       180.2344 412.0177       91.39243 151.4258 25.82140 129.0627 15.09645 22.36305       29.91066 
1 1 1 -16 -9  8  o 150.2154 12.17756 550.7542       86.70541 503.6426       139.1911 580.6266       110.8364 140.6245 21.37552 153.3643 15.32130 -12.73978      26.29934 
1 1 1 -16 -9  9  o 115.8593 14.43576 332.6033       78.23141 340.6022       204.8578 331.2377       84.64668 111.4640 34.72202 115.2310 15.77898 -3.767075      38.13915 
1 1 1 -16 -9  10 o 315.7558 10.24178 2414.752       154.4046 2054.825       301.8719 2542.281       179.6887 284.3109 22.38912 323.3841 11.64134 -39.07315      25.23477 
1 1 1 -16 -9  11 o 95.21825 17.19960 230.8740       75.41650 213.8624       238.4965 232.7641       79.49564 95.54324 36.86880 95.33128 18.10399 0.2119522      41.07387 
1 1 1 -16 -9  12 o 288.0494 10.80636 2016.861       148.5539 2186.924       280.7396 1950.725       175.0727 294.1122 20.08615 282.2313 13.00992 11.88092       23.93139 
1 1 1 -16 -9  13 o 277.0764 11.34059 1871.292       149.9080 2066.780       299.1792 1805.758       173.2219 283.6546 22.23909 271.1372 13.40460 12.51740       25.96653 
1 1 1 -16 -9  14 o 260.4311 11.51716 1656.510       143.0445 1694.016       260.6099 1640.337       171.1266 256.8249 21.41974 257.8925 13.93111 -1.067596      25.55154 
1 1 1 -16 -9  15 f 131.5723 19.49227 448.0734       118.9091 -26.76232      227.9625 625.5601       139.3717 70.92656 31.94275 156.0573 19.07634 -85.13075      37.20546 
1 1 1 -16 -9  16 o 60.95226 24.65866 61.69473       111.4013 -112.9673      217.4271 123.8672       129.7220 63.01253 29.39335 72.43685 27.37544 -9.424324      40.16695 
1 1 1 -16 -9  17 f 202.6677 15.94543 1041.776       153.2567 795.5640       395.8616 1085.185       166.2188 141.6311 48.52991 206.0520 17.02489 -64.42094      51.42955 
1 1 1 -16 -9  18 o 45.68195 20.56892 -27.15453      94.46410 74.17510       368.1823 -34.29485      97.73570 86.47533 39.58706 45.73250 20.72514 40.74284       44.68407 
1 1 1 -16 -9  19 o 52.82430 21.38953 47.12377       83.90601 701.0988       351.7001 7.655100       86.40087 128.9460 45.64371 47.51229 20.59412 81.43370       50.07460 
1 1 1 -16 -9  20 o 58.14716 25.18927 34.81213       129.1089 -2.714326      372.7639 39.92755       137.6275 78.23280 37.10276 59.92399 25.98281 18.30881       45.29593 
1 1 1 -16 -8  1  o 46.64048 21.58510 -85.49557      113.7281 -85.49557      113.7281 0.000000       0.000000 46.64048 21.58510 ?        ?        0.000000       21.58510 
1 1 1 -16 -8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -8  3  o 529.0997 8.134810 6732.664       205.7753 6500.406       309.2222 6917.265       275.6784 517.7723 12.49176 535.0847 10.77635 -17.31244      16.49769 
1 1 1 -16 -8  4  o 266.8364 11.27056 1725.273       143.4563 1655.953       192.3034 1812.255       215.4136 259.8335 15.55161 271.3459 16.68579 -11.51236      22.80939 
1 1 1 -16 -8  5  o 372.6133 8.557391 3342.263       152.4432 2918.424       240.6539 3626.314       197.0110 345.5995 14.59791 387.2404 10.65158 -41.64096      18.07084 
1 1 1 -16 -8  6  o 139.7771 12.91791 478.4525       85.34874 463.1609       169.9001 483.6139       98.70713 132.2236 27.76219 139.9680 14.98352 -7.744415      31.54750 
1 1 1 -16 -8  7  o 104.7232 14.98932 272.9379       72.90927 213.8498       118.1957 309.2311       92.63270 90.38764 25.97582 110.6694 18.13525 -20.28175      31.68013 
1 1 1 -16 -8  8  o 297.5191 12.75957 2154.353       181.0709 1966.983       246.0216 2375.810       267.4662 281.5731 18.37609 309.6930 18.14411 -28.11993      25.82420 
1 1 1 -16 -8  9  o 40.11620 17.21937 -1.000877      59.26530 -202.6613      209.4402 16.55197       61.79076 59.09067 27.96143 43.96041 18.14141 15.13026       33.33096 
1 1 1 -16 -8  10 o 392.2319 10.06723 3722.816       188.6263 2993.419       412.3492 3915.836       212.1210 340.6146 25.50698 401.7785 11.05354 -61.16388      27.79905 
1 1 1 -16 -8  11 o 264.7391 13.59555 1718.662       171.5008 1590.954       274.0734 1800.849       219.8656 248.7153 23.32124 269.0135 17.18509 -20.29820      28.96908 
1 1 1 -16 -8  12 o 95.11976 23.18456 240.2534       104.4592 -31.35509      255.6755 294.6752       114.4468 75.85887 34.02376 105.4520 23.32043 -29.59314      41.24874 
1 1 1 -16 -8  13 o 122.6021 18.90178 384.8568       107.2359 253.0140       206.6889 433.4185       125.4399 97.29707 34.93078 129.3048 21.01213 -32.00776      40.76358 
1 1 1 -16 -8  14 o 43.54487 20.07897 -63.49147      97.11138 -244.5831      194.4993 -3.356122      112.0815 53.24823 25.66399 53.54235 23.32916 -0.2941208     34.68270 
1 1 1 -16 -8  15 o 55.95019 23.96384 15.57730       114.3228 -43.63340      350.7290 22.61622       120.9273 83.87962 38.48761 58.10064 24.75895 25.77898       45.76354 
1 1 1 -16 -8  16 o 200.0656 15.38951 1006.208       146.0689 1006.288       359.5441 1006.192       159.8553 172.7531 43.55147 199.0303 16.96107 -26.27715      46.73766 
1 1 1 -16 -8  17 o 154.4806 17.02438 612.7787       123.6518 555.8303       216.3925 640.3894       150.6746 134.2112 33.76011 155.4350 20.79745 -21.22372      39.65198 
1 1 1 -16 -8  18 o 54.85080 23.28059 28.60770       106.1790 -26.70781      200.0784 50.29348       125.2749 64.86437 29.49685 60.84890 25.52725 4.015469       39.00903 
1 1 1 -16 -8  19 o 39.27391 17.51707 -15.51307      66.76997 -249.1974      215.3202 9.348616       70.23204 54.02444 26.26608 43.82272 18.77640 10.20171       32.28715 
1 1 1 -16 -8  20 o 69.90694 24.86472 135.8183       104.4809 57.51241       177.0910 177.6285       129.4018 66.44436 29.12891 77.59737 27.66406 -11.15301      40.17205 
1 1 1 -16 -7  1  o 157.5091 11.45596 603.0143       85.67741 603.0143       85.67741 0.000000       0.000000 157.5091 11.45596 ?        ?        0.000000       11.45596 
1 1 1 -16 -7  2  o 86.72944 12.47967 185.9124       50.25836 207.4612       80.28895 172.0287       64.44633 90.05633 19.23279 82.34203 16.93640 7.714302       25.62698 
1 1 1 -16 -7  3  o 97.47030 10.97189 232.4543       50.24128 258.2252       136.1056 228.3888       54.05915 98.86649 27.69588 96.38890 11.98938 2.477592       30.17958 
1 1 1 -16 -7  4  o 184.5768 9.930767 824.3806       87.31046 817.3500       169.1429 826.9344       101.9420 180.5466 19.92659 184.4535 11.61904 -3.906845      23.06667 
1 1 1 -16 -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -7  6  o 238.8779 9.839524 1379.462       112.1316 1352.949       209.8325 1390.060       132.6623 233.0639 18.99631 239.2666 11.63216 -6.202759      22.27480 
1 1 1 -16 -7  7  o 305.0357 9.217732 2245.137       134.2717 2345.225       240.2785 2199.689       161.9115 308.7280 16.33727 301.2394 11.26219 7.488556       19.84296 
1 1 1 -16 -7  8  o 142.1284 12.51768 494.2329       84.18935 504.1196       146.4577 489.3537       102.8873 140.0877 22.63955 140.5473 15.57296 -0.4596405     27.47847 
1 1 1 -16 -7  9  o 122.4842 16.15647 374.4213       92.30467 262.2332       221.2166 398.0714       101.5690 101.2207 36.16116 125.9717 17.32298 -24.75100      40.09632 
1 1 1 -16 -7  10 o 227.8255 12.49871 1266.911       135.6153 1173.395       214.9962 1328.707       174.7707 215.1281 21.17809 231.8927 15.85972 -16.76457      26.45831 
1 1 1 -16 -7  11 o 110.5651 20.02580 315.2928       101.9598 70.16586       294.7377 348.6150       108.6692 87.81301 38.04960 116.2915 20.28283 -28.47849      43.11804 
1 1 1 -16 -7  12 o 286.2920 14.20256 2017.695       193.7877 2164.991       337.1295 1945.010       236.8226 288.3989 24.68814 278.7448 17.86488 9.654053       30.47390 
1 1 1 -16 -7  13 o 146.0847 15.72513 533.8295       108.0989 713.7438       211.5053 470.2160       125.7659 161.9904 28.34183 135.1472 20.07353 26.84315       34.73048 
1 1 1 -16 -7  14 o 315.1248 10.94982 2420.050       164.7166 2618.408       324.8592 2351.406       191.1038 319.4038 21.39731 309.4450 12.94607 9.958740       25.00891 
1 1 1 -16 -7  15 o 52.11375 22.35358 10.03621       99.74617 63.09572       180.7513 -13.19729      119.6071 71.98557 30.45613 53.80067 23.74917 18.18490       38.62122 
1 1 1 -16 -7  16 o 140.3808 20.01174 515.9360       130.5096 347.7207       323.4312 548.6528       142.6377 106.0564 42.32258 143.9918 21.36702 -37.93546      47.41044 
1 1 1 -16 -7  17 o 197.0996 14.83995 979.2289       138.8113 758.2086       319.8444 1030.519       154.0782 146.0455 42.95310 201.2795 16.14689 -55.23401      45.88781 
1 1 1 -16 -7  18 o 64.21274 24.84818 91.92484       108.5535 -10.20794      274.6573 110.8324       118.1752 74.31425 34.08387 68.20411 26.04558 6.110146       42.89619 
1 1 1 -16 -7  19 f 55.63841 20.74371 71.32018       73.94758 787.7469       293.9962 22.93422       76.40391 147.7146 40.45022 47.41269 19.91591 100.3019       45.08729 
1 1 1 -16 -7  20 o 46.63943 19.34587 28.47452       70.76322 -71.92655      181.9786 46.36046       76.80809 57.23799 26.76241 50.91505 20.51892 6.322933       33.72318 
1 1 1 -16 -6  1  o 175.8807 10.37943 749.2861       86.88905 749.2861       86.88905 0.000000       0.000000 175.8807 10.37943 ?        ?        0.000000       10.37943 
1 1 1 -16 -6  2  o 85.23650 18.81801 186.0000       74.63067 186.0000       74.63067 0.000000       0.000000 85.23650 18.81801 ?        ?        0.000000       18.81801 
1 1 1 -16 -6  3  o 341.5014 7.884045 2804.527       128.7212 2997.723       200.6450 2669.399       167.8040 351.5146 11.95664 332.2188 10.57849 19.29575       15.96452 
1 1 1 -16 -6  4  o 324.6968 10.28954 2548.948       159.5268 2741.333       202.7955 2236.650       258.3792 335.7769 12.65544 300.6039 18.06186 35.17303       22.05427 
1 1 1 -16 -6  5  o 180.3072 9.378919 786.0885       80.57097 978.6848       171.6945 731.6988       91.24115 198.2602 18.32107 173.5522 11.05389 24.70802       21.39743 
1 1 1 -16 -6  6  o 256.2590 9.565256 1586.560       116.9826 1482.348       221.6312 1626.807       137.7315 243.8273 19.16652 259.0051 11.14897 -15.17781      22.17330 
1 1 1 -16 -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -6  8  o 67.31834 21.56718 112.2997       78.53242 -75.66903      231.2056 136.8143       83.49657 70.51216 31.92348 73.24001 22.04682 -2.727852      38.79653 
1 1 1 -16 -6  9  o 165.4065 13.05402 670.2519       102.3936 364.0193       189.6466 796.2530       121.6484 114.8168 32.87415 179.9669 14.25492 -65.15012      35.83173 
1 1 1 -16 -6  10 o 111.7052 18.44823 317.6340       95.08655 352.0381       277.3601 313.0520       101.2207 112.7782 40.46724 110.3552 19.91802 2.422935       45.10349 
1 1 1 -16 -6  11 o 132.2855 14.79129 435.2778       91.94689 481.6619       165.2959 414.4949       110.6446 133.8737 26.76226 127.6024 18.69098 6.271278       32.64309 
1 1 1 -16 -6  12 o 300.5773 13.12598 2215.907       188.1690 2488.538       290.1060 2017.909       247.2293 313.9196 19.42507 283.4019 18.34546 30.51776       26.71871 
1 1 1 -16 -6  13 o 63.91918 23.06495 93.52258       90.25067 122.1913       165.0692 81.29852       107.7878 77.33968 30.43405 64.24813 24.78756 13.09155       39.25117 
1 1 1 -16 -6  14 o 47.67786 21.06230 -16.47599      94.24423 -143.3044      175.6560 34.79077       111.6793 55.10691 25.93279 58.02187 24.20461 -2.914959      35.47355 
1 1 1 -16 -6  15 o 139.7925 18.18836 500.9172       118.6791 513.8842       248.8130 497.0983       135.0293 128.4723 37.91096 137.6603 21.19597 -9.188049      43.43397 
1 1 1 -16 -6  16 f 52.40910 22.69262 7.456259       104.6819 -132.1521      253.5798 36.13539       114.9323 66.75466 31.33364 57.99067 24.39699 8.763996       39.71158 
1 1 1 -16 -6  17 o 178.6199 13.52072 798.8861       114.6042 882.6793       201.3994 758.7604       139.3685 179.5375 24.06942 171.6832 17.21151 7.854248       29.59008 
1 1 1 -16 -6  18 o 109.9924 20.76397 327.8192       105.1880 148.9751       185.6505 412.3784       127.6555 78.50133 31.80566 122.3940 22.64979 -43.89272      39.04630 
1 1 1 -16 -6  19 o 56.27950 23.97461 35.57113       113.3182 151.5551       284.1525 13.63717       123.5694 83.12690 36.65375 55.53375 24.33936 27.59315       43.99888 
1 1 1 -16 -6  20 o 56.02374 21.22415 73.73769       78.08534 18.56666       302.9387 77.66412       80.81620 74.17835 34.63271 57.10687 21.60171 17.07148       40.81738 
1 1 1 -16 -5  1  f 240.7797 8.614094 1397.441       99.00053 1397.441       99.00053 0.000000       0.000000 240.7797 8.614094 ?        ?        0.000000       8.614094 
1 1 1 -16 -5  2  o 94.19385 16.25697 223.2786       70.56505 223.2786       70.56505 0.000000       0.000000 94.19385 16.25697 ?        ?        0.000000       16.25697 
1 1 1 -16 -5  3  o 118.4540 8.079765 339.1320       45.48298 322.8174       62.02229 358.1134       66.89954 114.9155 11.44098 121.0309 11.70763 -6.115410      16.36962 
1 1 1 -16 -5  4  o 124.3186 9.239399 374.6615       54.52207 464.2141       100.4999 337.3123       64.90336 136.8344 15.64328 117.4109 11.71883 19.42348       19.54593 
1 1 1 -16 -5  5  o 108.8107 11.32138 289.7435       58.03497 64.28343       143.7471 333.6495       63.43463 68.65003 27.92336 116.8008 11.50921 -48.15074      30.20226 
1 1 1 -16 -5  6  o 397.8433 8.177123 3810.051       155.5324 3619.356       251.0686 3928.804       198.1277 385.1454 13.65674 403.0528 10.29035 -17.90744      17.09965 
1 1 1 -16 -5  7  o 161.2253 9.730459 629.7934       74.65324 494.5025       140.8781 682.6178       88.02912 138.9059 21.94134 167.5566 11.05065 -28.65079      24.56703 
1 1 1 -16 -5  8  o 226.8776 9.660386 1245.200       104.5441 1355.370       239.9712 1219.392       116.1452 231.2054 21.97348 224.1568 10.87021 7.048584       24.51520 
1 1 1 -16 -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -5  10 o 255.0711 10.62543 1580.364       129.2898 1355.439       271.7656 1646.163       146.9894 227.8507 25.37822 259.8302 11.86412 -31.97951      28.01448 
1 1 1 -16 -5  11 o 228.3459 12.33615 1276.079       134.1732 1162.050       206.5585 1359.310       176.4726 213.5721 20.48041 233.9432 15.87222 -20.37102      25.91090 
1 1 1 -16 -5  12 o 155.7348 12.99544 597.8864       95.87647 701.6080       158.6145 538.1705       120.3520 165.2794 20.51323 145.8586 17.61523 19.42081       27.03866 
1 1 1 -16 -5  13 o 182.9564 12.42799 822.8195       108.0616 800.7452       181.2998 834.9828       134.5797 175.4296 22.10635 182.9142 15.53633 -7.484650      27.01978 
1 1 1 -16 -5  14 o 190.1847 12.72757 891.3102       115.0595 743.2925       194.8584 970.5448       142.5672 166.5135 25.26979 197.2408 15.23675 -30.72726      29.50798 
1 1 1 -16 -5  15 o 205.3700 13.18275 1044.581       128.7514 1137.871       278.1900 1019.152       145.2433 201.0653 29.84403 201.7158 15.17198 -0.6505127     33.47918 
1 1 1 -16 -5  16 o 56.37119 23.29059 43.00765       102.0081 -341.4118      431.4188 65.77235       104.9850 76.61829 37.23455 60.20423 24.08319 16.41405       44.34425 
1 1 1 -16 -5  17 o 98.09592 24.66084 272.8362       115.5141 512.5468       453.6992 256.2201       119.4506 112.7289 47.99501 94.45248 25.75059 18.27645       54.46664 
1 1 1 -16 -5  18 o 101.6500 23.98454 292.9424       114.6648 732.6957       284.2294 207.4600       125.3149 144.1929 39.88618 84.34905 27.26453 59.84389       48.31420 
1 1 1 -16 -5  19 o 72.25098 27.09150 141.7320       126.4958 -342.8123      299.0822 247.2921       139.5963 60.56249 29.76151 89.53878 28.76128 -28.97629      41.38791 
1 1 1 -16 -5  20 o 84.22539 22.19899 205.3040       90.63463 -52.58064      178.4269 294.9862       105.2205 57.43319 26.73591 101.3183 22.32545 -43.88511      34.83152 
1 1 1 -16 -4  1  o 95.16316 15.42481 226.8850       67.77704 226.8850       67.77704 0.000000       0.000000 95.16316 15.42481 ?        ?        0.000000       15.42481 
1 1 1 -16 -4  2  o 308.8431 7.806748 2295.759       115.1776 2295.759       115.1776 0.000000       0.000000 308.8431 7.806748 ?        ?        0.000000       7.806748 
1 1 1 -16 -4  3  o 339.0678 8.361243 2768.279       135.5394 2768.279       135.5394 0.000000       0.000000 339.0678 8.361243 ?        ?        0.000000       8.361243 
1 1 1 -16 -4  4  o 140.9586 10.08389 482.4469       67.50714 296.9953       136.0589 543.0096       77.75255 105.5317 26.89316 149.3832 10.96326 -43.85152      29.04196 
1 1 1 -16 -4  5  o 147.5470 9.283734 527.2108       65.15601 465.8875       118.4111 553.8413       78.03130 135.9590 18.71280 150.8824 10.89066 -14.92343      21.65122 
1 1 1 -16 -4  6  o 71.13798 13.96534 127.5544       45.80021 23.58457       149.3205 138.3516       48.11965 64.82127 27.56383 74.12997 14.09247 -9.308701      30.95743 
1 1 1 -16 -4  7  o 52.65467 15.97505 68.73640       43.71742 395.0970       164.2736 43.86086       45.35292 120.9456 28.82090 45.55363 16.36158 75.39198       33.14130 
1 1 1 -16 -4  8  o 188.4086 9.766877 860.1576       87.67582 853.3416       200.3769 861.7715       97.50513 181.9497 23.58972 188.2818 10.87837 -6.332123      25.97718 
1 1 1 -16 -4  9  o 146.5869 11.26478 524.7155       78.34027 480.9604       210.6321 531.7399       84.39465 130.5534 33.56261 147.3378 12.08715 -16.78439      35.67279 
1 1 1 -16 -4  10 o 246.3643 11.98493 1482.837       140.7397 0.000000       0.000000 1482.837       140.7397 ?        ?        246.3643 11.98493 0.000000       11.98493 
1 1 1 -16 -4  11 o 72.67719 22.78481 136.4486       88.06606 289.0086       331.8271 124.8887       91.34166 106.3962 42.72874 70.40117 23.30914 35.99507       48.67301 
1 1 1 -16 -4  12 o 71.23797 23.61009 129.0313       93.70901 -242.4935      352.5435 157.2767       97.20590 75.78347 35.98211 77.26278 23.89359 -1.479309      43.19278 
1 1 1 -16 -4  13 o 215.4754 13.42004 1146.312       137.5621 1230.442       267.4641 1116.053       160.4038 213.7204 26.76152 211.1973 16.00528 2.523132       31.18250 
1 1 1 -16 -4  14 o 156.0502 14.85813 609.3735       109.5140 831.4539       250.6647 556.9835       121.7482 170.3347 31.95439 147.8354 17.56886 22.49936       36.46571 
1 1 1 -16 -4  15 o 75.77614 23.98171 154.7278       97.34310 129.0383       334.2957 157.1078       101.7525 90.04420 39.72798 76.34897 24.55814 13.69524       46.70562 
1 1 1 -16 -4  16 o 68.72142 19.86709 126.6379       68.94788 35.58705       244.4083 134.5103       71.86677 74.79279 33.42612 70.66184 20.23866 4.130951       39.07568 
1 1 1 -16 -4  17 o 119.4901 15.05396 365.5370       84.09396 167.3466       165.8395 434.1368       97.56825 79.31537 30.70712 129.7826 16.06761 -50.46727      34.65683 
1 1 1 -16 -4  18 o 97.43809 25.90095 278.4594       122.7177 599.4152       272.9549 197.1489       137.3857 127.6565 40.12613 81.99140 28.56630 45.66505       49.25586 
1 1 1 -16 -4  19 o 78.26166 28.11982 182.6543       133.9754 98.77618       279.4891 207.6782       152.6577 77.46719 35.08294 82.06085 29.94197 -4.593658      46.12304 
1 1 1 -16 -4  20 o 77.41722 26.53601 184.0361       118.3600 315.6508       176.1777 75.76497       159.7921 94.83794 32.37848 64.97372 28.08476 29.86423       42.86163 
1 1 1 -16 -3  1  o 312.7673 8.048124 2356.000       120.2440 2356.000       120.2440 0.000000       0.000000 312.7673 8.048124 ?        ?        0.000000       8.048124 
1 1 1 -16 -3  2  o 103.5759 13.50417 265.5901       65.27972 265.5901       65.27972 0.000000       0.000000 103.5759 13.50417 ?        ?        0.000000       13.50417 
1 1 1 -16 -3  3  o 286.9326 8.171056 1983.918       111.9757 1983.918       111.9757 0.000000       0.000000 286.9326 8.171056 ?        ?        0.000000       8.171056 
1 1 1 -16 -3  4  o 107.4681 8.267559 279.7481       42.15183 235.2887       61.79557 318.4346       57.64410 97.33782 13.65401 114.2282 10.67915 -16.89035      17.33425 
1 1 1 -16 -3  5  o 96.18999 11.36866 227.2911       51.27227 133.1409       134.9430 243.1765       55.42919 76.81911 28.13191 99.41524 11.89813 -22.59613      30.54455 
1 1 1 -16 -3  6  o 39.13520 13.97857 32.28818       33.05512 -6.299505      141.0781 34.52962       34.00161 59.98499 26.15431 40.09974 14.19224 19.88525       29.75681 
1 1 1 -16 -3  7  o 55.52992 15.08779 78.18945       41.08945 34.35791       161.9146 81.20652       42.48008 67.87478 28.77604 56.55940 15.32985 11.31538       32.60467 
1 1 1 -16 -3  8  o 211.1717 9.367784 1079.821       94.34061 935.4012       202.9671 1119.620       106.5500 190.6350 22.71607 214.7148 10.41068 -24.07985      24.98804 
1 1 1 -16 -3  9  o 120.7963 11.90347 358.8746       67.85187 326.0839       206.7263 362.8336       71.83125 107.3115 35.04297 121.2736 12.57119 -13.96210      37.22962 
1 1 1 -16 -3  10 o 165.7285 10.14558 668.8315       80.00113 758.9887       164.4786 640.8926       91.56165 172.0467 20.39264 161.6494 11.93172 10.39731       23.62680 
1 1 1 -16 -3  11 o 192.7977 11.47244 909.6745       105.2683 770.7991       211.0417 955.6718       121.4567 168.8339 27.05936 197.0014 12.96778 -28.16753      30.00621 
1 1 1 -16 -3  12 o 151.1548 21.97920 598.3196       154.1831 598.3196       154.1831 0.000000       0.000000 151.1548 21.97920 ?        ?        0.000000       21.97920 
1 1 1 -16 -3  13 o 59.39379 22.61305 72.20182       88.90872 233.2878       206.8752 35.70851       98.46598 93.13892 34.70164 55.28183 22.86558 37.85709       41.55765 
1 1 1 -16 -3  14 o 139.6531 15.91576 494.1969       104.3697 450.7287       336.7089 498.8174       109.7766 115.8693 44.03196 139.8991 16.74519 -24.02979      47.10854 
1 1 1 -16 -3  15 o 184.7771 13.44576 852.8047       117.9668 929.2189       286.5341 837.2092       129.4463 172.5662 35.90116 182.1264 14.99932 -9.560135      38.90852 
1 1 1 -16 -3  16 o 50.82688 19.20658 54.57732       63.85068 -4.960932      453.2197 55.78295       64.49392 86.95625 41.14286 51.19934 19.31289 35.75691       45.45022 
1 1 1 -16 -3  17 o 197.6524 14.34317 990.0488       134.6140 1703.945       312.3544 827.2119       149.1786 242.8671 27.37764 177.9185 17.77557 64.94861       32.64209 
1 1 1 -16 -3  18 o 144.6994 17.36011 551.3301       117.7008 569.8646       506.8641 550.2737       121.0086 107.0297 47.96242 144.1145 17.95114 -37.08485      51.21169 
1 1 1 -16 -3  19 o 151.1853 19.36098 623.5995       136.7334 662.6322       254.4129 607.7455       162.1414 132.1813 38.14798 144.3365 24.36321 -12.15524      45.26405 
1 1 1 -16 -3  20 o 122.0766 27.15945 467.6060       154.4223 326.2395       417.9323 489.9574       166.1823 88.16227 40.99931 123.1768 28.74629 -35.01448      50.07288 
1 1 1 -16 -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -2  2  f 80.44359 12.57329 160.9620       46.77402 160.9620       46.77402 0.000000       0.000000 80.44359 12.57329 ?        ?        0.000000       12.57329 
1 1 1 -16 -2  3  o 92.21094 16.22299 214.8387       68.90883 214.8387       68.90883 0.000000       0.000000 92.21094 16.22299 ?        ?        0.000000       16.22299 
1 1 1 -16 -2  4  o 216.6609 8.637276 1133.418       89.28830 1133.418       89.28830 0.000000       0.000000 216.6609 8.637276 ?        ?        0.000000       8.637276 
1 1 1 -16 -2  5  o 67.85748 13.42203 116.1154       42.00066 -22.29572      137.8270 130.2845       44.09808 57.65139 25.46948 72.00446 13.29990 -14.35307      28.73294 
1 1 1 -16 -2  6  o 147.4408 9.287538 527.1499       65.13503 543.0270       143.8098 523.0523       73.05829 145.4580 21.31164 146.5771 10.49491 -1.119080      23.75562 
1 1 1 -16 -2  7  o 215.3706 8.694584 1121.516       89.34082 1122.774       179.4386 1121.101       103.0174 211.6771 17.89861 214.9214 10.05375 -3.244217      20.52896 
1 1 1 -16 -2  8  o 131.0737 10.10946 419.0183       62.86158 645.7579       171.8293 383.9832       67.54379 156.9096 23.63871 125.0935 11.41966 31.81603       26.25256 
1 1 1 -16 -2  9  o 107.2228 11.90598 283.8561       60.00473 277.9980       182.9547 284.5622       63.51817 99.74387 32.98721 107.1437 12.64325 -7.399788      35.32715 
1 1 1 -16 -2  10 o 172.0923 10.23265 722.0496       83.80933 808.1863       211.6478 706.0313       91.27001 173.2840 26.37864 169.8006 11.30738 3.483337       28.69999 
1 1 1 -16 -2  11 o 79.05716 17.22091 162.2112       63.24240 508.5898       214.5334 129.2457       66.18346 131.4172 33.91716 70.22059 19.17719 61.19665       38.96329 
1 1 1 -16 -2  12 o 92.48688 21.37194 228.3582       92.60300 290.1708       321.1906 222.7543       96.70961 103.3322 41.84619 90.96581 22.39063 12.36635       47.45992 
1 1 1 -16 -2  13 o 173.1978 26.49487 823.6168       212.4245 823.6168       212.4245 0.000000       0.000000 173.1978 26.49487 ?        ?        0.000000       26.49487 
1 1 1 -16 -2  14 o 128.8486 15.18493 421.6247       91.74641 509.3987       195.5898 396.8633       103.8845 130.2586 31.70971 123.4631 18.14021 6.795555       36.53181 
1 1 1 -16 -2  15 o 105.9586 20.63482 303.8910       100.7705 -134.5140      324.3405 350.7321       106.0173 72.78014 34.54360 114.3233 20.13202 -41.54313      39.98198 
1 1 1 -16 -2  16 o 116.2040 16.97677 353.2863       91.53220 435.0785       280.1689 343.5131       96.84648 108.6181 40.40017 113.7078 18.44652 -5.089684      44.41225 
1 1 1 -16 -2  17 o 179.8352 13.36123 817.1029       114.0553 1063.164       208.7743 712.4229       136.1718 195.9300 22.70781 164.6942 17.56496 31.23579       28.70840 
1 1 1 -16 -2  18 o 47.81352 20.11385 26.89569       78.11006 -318.5770      306.3693 50.91311       80.77957 60.94081 29.98188 52.19542 21.03997 8.745388       36.62777 
1 1 1 -16 -2  19 o 100.1184 28.06696 324.4079       139.7234 274.7779       324.4931 335.7040       154.8100 85.98304 38.46485 99.76927 30.01721 -13.78623      48.79116 
1 1 1 -16 -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 -1  4  o 111.3517 14.51253 308.7954       75.42232 308.7954       75.42232 0.000000       0.000000 111.3517 14.51253 ?        ?        0.000000       14.51253 
1 1 1 -16 -1  5  o 134.6715 9.961079 441.4414       63.68035 441.4414       63.68035 0.000000       0.000000 134.6715 9.961079 ?        ?        0.000000       9.961079 
1 1 1 -16 -1  6  o 109.1538 10.02336 291.1242       51.72361 186.8329       117.7053 316.0825       57.58102 84.00965 26.34196 113.5995 10.72928 -29.58981      28.44321 
1 1 1 -16 -1  7  o 118.6518 9.651584 343.3496       54.27719 496.8231       140.1371 316.2634       58.87231 137.9473 21.98608 113.5064 10.98599 24.44084       24.57803 
1 1 1 -16 -1  8  o 66.69994 13.05872 112.6660       40.15125 34.57845       152.6889 118.4668       41.61586 65.36221 27.83616 68.39974 13.20434 -3.037529      30.80920 
1 1 1 -16 -1  9  o 114.0244 10.87213 319.4852       58.55148 392.1791       178.5903 310.7305       61.97704 116.8609 31.32807 112.1893 11.72809 4.671631       33.45140 
1 1 1 -16 -1  10 o 256.3187 9.674959 1597.830       118.3471 1435.965       228.0896 1657.461       138.4407 236.1277 20.40461 260.3392 11.14865 -24.21150      23.25168 
1 1 1 -16 -1  11 o 51.04075 17.12768 62.71008       49.28797 182.7051       134.4010 44.06493       52.97901 82.65086 28.27860 46.86288 17.54072 35.78798       33.27696 
1 1 1 -16 -1  12 o 63.24948 17.93243 104.5619       56.70533 103.4004       142.5309 104.7803       61.80739 70.98781 28.17141 63.39396 18.94222 7.593849       33.94755 
1 1 1 -16 -1  13 o 287.1754 10.20870 2019.268       139.9377 2282.708       324.1375 1958.918       155.1405 291.1272 23.48753 281.9244 11.53459 9.202850       26.16698 
1 1 1 -16 -1  14 o 74.83241 35.03728 -64.92211      313.7088 -64.92211      313.7088 0.000000       0.000000 74.83241 35.03728 ?        ?        0.000000       35.03728 
1 1 1 -16 -1  15 o 87.64052 24.01310 220.0395       103.5751 -230.0942      332.7192 268.3414       108.9906 68.67128 33.21246 97.08586 23.69333 -28.41458      40.79757 
1 1 1 -16 -1  16 o 77.91872 20.86527 169.4068       79.27479 -39.68142      344.4339 181.1025       81.46180 76.16334 35.98546 80.52032 20.96038 -4.356979      41.64482 
1 1 1 -16 -1  17 o 28.15624 14.08104 -198.0650      79.09291 -333.7515      367.0360 -191.4574      80.99584 66.06246 32.56240 29.01695 14.47088 37.04552       35.63308 
1 1 1 -16 -1  18 o 48.69829 20.48282 31.60544       80.98196 153.2047       384.9642 25.97524       82.83553 81.27724 38.29236 48.23125 20.52036 33.04600       43.44410 
1 1 1 -16 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0   7  o 241.3053 8.190927 1408.772       94.35788 971.0223       147.0700 1715.029       123.0136 197.0348 15.74338 265.6433 9.702334 -68.60852      18.49295 
1 1 1 -16 0   8  o 183.3063 15.83063 843.1389       137.3761 843.1389       137.3761 0.000000       0.000000 183.3063 15.83063 ?        ?        0.000000       15.83063 
1 1 1 -16 0   9  o 173.8466 9.955083 737.4540       82.39484 571.4202       155.7075 802.0275       97.10426 146.6243 22.96575 180.8041 11.29001 -34.17978      25.59081 
1 1 1 -16 0   10 o 94.60902 31.27922 255.9312       164.5033 255.9312       164.5033 0.000000       0.000000 94.60902 31.27922 ?        ?        0.000000       31.27922 
1 1 1 -16 0   11 o 56.27173 16.69382 81.58384       48.14081 1.541049       181.5555 87.63713       49.92798 65.41435 29.04817 58.15127 16.93416 7.263084       33.62383 
1 1 1 -16 0   12 o 26.74853 13.31899 -162.8308      67.50948 -38.28530      203.4860 -178.2348      71.56264 64.74754 29.56051 27.20349 13.57210 37.54406       32.52731 
1 1 1 -16 0   13 o 194.1280 12.19264 938.5655       112.5888 779.1662       194.9446 1018.345       137.9156 166.3690 25.30574 200.6166 14.47667 -34.24760      29.15398 
1 1 1 -16 0   14 o 118.9174 18.16433 375.1831       99.99913 -11.26006      315.1942 418.4341       105.4467 75.97904 35.42461 125.7582 18.05543 -49.77921      39.76055 
1 1 1 -16 0   15 o 75.39263 32.53807 116.5686       213.8338 116.5686       213.8338 0.000000       0.000000 75.39263 32.53807 ?        ?        0.000000       32.53807 
1 1 1 -16 0   16 o 63.41319 21.34922 110.0545       76.57495 -84.65195      378.0572 118.3842       78.19578 74.37206 35.82871 65.32230 21.56425 9.049751       41.81762 
1 1 1 -16 0   17 o 51.71682 23.22054 -1.686426      119.4399 -48.97493      393.1065 3.123067       125.3667 73.94936 35.84519 53.16806 23.83739 20.78130       43.04763 
1 1 1 -16 0   18 f 141.6931 20.71674 572.2196       136.1917 704.6628       266.4513 525.3813       158.4541 128.0739 39.55061 129.2741 26.52794 -1.200272      47.62334 
1 1 1 -16 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1   8  o 119.7902 24.71015 392.5457       136.8165 392.5457       136.8165 0.000000       0.000000 119.7902 24.71015 ?        ?        0.000000       24.71015 
1 1 1 -16 1   9  o 66.71262 17.32249 116.8885       55.73185 -1.507702      172.0763 130.7634       58.90702 63.81995 28.31323 70.48579 17.54884 -6.665848      33.31068 
1 1 1 -16 1   10 o 98.59097 16.45145 251.6790       74.81350 0.000000       0.000000 251.6790       74.81350 ?        ?        98.59097 16.45145 0.000000       16.45145 
1 1 1 -16 1   11 o 66.98386 14.69247 116.8991       45.75427 108.7629       132.0960 118.0083       48.77348 69.16774 27.22312 67.06032 15.52028 2.107422       31.33651 
1 1 1 -16 1   12 o 98.21249 16.01363 251.5914       72.60240 251.2168       160.9919 251.6871       81.34364 90.30000 30.94829 97.11562 18.18791 -6.815620      35.89703 
1 1 1 -16 1   13 o 80.36724 22.65133 183.5818       90.74978 -51.47110      195.6110 248.0475       102.4412 61.10844 28.29052 93.22693 23.10231 -32.11848      36.52493 
1 1 1 -16 1   14 o 81.27732 22.67270 189.6237       91.41785 221.0995       231.8168 183.8274       99.47983 85.10840 35.13189 79.46826 24.09559 5.640137       42.60102 
1 1 1 -16 1   15 o 90.23236 24.90916 245.5939       110.9772 144.5018       314.9707 259.9227       118.5817 80.30608 36.70692 92.13761 25.86609 -11.83153      44.90493 
1 1 1 -16 1   16 o 77.89017 21.78921 178.3858       84.30460 173.1502       197.9574 179.5457       93.17657 75.89850 31.97970 77.28740 23.29521 -1.388901      39.56473 
1 1 1 -16 1   17 o 83.71181 27.30446 232.4466       125.5230 286.9601       338.1627 223.7353       135.1808 83.33669 38.07019 81.39632 28.33757 1.940376       47.45901 
1 1 1 -16 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2   9  o 52.41342 20.35884 54.17883       73.08042 54.17883       73.08042 0.000000       0.000000 52.41342 20.35884 ?        ?        0.000000       20.35884 
1 1 1 -16 2   10 o 110.9741 10.59947 305.8416       55.55349 318.8577       108.8103 301.2526       64.60866 107.2780 21.95565 109.3059 12.59333 -2.027893      25.31092 
1 1 1 -16 2   11 o 43.72923 16.91759 36.46472       50.30977 -91.02267      276.7640 40.82130       51.16216 68.27098 32.25676 44.93971 17.14327 23.33127       36.52931 
1 1 1 -16 2   12 o 74.90324 18.60171 153.6143       66.30991 119.7013       333.2548 155.0123       67.66287 82.23983 37.65354 75.13647 18.86573 7.103355       42.11538 
1 1 1 -16 2   13 o 74.74056 21.85670 159.8405       83.01988 94.21968       165.0903 182.0518       96.04794 68.23737 28.99838 78.83946 23.62629 -10.60210      37.40464 
1 1 1 -16 2   14 o 35.33546 15.93720 -18.04668      56.98639 -72.22690      184.6461 -12.34276      59.91102 56.37311 26.54708 37.05069 16.55460 19.32242       31.28582 
1 1 1 -16 2   15 f 95.46839 16.74508 247.9295       73.64291 360.0364       131.4942 196.6980       88.89124 106.9944 25.97131 81.13380 22.25217 25.86056       34.20041 
1 1 1 -16 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3   10 o 74.20593 19.39215 152.2976       69.54861 152.2976       69.54861 0.000000       0.000000 74.20593 19.39215 ?        ?        0.000000       19.39215 
1 1 1 -16 3   11 o 117.7900 13.34923 354.9694       73.85110 0.000000       0.000000 354.9694       73.85110 ?        ?        117.7900 13.34923 0.000000       13.34923 
1 1 1 -16 3   12 o 33.64333 14.79328 -5.002487      45.98595 -80.23756      90.03793 21.54907       53.48849 38.43935 18.23162 40.85817 16.87167 -2.418823      24.84039 
1 1 1 -16 3   13 o 94.46439 19.15690 250.9565       83.55351 262.3277       164.8643 247.0264       96.92278 86.16972 31.16311 91.20889 22.39427 -5.039169      38.37503 
1 1 1 -16 3   14 o 81.53383 18.08858 187.2276       68.66503 -91.91135      308.1761 201.8093       70.43567 65.03062 31.57242 84.84673 17.92640 -19.81612      36.30666 
1 1 1 -16 4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4   11 o 53.23346 19.32199 72.77001       63.45475 72.77001       63.45475 0.000000       0.000000 53.23346 19.32199 ?        ?        0.000000       19.32199 
1 1 1 -16 4   12 o 22.04003 10.73350 -59.88015      36.36917 -96.50488      83.80567 -51.38219      40.36860 35.04859 16.88069 24.69324 11.84720 10.35535       20.62314 
1 1 1 -16 5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 6   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 6   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 6   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 6   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 6   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 6   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 7   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -22 1  o 61.79583 22.64574 91.21834       87.46616 91.21834       87.46616 0.000000       0.000000 61.79583 22.64574 ?        ?        0.000000       22.64574 
1 1 1 -15 -22 2  o 106.6173 14.22252 289.2537       70.68913 302.4500       122.2355 282.6228       86.64774 103.1289 25.04478 103.4810 18.17705 -0.3521042     30.94586 
1 1 1 -15 -22 3  f 84.77526 16.74001 189.2210       65.43882 159.0049       121.5018 201.5671       77.66552 76.02225 26.83537 86.40035 19.29058 -10.37810      33.04941 
1 1 1 -15 -21 1  o 52.46437 21.95443 26.50308       92.30657 26.50308       92.30657 0.000000       0.000000 52.46437 21.95443 ?        ?        0.000000       21.95443 
1 1 1 -15 -21 2  o 120.7566 13.97161 365.8239       79.17512 406.8884       111.5574 324.1454       112.3883 124.9381 19.29752 109.8322 22.16842 15.10593       29.39103 
1 1 1 -15 -21 3  o 130.6908 14.97875 431.2517       91.90063 638.0827       151.6874 311.3040       115.5148 155.7294 20.90097 106.8333 23.27607 48.89606       31.28300 
1 1 1 -15 -21 4  o 67.96027 19.43068 122.6957       66.29959 197.9377       86.58525 16.05365       103.0808 85.41743 21.28131 53.02830 22.73461 32.38913       31.14092 
1 1 1 -15 -21 5  o 154.8646 12.49678 597.0833       91.73975 651.5673       134.3179 549.4426       125.5997 158.5364 18.04196 145.1564 18.51975 13.37999       25.85524 
1 1 1 -15 -21 6  f 55.07631 22.13493 52.39133       89.11827 -12.63029      161.4196 80.89964       106.8841 60.21179 27.01783 62.32441 24.50052 -2.112617      36.47244 
1 1 1 -15 -21 7  o 103.6439 18.54156 285.3759       88.50203 262.8283       130.1069 304.7934       120.7390 94.51070 27.28181 103.4419 24.74673 -8.931168      36.83338 
1 1 1 -15 -20 1  o 187.5672 10.39600 857.6199       92.86015 911.8149       130.5389 802.1011       132.1236 191.7746 14.34159 179.2277 15.57383 12.54684       21.17134 
1 1 1 -15 -20 2  o 192.0692 9.826017 897.9738       89.92860 994.2532       120.2305 775.7063       135.4888 201.0012 12.57444 175.7043 16.31560 25.29695       20.59891 
1 1 1 -15 -20 3  o 208.7683 11.01645 1066.326       109.5658 1141.082       158.7243 998.2819       151.4316 213.5331 15.65667 199.4524 16.01517 14.08072       22.39681 
1 1 1 -15 -20 4  o 82.35149 15.05672 173.3208       57.09647 230.9158       95.21606 140.9822       71.34730 92.74837 21.83719 72.99772 19.90129 19.75066       29.54529 
1 1 1 -15 -20 5  f 53.92951 19.96580 62.43072       68.28001 -1.148530      91.99554 140.4142       101.8850 48.69694 21.17783 73.41961 24.62526 -24.72267      32.47928 
1 1 1 -15 -20 6  o 91.41634 21.19142 224.3511       90.80862 357.1270       160.6214 161.9746       110.0917 111.1299 29.67395 77.75185 25.58333 33.37804       39.17971 
1 1 1 -15 -20 7  o 177.9296 12.31655 783.8615       104.1255 649.1356       161.1265 880.4720       136.4438 155.9332 22.24297 186.8457 15.41124 -30.91254      27.06023 
1 1 1 -15 -20 8  o 82.51154 22.74411 187.9706       92.60060 117.4342       126.8318 268.4932       135.5129 70.45125 26.96317 96.10307 27.87321 -25.65182      38.78051 
1 1 1 -15 -20 9  o 77.64404 22.90083 167.1568       90.81011 398.3553       212.3101 115.3886       100.4637 110.4675 35.46824 67.40026 24.33318 43.06728       43.01279 
1 1 1 -15 -19 1  o 196.1268 10.32019 934.1357       96.42773 1036.059       145.7325 854.7602       128.6064 204.8466 14.98421 186.1334 14.56804 18.71324       20.89867 
1 1 1 -15 -19 2  o 89.27028 15.63925 201.6431       64.31559 316.6305       84.91202 46.88923       98.50650 112.1487 16.31481 57.61678 23.23102 54.53196       28.38755 
1 1 1 -15 -19 3  o 180.1179 10.90966 790.6815       93.50516 683.0986       131.3336 901.2737       133.1578 165.1517 16.87025 190.8980 14.70327 -25.74628      22.37837 
1 1 1 -15 -19 4  o 50.37672 17.22717 59.12922       49.87717 93.67391       84.98122 40.97616       61.60376 63.36209 22.43581 48.39239 18.72076 14.96970       29.22041 
1 1 1 -15 -19 5  o 85.84217 15.02143 187.0975       59.40385 138.2683       98.46635 215.0389       74.48561 73.37766 24.19730 91.26474 17.71003 -17.88708      29.98590 
1 1 1 -15 -19 6  o 70.75980 18.68329 131.1956       64.12627 205.4138       155.1090 115.8948       70.42686 87.45519 30.35995 66.83784 20.27567 20.61736       36.50793 
1 1 1 -15 -19 7  o 37.46496 16.15508 -1.120982      52.62258 -54.62562      110.2362 14.66964       59.88639 47.45607 21.70074 42.55744 17.73676 4.898632       28.02703 
1 1 1 -15 -19 8  o 110.1293 18.37520 314.6109       93.34149 811.8483       203.7008 182.4552       105.0156 173.1128 25.36476 81.88152 24.74204 91.23130       35.43359 
1 1 1 -15 -19 9  o 66.52442 21.05671 115.4352       75.04330 18.18801       124.1033 171.4884       94.22044 57.67941 24.83994 79.43144 23.29991 -21.75204      34.05743 
1 1 1 -15 -19 10 o 104.7488 18.43660 288.0946       88.95872 223.1909       156.2777 319.2063       108.1992 88.26080 30.48250 108.7126 21.57942 -20.45177      37.34775 
1 1 1 -15 -19 11 o 54.61847 22.12022 48.56859       89.75599 37.24937       249.8329 50.24609       96.17716 75.11028 33.66465 56.03131 22.82186 19.07897       40.67120 
1 1 1 -15 -19 12 o 87.96185 22.93565 217.0972       97.43138 423.9481       163.1852 102.5110       121.4558 119.1401 28.94002 67.02234 26.18527 52.11774       39.02810 
1 1 1 -15 -18 1  o 279.4995 8.647446 1885.008       115.4129 1935.395       136.0813 1755.888       217.8390 282.7417 10.08315 266.0870 17.21635 16.65469       19.95176 
1 1 1 -15 -18 2  o 218.0310 9.128145 1149.315       94.93960 1211.414       122.3455 1055.320       150.5215 223.1213 11.50822 206.7830 15.33477 16.33835       19.17275 
1 1 1 -15 -18 3  o 39.73779 17.26289 -6.387173      60.98927 -119.4885      111.8025 41.52814       72.77044 43.09944 20.40481 51.32988 20.20460 -8.230434      28.71554 
1 1 1 -15 -18 4  o 81.12123 17.42875 168.8286       65.57838 112.6152       100.6092 210.3539       86.47170 69.29395 24.42297 89.88306 20.56892 -20.58911      31.93058 
1 1 1 -15 -18 5  o 74.33552 17.67666 142.4561       61.89783 224.2782       145.4383 124.3574       68.40192 91.81086 29.34337 69.46426 19.69551 22.34660       35.34044 
1 1 1 -15 -18 6  o 150.6679 11.67617 555.6529       83.45054 447.9562       128.2065 634.8259       109.9252 131.6894 21.07370 160.1212 14.51712 -28.43188      25.58999 
1 1 1 -15 -18 7  o 124.9958 16.18935 393.5025       94.47572 429.0253       191.2495 382.0357       108.6594 122.6416 32.20986 121.8793 19.28920 0.7623367      37.54395 
1 1 1 -15 -18 8  o 123.1472 14.52667 379.4158       83.88225 506.2012       134.0467 297.8143       107.5402 139.5864 20.71386 105.9464 21.95344 33.64005       30.18306 
1 1 1 -15 -18 9  f 139.6033 13.99989 486.0543       92.17942 414.6107       144.8244 534.7082       119.5142 123.2108 25.42934 144.8053 17.62608 -21.59453      30.94075 
1 1 1 -15 -18 10 o 74.69537 22.92712 148.5791       89.70393 444.9299       238.4320 99.71588       96.81723 119.3864 37.49952 65.30329 23.84230 54.08315       44.43725 
1 1 1 -15 -18 11 o 71.85719 23.01993 136.5520       89.46951 -46.28806      151.5352 234.3983       110.8537 56.67878 25.73355 92.01339 24.68861 -35.33461      35.66151 
1 1 1 -15 -18 12 o 195.2087 14.24908 955.7051       132.0666 917.6298       205.5050 982.4930       172.3736 183.7632 23.96152 194.6870 18.75101 -10.92380      30.42622 
1 1 1 -15 -18 13 o 60.68459 26.44322 22.75299       144.0248 -116.8317      220.5168 126.5895       190.1944 61.95483 29.12438 76.81828 31.77664 -14.86345      43.10434 
1 1 1 -15 -17 1  o 152.1789 9.395542 560.5137       68.02393 659.3909       96.13307 461.3591       96.26780 164.4093 12.31992 136.6468 14.98110 27.76251       19.39623 
1 1 1 -15 -17 2  o 218.7111 8.865223 1154.733       92.50557 1279.145       117.0688 947.9219       150.9375 229.7105 10.68918 195.8146 16.26976 33.89592       19.46698 
1 1 1 -15 -17 3  f 113.2087 12.26971 314.7935       65.34793 321.0764       119.4077 312.1072       78.07791 110.8704 23.27015 112.0043 14.95426 -1.133904      27.66098 
1 1 1 -15 -17 4  o 193.6626 10.20881 909.3443       94.18736 977.4916       154.7407 869.2371       118.7111 198.6376 16.44140 188.4192 13.26298 10.21838       21.12407 
1 1 1 -15 -17 5  o 80.39878 17.52329 165.7303       65.44930 172.0100       101.5768 161.2724       85.58318 81.29781 24.28127 78.73814 21.92720 2.559662       32.71669 
1 1 1 -15 -17 6  o 81.36082 17.99810 170.2656       68.15081 172.8018       107.2612 168.5486       88.25471 81.53185 25.07888 80.33778 22.22693 1.194077       33.51099 
1 1 1 -15 -17 7  o 112.2074 12.73635 310.6092       67.11695 339.7787       126.8210 299.2610       79.10249 113.4037 24.13310 109.2834 15.58077 4.120209       28.72571 
1 1 1 -15 -17 8  o 62.41042 20.24549 96.31470       69.06071 121.9259       113.6709 81.33015       86.94738 72.18034 25.90557 61.42226 22.56696 10.75808       34.35645 
1 1 1 -15 -17 9  o 35.96735 16.90813 -72.51820      74.32661 -128.4990      209.8397 -64.48712      79.47949 62.38242 29.02438 38.38117 17.85921 24.00125       34.07882 
1 1 1 -15 -17 10 o 110.1293 15.94909 307.1531       81.53287 230.9532       147.9989 340.3561       97.69447 91.62817 29.63063 115.0421 18.38088 -23.41389      34.86877 
1 1 1 -15 -17 11 o 125.6095 16.62766 401.2258       97.40295 625.2004       241.9560 357.9090       106.4058 144.2568 35.36101 117.1489 19.69665 27.10788       40.47665 
1 1 1 -15 -17 12 o 158.8879 13.46587 627.8061       101.3276 571.5132       163.9544 662.5950       128.8894 145.3907 24.45441 161.4866 16.94663 -16.09590      29.75242 
1 1 1 -15 -17 13 o 64.06438 24.13597 92.08951       100.6593 -53.55550      141.8931 239.6413       142.8189 54.10443 24.69496 91.57817 29.05635 -37.47374      38.13282 
1 1 1 -15 -17 14 o 89.00419 27.63935 228.5309       129.9182 506.0916       251.1397 127.1099       151.8100 122.6011 38.48256 73.98774 29.16434 48.61340       48.28526 
1 1 1 -15 -17 15 o 77.96661 34.78370 72.19887       263.4489 72.19887       263.4489 0.000000       0.000000 77.96661 34.78370 ?        ?        0.000000       34.78370 
1 1 1 -15 -16 1  o 290.9236 8.241520 2036.882       114.5135 2175.776       134.1146 1663.144       219.9974 300.3993 9.349702 259.6015 17.83399 40.79785       20.13624 
1 1 1 -15 -16 2  o 93.37954 12.67901 215.1208       55.14288 210.2935       105.3673 216.9417       64.71225 89.90607 24.04629 93.22007 15.03118 -3.314003      28.35772 
1 1 1 -15 -16 3  o 132.1292 10.93113 424.7494       68.43400 465.7743       97.56210 385.0137       96.01698 137.3625 15.10508 124.3247 16.56599 13.03781       22.41864 
1 1 1 -15 -16 4  o 26.02169 12.51322 -66.87028      45.62693 81.46770       135.3456 -85.88980      48.46382 69.67052 27.51423 25.42543 12.38402 44.24508       30.17278 
1 1 1 -15 -16 5  o 96.28032 13.88960 230.4260       62.08805 265.1757       104.8027 211.6346       77.06834 100.9135 22.31584 90.99356 18.34972 9.919907       28.89132 
1 1 1 -15 -16 6  o 119.8310 15.31549 357.2679       85.73935 442.0947       116.2239 255.9840       126.9987 132.2566 18.91939 98.06010 26.47535 34.19651       32.54055 
1 1 1 -15 -16 7  f 132.1938 14.64692 432.7479       91.01770 436.5557       126.6960 428.6869       130.8410 130.4938 21.02196 128.8816 22.02519 1.612152       30.44719 
1 1 1 -15 -16 8  o 164.6458 12.32176 663.1644       96.28754 644.3840       150.4955 676.1799       125.2865 159.2807 20.21786 164.9588 16.09053 -5.678040      25.83925 
1 1 1 -15 -16 9  o 127.3508 14.18133 401.7656       84.87999 611.8573       150.2989 303.3831       102.8514 154.7473 20.84499 108.3028 20.61667 46.44456       29.31827 
1 1 1 -15 -16 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -16 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -16 14 o 123.4753 18.59891 395.6200       106.3886 459.2535       163.5529 348.9452       140.0736 127.6932 27.59692 111.4806 26.64474 16.21262       38.36056 
1 1 1 -15 -16 15 o 56.68892 24.30937 23.08590       117.9040 -178.8751      257.9743 76.41090       132.5587 64.51241 30.67344 65.60454 26.76585 -1.092125      40.70958 
1 1 1 -15 -16 16 o 78.05666 22.15176 168.6089       86.48734 25.26121       270.7503 184.8982       91.26911 75.88860 34.43246 81.48527 22.62580 -5.596672      41.20098 
1 1 1 -15 -15 1  o 257.1826 10.32050 1598.101       126.6391 1508.590       158.2970 1757.241       211.0695 248.9714 13.34766 267.5017 16.58563 -18.53032      21.28951 
1 1 1 -15 -15 2  o 76.19874 21.09166 148.5757       79.44886 181.5673       127.9781 127.8881       101.3419 85.03440 27.55817 73.00781 24.56018 12.02659       36.91416 
1 1 1 -15 -15 3  o 266.8717 10.95112 1722.872       139.4267 1714.746       183.7774 1733.893       214.0174 265.0436 14.55921 265.5568 16.94553 -0.5131836     22.34103 
1 1 1 -15 -15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -15 9  o 228.7896 12.43500 1277.291       135.5049 1284.817       210.2042 1271.939       177.2486 226.0859 19.64204 226.5833 16.47494 -0.4973297     25.63656 
1 1 1 -15 -15 10 o 150.0939 14.35156 556.5797       101.7315 697.9623       238.5314 525.1451       112.4737 158.9019 32.49564 144.9972 16.51920 13.90472       36.45340 
1 1 1 -15 -15 11 o 163.2716 12.50781 653.4954       96.89045 732.6545       159.7699 607.4490       121.8547 169.7715 20.07211 155.9085 16.60309 13.86307       26.04904 
1 1 1 -15 -15 12 o 217.4454 12.16662 1157.333       125.9776 1401.256       200.0974 997.1610       162.1469 236.2560 17.84736 199.4713 17.16970 36.78476       24.76544 
1 1 1 -15 -15 13 o 57.60812 20.65416 75.43780       72.23620 -379.5444      230.9592 124.7713       76.05170 53.62757 26.31308 69.27154 21.08126 -15.64397      33.71643 
1 1 1 -15 -15 14 o 104.8744 20.80618 291.3350       100.6367 219.9738       153.6990 344.8877       133.1469 89.18935 30.24583 111.9188 25.45998 -22.72945      39.53506 
1 1 1 -15 -15 15 o 167.0159 16.42929 707.1202       129.4889 903.6237       261.4896 643.2781       149.0468 176.1956 32.22940 156.9074 20.34747 19.28819       38.11501 
1 1 1 -15 -15 16 o 109.7802 18.57449 315.8867       94.01427 280.7185       266.2906 320.8944       100.4851 97.59472 38.57735 110.0195 19.83344 -12.42479      43.37715 
1 1 1 -15 -15 17 o 71.05348 20.02367 136.7798       70.92099 585.4697       171.2712 43.92229       77.91479 143.8876 25.84728 51.50347 20.69762 92.38409       33.11304 
1 1 1 -15 -15 18 o 52.62162 22.41477 25.53712       99.03995 123.5742       177.2782 -18.94471      119.4130 74.36155 30.71172 51.65141 23.20237 22.71014       38.49104 
1 1 1 -15 -14 1  o 187.3273 10.87522 849.9135       96.97866 947.0838       147.9887 776.7791       128.3875 196.3767 15.89853 177.9285 15.23937 18.44814       22.02275 
1 1 1 -15 -14 2  o 181.9110 10.54865 801.1210       91.34765 917.5142       136.7695 707.3865       122.7369 193.5574 14.89435 169.6988 15.29210 23.85858       21.34690 
1 1 1 -15 -14 3  o 243.4672 9.720412 1430.676       112.9171 1199.398       192.0117 1552.943       139.6094 220.1143 18.41475 253.1770 11.56460 -33.06267      21.74495 
1 1 1 -15 -14 4  o 114.3052 12.18312 319.7437       65.55340 343.5229       112.0760 307.3783       80.81991 116.1096 20.96115 111.2188 15.63028 4.890762       26.14719 
1 1 1 -15 -14 5  o 193.4231 11.55012 907.7039       106.3214 801.9370       177.0459 967.3624       132.9679 178.6590 21.13665 199.0058 14.06631 -20.34682      25.38935 
1 1 1 -15 -14 6  o 140.8482 11.91562 483.4699       79.48518 509.2238       127.0313 466.8990       101.8971 142.5210 19.12566 137.4041 15.79866 5.116943       24.80703 
1 1 1 -15 -14 7  o 208.5536 11.72939 1056.185       116.4790 1038.788       176.0275 1069.735       155.3550 204.6115 18.18379 208.6225 15.69098 -4.010986      24.01785 
1 1 1 -15 -14 8  f 71.11202 23.96663 122.1363       96.50136 -24.29868      206.9952 162.8012       109.0807 70.57855 31.19518 80.07273 25.39198 -9.494179      40.22303 
1 1 1 -15 -14 9  o 102.1778 18.99715 266.7395       89.38630 197.9527       136.6063 318.2418       118.2038 87.60948 28.47804 110.3950 23.13746 -22.78550      36.69252 
1 1 1 -15 -14 10 o 125.2212 15.22524 389.9154       89.27769 410.0609       215.6177 385.7470       98.08023 120.6917 35.20394 123.9645 16.99615 -3.272781      39.09203 
1 1 1 -15 -14 11 o 212.6272 12.35183 1104.171       125.0215 1088.296       194.9986 1115.251       162.9108 207.6460 19.88532 212.0998 16.18806 -4.453812      25.64136 
1 1 1 -15 -14 12 o 56.11897 19.90779 70.56043       66.93562 53.41086       154.3061 74.53542       74.28901 68.46323 28.49724 58.15549 20.93381 10.30775       35.35983 
1 1 1 -15 -14 13 o 90.77288 18.01824 212.1807       75.43504 -6.242896      145.0952 293.0889       88.30795 60.24144 26.38921 107.1377 17.86950 -46.89622      31.87020 
1 1 1 -15 -14 14 o 150.5735 13.49911 561.7797       96.14668 603.8707       169.3943 541.7749       116.7806 150.5814 24.36134 146.3606 17.00554 4.220795       29.70965 
1 1 1 -15 -14 15 o 103.2692 23.37793 289.0943       112.7244 -34.67868      248.4506 373.0199       126.4932 72.68809 32.98178 117.7006 23.30401 -45.01247      40.38409 
1 1 1 -15 -14 16 o 111.8861 21.58500 334.6657       111.2778 173.4053       267.0002 368.5643       122.4162 89.22559 37.33837 116.9228 22.71815 -27.69726      43.70662 
1 1 1 -15 -14 17 o 155.4853 13.77683 605.5776       101.3522 624.6129       197.5190 598.7744       118.0831 147.2765 29.08460 153.1887 16.37703 -5.912231      33.37846 
1 1 1 -15 -14 18 o 97.82829 17.52689 251.9976       78.96346 555.8552       185.7961 185.0142       87.23383 137.0007 29.25620 81.73666 21.88764 55.26399       36.53757 
1 1 1 -15 -14 19 o 60.24271 24.67225 65.19738       113.1645 388.7050       320.2601 19.04222       120.9681 102.3448 41.66039 55.79974 24.27554 46.54504       48.21711 
1 1 1 -15 -13 1  o 290.5119 8.603934 2031.177       119.3687 1960.423       175.6960 2091.836       162.6801 284.1841 12.96580 294.0171 11.59594 -9.833008      17.39477 
1 1 1 -15 -13 2  o 159.7014 10.49225 617.7441       79.66612 489.1160       120.9229 716.3903       105.8963 139.9810 18.52305 171.4566 13.01593 -31.47562      22.63886 
1 1 1 -15 -13 3  o 204.6019 11.04857 1013.750       107.6738 984.2870       159.1649 1038.611       146.2066 199.9147 16.80859 206.0157 14.94589 -6.100998      22.49240 
1 1 1 -15 -13 4  f 285.3594 8.993354 1961.873       122.5405 2093.189       193.5979 1874.093       158.2840 293.2128 13.84964 278.0676 11.93412 15.14523       18.28212 
1 1 1 -15 -13 5  o 167.3853 12.18694 681.7921       96.85789 654.3389       167.6304 695.5513       118.6731 160.6494 22.43672 168.3508 14.89808 -7.701416      26.93249 
1 1 1 -15 -13 6  o 102.5792 16.16250 263.0043       76.64362 189.8257       109.4299 333.4672       107.3801 85.80127 25.09415 114.5302 20.35671 -28.72897      32.31272 
1 1 1 -15 -13 7  o 99.78383 14.63214 247.3079       67.73033 234.2431       126.7070 252.5344       80.14085 94.63261 26.79744 100.1358 17.36944 -5.503151      31.93431 
1 1 1 -15 -13 8  o 138.2064 15.74719 472.4946       102.1954 620.5267       205.2303 423.6862       117.8449 153.2796 29.06922 129.5704 19.63858 23.70921       35.08125 
1 1 1 -15 -13 9  o 97.40134 19.12328 242.2640       85.87039 355.6994       133.7019 162.6218       112.0302 116.5917 24.75233 80.26422 25.76391 36.32751       35.72754 
1 1 1 -15 -13 10 f 117.0519 19.30708 348.5281       104.2810 371.2322       201.0276 340.1694       121.9758 115.7975 34.05171 114.2400 23.12739 1.557426       41.16303 
1 1 1 -15 -13 11 o 123.7330 13.80669 378.2409       80.28381 323.9558       140.8309 404.3761       97.71709 109.8938 27.00181 127.1535 16.46023 -17.25966      31.62336 
1 1 1 -15 -13 12 o 116.3441 16.10844 339.4553       87.19855 459.7486       222.3796 317.5992       94.78971 126.9954 35.33812 111.6986 18.38968 15.29675       39.83670 
1 1 1 -15 -13 13 o 45.20948 18.46422 22.11025       63.16301 49.10923       134.0690 14.40808       71.60793 64.55373 26.68899 46.20688 19.33645 18.34686       32.95756 
1 1 1 -15 -13 14 o 248.2751 12.92196 1511.500       152.8526 1506.435       235.0707 1515.210       201.1938 243.3860 20.38922 246.2198 17.19979 -2.833710      26.67495 
1 1 1 -15 -13 15 o 257.6860 12.36681 1629.988       151.9103 1356.605       287.6125 1735.762       178.9002 223.9339 27.43712 264.8529 14.18024 -40.91899      30.88486 
1 1 1 -15 -13 16 o 181.9124 14.41543 825.7186       124.3470 1002.781       204.8253 722.3724       156.4833 195.1367 22.35842 166.8866 20.01134 28.25012       30.00588 
1 1 1 -15 -13 17 o 136.3928 16.27350 473.5734       104.0250 654.1530       189.5013 395.6888       124.4525 153.4454 26.80664 121.3927 22.26406 32.05266       34.84658 
1 1 1 -15 -13 18 o 78.57558 20.63370 167.2416       78.49043 -202.0231      303.9117 193.6326       81.24685 68.92622 32.91696 84.67771 20.32731 -15.75150      38.68754 
1 1 1 -15 -13 19 o 70.02408 26.60641 121.9740       122.9289 -147.2446      321.0571 168.2224       133.0695 71.45990 34.04507 77.84737 28.01786 -6.387466      44.09158 
1 1 1 -15 -12 1  o 110.4461 10.37993 296.5102       54.16671 291.3962       73.50650 302.5871       80.12764 108.6260 14.51726 110.4616 15.60700 -1.835533      21.31500 
1 1 1 -15 -12 2  o 161.0335 10.78824 628.2718       82.57764 646.7291       138.1288 618.0062       103.0131 161.4530 18.21238 159.0635 13.67881 2.389496       22.77719 
1 1 1 -15 -12 3  o 343.9991 8.275173 2844.356       136.0952 3014.819       208.9382 2718.734       179.3643 352.7406 12.40884 335.3703 11.20245 17.37027       16.71748 
1 1 1 -15 -12 4  o 229.8948 11.12220 1279.261       121.8814 1304.212       174.5481 1255.520       170.2645 230.6460 15.92707 226.3122 15.83643 4.333771       22.46028 
1 1 1 -15 -12 5  o 395.1961 8.530057 3756.510       161.1658 3702.600       246.9873 3796.487       212.6856 390.4420 13.25072 396.2435 11.23845 -5.801453      17.37482 
1 1 1 -15 -12 6  o 306.3844 9.997282 2265.802       146.2430 2383.752       275.8449 2219.688       172.4777 310.6027 18.66204 302.6237 11.94471 7.978912       22.15734 
1 1 1 -15 -12 7  o 107.1776 16.27565 286.8486       80.77870 293.2476       123.8844 282.1158       106.5434 105.9387 24.88564 104.6446 21.99574 1.294159       33.21307 
1 1 1 -15 -12 8  o 169.5377 13.48261 702.2957       108.3825 425.4525       212.6340 799.4678       125.9757 124.8281 34.48699 180.5926 14.71830 -55.76449      37.49641 
1 1 1 -15 -12 9  o 184.8109 11.50877 829.4460       101.1822 800.2034       154.8211 851.2482       133.6816 179.3819 18.30921 186.1820 15.14928 -6.800095      23.76400 
1 1 1 -15 -12 10 o 91.99408 19.68400 217.3461       83.95638 99.63878       124.1135 316.6438       113.9953 70.62233 26.75731 110.6528 22.31943 -40.03044      34.84409 
1 1 1 -15 -12 11 o 147.0887 14.02550 532.7673       97.43667 612.4205       216.1486 512.4532       109.1566 150.1206 31.13849 143.5403 16.18828 6.580276       35.09510 
1 1 1 -15 -12 12 o 42.48804 17.73273 11.82799       59.98272 -90.88194      125.7338 42.09096       68.24981 48.83457 22.63371 50.42192 19.64929 -1.587357      29.97298 
1 1 1 -15 -12 13 o 77.70453 20.64363 157.3404       77.98369 495.5409       228.3024 112.6678       82.97440 131.5682 35.48679 67.48235 22.21046 64.08582       41.86427 
1 1 1 -15 -12 14 o 241.2107 13.63980 1428.743       156.6533 1508.757       273.4855 1389.671       191.1121 241.3950 24.01545 236.1352 17.04319 5.259750       29.44847 
1 1 1 -15 -12 15 o 197.0752 12.83090 954.0823       120.2347 1166.491       203.7172 840.5403       148.9428 213.9678 20.15187 182.9496 17.23156 31.01820       26.51461 
1 1 1 -15 -12 16 o 158.8918 17.81123 642.1558       132.9758 879.5248       292.4484 580.2886       149.3027 171.3849 36.79195 148.9087 21.60190 22.47624       42.66485 
1 1 1 -15 -12 17 o 215.4734 14.74356 1160.568       150.9661 519.2076       318.0893 1347.034       171.5135 123.3782 43.43140 231.6255 15.57890 -108.2473      46.14097 
1 1 1 -15 -12 18 o 41.28163 18.24217 -12.71876      70.74718 199.6456       177.5703 -52.78951      77.13353 85.96006 32.12552 38.44294 17.78604 47.51712       36.72046 
1 1 1 -15 -12 19 f 52.63306 20.83294 49.80586       77.75549 13.82037       188.1795 57.21471       85.38545 66.47061 29.54206 55.31300 21.85081 11.15761       36.74495 
1 1 1 -15 -12 20 o 81.18322 26.67887 190.9864       119.7369 157.3041       201.9225 209.2533       148.7019 79.59494 32.81551 84.08543 29.68703 -4.490486      44.25130 
1 1 1 -15 -11 1  o 62.82442 17.70256 99.22425       55.43525 84.94019       72.40216 119.4620       86.18014 60.80870 20.75672 70.06368 22.60681 -9.254978      30.69054 
1 1 1 -15 -11 2  o 133.3092 10.91934 431.4248       68.98360 405.3141       104.0039 451.9353       92.17823 127.6434 17.50336 135.7087 14.42822 -8.065331      22.68349 
1 1 1 -15 -11 3  o 179.9868 9.936479 782.6593       85.17126 829.6623       137.5614 753.4395       108.4608 183.8831 15.80061 175.9241 12.98709 7.958954       20.45296 
1 1 1 -15 -11 4  o 294.6078 9.709261 2092.700       136.5668 2005.915       253.7228 2128.098       162.0425 285.1279 18.71627 296.5974 11.44905 -11.46951      21.94036 
1 1 1 -15 -11 5  o 249.3042 11.89769 1506.509       141.3987 1453.430       206.5813 1553.296       193.9515 242.7475 17.92681 251.6884 16.20449 -8.940887      24.16518 
1 1 1 -15 -11 6  o 352.8235 11.53561 3012.782       194.3221 3078.175       243.5757 2898.294       322.2930 355.4398 14.36333 341.9873 19.79670 13.45245       24.45842 
1 1 1 -15 -11 7  o 57.65318 21.82166 62.36341       82.49972 152.9906       180.0937 38.29448       92.81060 85.26502 32.24830 55.67982 22.51390 29.58520       39.32974 
1 1 1 -15 -11 8  o 150.9005 11.88684 554.4678       85.06424 477.3727       136.9696 602.8728       108.5314 137.0295 21.62377 156.6673 14.66028 -19.63783      26.12492 
1 1 1 -15 -11 9  o 107.5795 16.47907 289.3934       82.06060 276.0922       122.0455 300.3686       110.8614 102.6695 25.08210 107.9370 22.22407 -5.267479      33.51151 
1 1 1 -15 -11 10 o 131.7298 16.61116 431.6336       102.2933 433.6506       202.0639 430.9385       118.6159 126.0648 33.10758 130.6595 19.59190 -4.594711      38.47018 
1 1 1 -15 -11 11 o 247.1196 12.28837 1485.541       144.7255 1549.028       219.7996 1436.949       192.2929 249.6421 18.54877 241.2388 16.77731 8.403244       25.01070 
1 1 1 -15 -11 12 o 225.3725 13.02498 1241.282       139.7437 1320.463       240.2074 1200.774       171.8106 227.7946 22.34353 220.2368 16.43595 7.557770       27.73759 
1 1 1 -15 -11 13 o 96.67048 16.78383 236.8790       74.75759 359.6824       149.6141 196.0166       86.30361 115.4630 27.49868 86.64188 21.04629 28.82111       34.62837 
1 1 1 -15 -11 14 o 283.4929 13.69898 1971.725       185.1191 2018.695       291.6734 1940.042       239.5509 281.3988 21.85148 278.5732 18.08438 2.825592       28.36427 
1 1 1 -15 -11 15 o 242.6215 13.89844 1448.286       160.5399 1668.792       297.9889 1358.113       190.5587 252.8281 24.97885 233.1626 17.21613 19.66550       30.33708 
1 1 1 -15 -11 16 o 88.37896 19.91037 204.9395       82.10193 -103.1095      175.9611 290.6678       92.82582 57.87605 26.80729 106.0214 19.01175 -48.14536      32.86453 
1 1 1 -15 -11 17 o 138.5968 18.52869 494.1304       119.7010 226.3662       198.0307 648.2867       150.2578 91.60423 33.98576 157.9280 20.37505 -66.32374      39.62543 
1 1 1 -15 -11 18 o 109.0058 26.30600 334.1682       135.5108 244.6640       319.3925 353.8168       149.6477 97.28011 40.78208 111.1233 28.14274 -13.84315      49.54989 
1 1 1 -15 -11 19 o 130.6831 17.97934 443.2415       109.3575 934.0187       367.7358 395.6288       114.5394 159.9229 45.77358 122.0457 20.34605 37.87724       50.09174 
1 1 1 -15 -11 20 o 159.4001 17.60858 661.1749       131.9562 450.7693       226.0777 769.8934       162.5103 115.6998 36.53855 169.8436 20.42277 -54.14378      41.85875 
1 1 1 -15 -11 21 o 109.0935 19.44707 322.2679       97.70878 332.8161       219.4974 319.6613       109.1161 98.35858 35.90113 106.8931 22.08268 -8.534508      42.14897 
1 1 1 -15 -10 1  o 242.1686 7.791408 1409.599       90.08999 1477.016       120.2566 1323.367       136.0049 247.4231 10.18803 233.6985 12.21520 13.72462       15.90620 
1 1 1 -15 -10 2  o 242.2824 8.836556 1413.262       102.1846 1348.310       162.9379 1455.369       131.1895 235.2049 14.56138 245.3417 11.21422 -10.13680      18.37913 
1 1 1 -15 -10 3  o 295.1831 10.83744 2104.261       152.6824 2056.765       192.6286 2184.531       250.4185 290.8788 13.89176 298.3005 17.63790 -7.421692      22.45165 
1 1 1 -15 -10 4  o 233.2899 11.03877 1316.264       122.7697 1327.303       174.2831 1305.391       172.9696 232.8829 15.74600 230.9394 15.76065 1.943542       22.27856 
1 1 1 -15 -10 5  o 105.6352 17.09448 279.5026       83.38469 244.0071       167.9272 291.1186       96.06458 97.56666 31.56352 107.1985 19.46070 -9.631798      37.08065 
1 1 1 -15 -10 6  o 46.65081 19.68953 8.415248       75.24492 24.85639       168.4764 4.318588       84.09848 68.99603 29.30650 48.48832 20.65455 20.50770       35.85361 
1 1 1 -15 -10 7  o 340.1366 10.51035 2794.858       170.7094 2770.499       203.5293 2852.651       313.5029 337.8687 12.62219 339.4113 19.40080 -1.542633      23.14543 
1 1 1 -15 -10 8  f 197.0635 10.87544 940.9377       102.0644 791.0320       165.3722 1033.171       129.7172 177.8290 19.78609 205.8708 13.24972 -28.04179      23.81269 
1 1 1 -15 -10 9  o 324.0829 12.14757 2547.859       187.8817 2472.522       242.8907 2660.085       296.4521 317.5262 16.05218 327.7403 19.00126 -10.21405      24.87409 
1 1 1 -15 -10 10 o 155.2997 14.36740 592.2223       105.4646 321.7691       202.5437 692.8268       123.5325 109.5455 34.58318 167.6980 15.58637 -58.15254      37.93324 
1 1 1 -15 -10 11 o 297.6247 13.58837 2159.633       192.8401 1939.812       283.1627 2349.767       263.3484 277.9970 21.47159 308.2708 17.94618 -30.27383      27.98382 
1 1 1 -15 -10 12 o 63.32256 20.15810 98.99607       68.69103 305.8471       225.3358 77.80491       72.12383 106.9855 36.61576 58.77441 20.68160 48.21107       42.05286 
1 1 1 -15 -10 13 o 79.16727 19.14971 162.1981       71.68167 53.05729       150.4201 194.2655       81.53510 68.01946 28.20924 86.49426 20.10100 -18.47480      34.63829 
1 1 1 -15 -10 14 o 136.7950 14.37693 463.5520       92.62162 322.6988       174.4722 518.8241       109.2939 107.9116 31.72037 144.1742 16.13249 -36.26266      35.58707 
1 1 1 -15 -10 15 o 104.5292 18.46023 280.0464       88.88123 757.9374       280.9666 226.9052       93.69276 161.3298 37.18966 92.89216 21.51958 68.43761       42.96700 
1 1 1 -15 -10 16 f 197.6838 13.16985 961.3775       123.7589 1151.611       218.3685 871.3618       150.2122 211.4001 21.92404 186.3851 17.04571 25.01494       27.77084 
1 1 1 -15 -10 17 o 192.2692 14.07718 917.3663       128.5031 691.0284       224.2427 1028.036       156.8032 156.0507 31.14867 202.3264 16.34956 -46.27568      35.17879 
1 1 1 -15 -10 18 o 331.3599 11.87641 2699.700       187.8411 2736.407       381.0590 2687.917       215.8943 318.5966 25.22310 329.0842 13.75257 -10.48758      28.72870 
1 1 1 -15 -10 19 o 201.9454 15.85934 1032.450       151.8908 1130.311       405.5910 1016.486       163.8114 175.6707 47.26351 199.2791 17.36720 -23.60841      50.35334 
1 1 1 -15 -10 20 o 57.95907 21.35677 77.86661       77.96570 329.5474       413.8298 68.60452       79.38734 102.1072 44.65171 56.34114 21.38743 45.76605       49.50957 
1 1 1 -15 -10 21 o 51.30531 23.68197 -57.34039      135.5945 64.42681       365.7037 -76.74857      146.0012 82.95077 38.49921 51.79119 24.13474 31.15958       45.43869 
1 1 1 -15 -9  1  o 119.9124 9.859756 348.4425       56.02586 376.7287       70.77834 300.9797       91.68316 124.3153 12.06013 109.5544 18.13873 14.76087       21.78211 
1 1 1 -15 -9  2  o 97.51901 12.91150 233.9988       58.71929 101.6640       89.47369 334.1142       77.82313 66.68095 23.06314 116.5150 14.26812 -49.83401      27.11987 
1 1 1 -15 -9  3  o 177.5923 11.01948 763.7318       93.09984 779.5178       151.0444 754.0598       118.2290 177.5490 18.04460 175.7195 14.19399 1.829483       22.95816 
1 1 1 -15 -9  4  o 279.2054 11.28213 1884.870       150.2892 1910.066       203.1777 1854.429       223.3309 279.7666 15.24813 274.9378 17.07476 4.828735       22.89220 
1 1 1 -15 -9  5  o 212.0732 11.90254 1090.668       120.1953 1012.650       188.6685 1143.962       155.9349 201.7787 19.81279 216.2587 15.17848 -14.47998      24.95863 
1 1 1 -15 -9  6  o 190.8666 12.00156 884.6929       108.9612 753.3755       176.6560 965.3284       138.4301 172.8997 21.85871 198.6567 14.67904 -25.75693      26.33016 
1 1 1 -15 -9  7  o 227.3773 10.24858 1249.667       111.1223 1136.724       193.6692 1305.099       135.6782 213.8978 19.14060 231.8225 12.28569 -17.92470      22.74425 
1 1 1 -15 -9  8  o 124.7192 13.61118 382.2691       79.84338 447.3484       123.6829 335.7711       104.5455 133.0891 20.06109 115.0671 19.71282 18.02209       28.12548 
1 1 1 -15 -9  9  o 185.7313 11.80241 838.4573       104.2585 707.2233       162.4791 930.3135       135.9342 167.5947 20.71894 194.8176 14.70312 -27.22293      25.40583 
1 1 1 -15 -9  10 o 117.8355 17.92513 348.8333       97.80396 191.5667       202.7564 396.5230       111.6526 92.03806 34.34204 125.3550 19.24422 -33.31696      39.36643 
1 1 1 -15 -9  11 o 48.54353 18.16245 44.95858       56.78948 242.2502       130.4579 -1.167550      63.07971 95.86221 27.20661 41.38948 17.76536 54.47274       32.49319 
1 1 1 -15 -9  12 o 202.7353 13.18831 1004.096       127.1345 1233.229       251.2962 925.2747       147.3881 219.4266 24.36483 193.5694 16.07120 25.85715       29.18781 
1 1 1 -15 -9  13 o 101.3124 20.55359 265.5085       96.14606 244.7737       156.7405 278.0170       121.7400 95.82397 30.44390 102.2721 25.09058 -6.448090      39.45083 
1 1 1 -15 -9  14 o 178.7031 13.75389 785.5999       116.6042 719.6437       195.6193 821.9501       145.2238 165.4633 25.55072 181.5215 16.92928 -16.05815      30.65028 
1 1 1 -15 -9  15 o 129.2073 20.92823 431.1832       124.8606 377.0934       284.4180 444.0963       138.9679 114.4600 40.98981 130.1255 23.18836 -15.66551      47.09421 
1 1 1 -15 -9  16 o 118.7061 16.91138 356.4971       93.26441 441.5592       221.8890 338.2446       102.7848 123.0134 35.66350 114.5871 19.45738 8.426262       40.62604 
1 1 1 -15 -9  17 o 70.88017 21.75400 130.7685       80.76138 290.1127       220.5237 106.0868       86.79108 101.3888 36.11726 65.88110 22.71804 35.50767       42.66808 
1 1 1 -15 -9  18 o 111.5403 17.24292 319.9281       88.98708 124.0021       232.9464 353.4046       96.28973 82.71138 34.76124 117.0993 17.75578 -34.38791      39.03346 
1 1 1 -15 -9  19 o 116.2541 22.10856 365.0239       118.3895 179.6620       247.1660 420.2134       134.8673 87.42255 36.19959 123.9858 23.61448 -36.56327      43.22099 
1 1 1 -15 -9  20 f 146.6111 15.62432 547.7761       107.8303 2377.493       360.6751 368.1802       112.9985 292.6064 26.05465 117.0155 20.96878 175.5910       33.44450 
1 1 1 -15 -9  21 o 62.13926 25.68308 67.25013       124.1028 -2.621190      368.4571 76.19106       131.8041 80.63980 37.82532 64.27332 26.50700 16.36648       46.18848 
1 1 1 -15 -9  22 o 80.06856 29.53508 191.7344       149.1778 -112.1652      395.2754 242.2088       161.0906 75.79125 36.54330 87.36350 30.89399 -11.57225      47.85239 
1 1 1 -15 -8  1  o 119.4252 10.21181 345.9789       57.74621 371.3051       77.20081 313.8104       87.00665 123.1444 13.32492 112.2883 16.71613 10.85608       21.37715 
1 1 1 -15 -8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -8  4  o 384.6435 14.57755 3600.393       267.5869 3795.481       383.7683 3415.805       373.2987 391.5463 20.57331 371.0440 21.13109 20.50223       29.49210 
1 1 1 -15 -8  5  o 187.5782 10.16953 850.4905       90.85828 853.7540       149.2700 848.5699       114.5158 186.1331 16.96025 186.7392 12.90628 -0.6061401     21.31249 
1 1 1 -15 -8  6  o 70.43324 18.68169 126.3716       63.93026 125.2196       97.50565 127.2402       84.66925 72.15015 24.08844 71.50199 22.32997 0.6481628      32.84632 
1 1 1 -15 -8  7  o 319.0578 9.750873 2455.879       148.5632 2397.279       292.5458 2476.244       172.4555 310.8376 19.78850 319.8810 11.29438 -9.043488      22.78481 
1 1 1 -15 -8  8  o 140.2483 11.43322 478.7995       75.99646 656.2507       131.1251 389.0436       93.25624 162.7184 17.11124 125.2028 15.94051 37.51558       23.38577 
1 1 1 -15 -8  9  o 83.79739 21.47764 181.5918       86.43431 87.03150       195.7411 204.4960       96.33520 79.31568 32.46198 88.72104 22.64001 -9.405357      39.57714 
1 1 1 -15 -8  10 o 321.4561 10.16995 2496.871       156.0998 2459.466       308.3667 2509.759       181.0047 313.8476 20.66635 321.6955 11.78885 -7.847870      23.79233 
1 1 1 -15 -8  11 o 147.7503 15.41525 539.1877       107.2899 593.9450       234.0378 524.6180       120.7226 147.1407 33.95844 144.9554 17.79267 2.185364       38.33738 
1 1 1 -15 -8  12 o 105.3625 15.38584 277.0335       75.21690 73.04530       150.7164 344.6904       86.79882 70.88773 28.68039 117.6109 15.83909 -46.72322      32.76342 
1 1 1 -15 -8  13 o 109.0495 21.80825 308.6932       109.7227 53.41694       254.2454 367.1189       121.6326 82.91311 35.62841 119.0168 22.19253 -36.10371      41.97490 
1 1 1 -15 -8  14 o 146.4191 18.08418 540.3531       123.9040 259.2119       304.2473 596.2512       135.6636 104.2381 41.22517 153.5605 18.87552 -49.32240      45.34093 
1 1 1 -15 -8  15 o 180.7337 14.52730 807.5943       124.4691 971.9948       229.5023 739.0878       148.1499 192.1408 25.62188 171.1519 18.39387 20.98897       31.54069 
1 1 1 -15 -8  16 o 76.86138 24.98771 152.4518       105.1708 184.9598       209.8805 141.5521       121.5299 89.25169 34.54721 75.98788 26.83711 13.26380       43.74632 
1 1 1 -15 -8  17 o 109.3286 21.44624 314.7088       108.0905 395.6383       225.2573 290.4996       123.2012 115.4348 36.47444 103.3902 25.16535 12.04455       44.31343 
1 1 1 -15 -8  18 o 52.53883 20.10662 53.70987       70.52596 -198.1747      324.4131 66.20465       72.25402 73.04624 34.63421 55.39677 20.53315 17.64947       40.26337 
1 1 1 -15 -8  19 o 180.5722 16.06354 827.2776       137.2298 1319.470       348.1358 736.7307       149.3201 206.6419 36.57714 168.5238 18.85598 38.11812       41.15137 
1 1 1 -15 -8  20 o 210.3943 14.97899 1117.762       149.6839 1213.324       373.8074 1099.513       163.3520 187.5941 42.64830 207.4062 16.61262 -19.81213      45.76961 
1 1 1 -15 -8  21 o 125.3494 17.84445 413.0990       103.9218 1013.516       344.3377 352.9299       109.0046 166.1744 43.01195 113.9262 20.77839 52.24822       47.76787 
1 1 1 -15 -8  22 o 77.14325 28.48360 172.6322       138.8027 485.6374       311.2937 94.95823       155.0717 108.2502 42.02633 68.08478 28.47095 40.16537       50.76226 
1 1 1 -15 -7  1  o 139.8567 8.143577 471.4336       54.21559 429.7232       73.88037 520.1044       79.80699 132.8968 11.74892 146.3515 11.49833 -13.45471      16.43924 
1 1 1 -15 -7  2  o 279.1924 8.017774 1873.908       106.9093 1757.207       165.3652 1957.713       140.1336 269.1408 12.88903 284.8510 10.30701 -15.71024      16.50338 
1 1 1 -15 -7  3  o 170.4823 9.024936 701.0861       73.29627 710.8837       126.5998 696.1461       89.89484 170.1313 15.74322 169.4764 11.15679 0.6548920      19.29567 
1 1 1 -15 -7  4  o 465.0560 17.65387 5305.030       391.7999 4996.846       557.3632 5606.077       550.8712 444.4522 26.34864 472.6201 24.46301 -28.16794      35.95400 
1 1 1 -15 -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -7  6  o 66.74216 18.62416 112.8711       61.67387 117.5948       97.44519 109.7145       79.65866 70.60901 24.08084 67.13371 21.74079 3.475296       32.44301 
1 1 1 -15 -7  7  o 224.9383 10.11671 1222.859       108.5171 1047.082       190.5405 1307.244       132.0199 204.9578 19.68713 232.0948 11.93788 -27.13707      23.02381 
1 1 1 -15 -7  8  f 229.3215 10.20946 1271.629       111.6518 1231.695       200.2504 1289.644       134.4983 222.5855 18.99924 230.3665 12.25617 -7.781021      22.60940 
1 1 1 -15 -7  9  o 104.9565 18.41006 278.9940       89.01202 372.0347       207.5470 258.0233       98.53403 116.6495 34.67638 100.0283 21.26003 16.62125       40.67481 
1 1 1 -15 -7  10 o 299.1682 10.16225 2163.381       145.1385 1625.686       278.6413 2363.583       170.0250 253.3030 23.26872 312.2757 11.40767 -58.97269      25.91463 
1 1 1 -15 -7  11 o 154.6997 14.74348 589.2238       107.7259 618.3314       236.9422 581.6393       120.9494 150.1609 33.82023 153.0340 16.80761 -2.873093      37.76643 
1 1 1 -15 -7  12 f 101.4356 16.26538 258.4250       76.21436 135.8052       181.3763 284.7183       83.98911 82.62051 32.07848 106.3281 17.10200 -23.70763      36.35254 
1 1 1 -15 -7  13 o 122.4108 18.34407 378.9886       104.0528 112.6687       189.7203 493.5618       124.4382 80.48405 32.31351 139.6947 19.13457 -59.21067      37.55390 
1 1 1 -15 -7  14 o 98.15624 24.62000 256.9763       115.3202 -39.07100      323.1621 300.1765       123.4477 83.98991 37.91042 106.1025 24.78586 -22.11259      45.29392 
1 1 1 -15 -7  15 f 214.3186 13.40845 1128.776       136.6990 1242.350       328.6125 1105.009       150.3228 210.8370 33.73788 211.3335 14.97511 -0.4965668     36.91203 
1 1 1 -15 -7  16 o 83.21140 23.20161 184.1049       95.75637 434.4400       183.4111 90.30186       112.2725 124.2228 30.98719 66.43312 25.38249 57.78967       40.05592 
1 1 1 -15 -7  17 o 74.45046 24.19686 143.5141       98.62287 92.20486       186.7286 163.3644       116.1439 76.20237 31.50041 79.13066 26.28677 -2.928291      41.02768 
1 1 1 -15 -7  18 o 65.48923 24.40431 97.08595       102.3244 130.5200       198.2380 84.94276       119.4700 80.36766 32.75337 65.80758 25.89283 14.56008       41.75191 
1 1 1 -15 -7  19 o 123.2856 15.53054 386.9054       89.51237 371.3611       174.6302 392.4449       104.2493 111.2696 31.44282 122.7768 18.31998 -11.50725      36.39055 
1 1 1 -15 -7  20 o 204.9012 14.13959 1054.824       137.6634 1199.559       223.4220 966.2469       174.7836 211.0922 22.48396 192.1412 19.28764 18.95102       29.62332 
1 1 1 -15 -7  21 o 202.4590 15.42393 1046.202       148.1698 1064.457       234.0475 1033.992       191.4116 193.7162 25.92141 196.4454 20.69101 -2.729187      33.16681 
1 1 1 -15 -7  22 o 54.84687 22.07443 57.02692       88.76836 182.8351       190.2670 22.02387       100.3603 80.07632 32.28640 51.90320 22.34493 28.17313       39.26459 
1 1 1 -15 -6  1  o 68.89571 18.75105 120.3192       63.40133 120.3192       63.40133 0.000000       0.000000 68.89571 18.75105 ?        ?        0.000000       18.75105 
1 1 1 -15 -6  2  f 138.5287 9.560188 464.1306       62.92783 574.3394       113.8751 415.6808       75.50338 152.7604 15.82103 130.5598 12.23887 22.20058       20.00238 
1 1 1 -15 -6  3  o 172.6152 8.883608 718.5928       73.06570 701.5936       132.5786 726.0082       87.56351 168.7001 16.65508 173.1792 10.62712 -4.479050      19.75670 
1 1 1 -15 -6  4  o 137.2416 9.228613 455.3643       60.20030 495.2040       104.9721 435.8402       73.48546 141.6881 15.76299 133.8129 11.60120 7.875183       19.57191 
1 1 1 -15 -6  5  o 207.7619 8.790668 1040.288       87.11915 1313.008       160.6986 926.7728       103.6767 231.8940 14.56848 195.5878 11.13342 36.30623       18.33559 
1 1 1 -15 -6  6  o 326.5883 13.30142 2593.051       207.2514 2687.572       302.1412 2509.057       284.8205 329.5081 19.26344 318.6126 18.78151 10.89548       26.90400 
1 1 1 -15 -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -6  8  o 187.3372 11.37100 852.1829       101.3633 1478.393       216.3682 676.1048       114.7324 244.0494 18.68629 165.9082 14.61393 78.14119       23.72223 
1 1 1 -15 -6  9  o 122.8628 14.26243 372.6114       82.22156 388.1584       141.6320 364.7085       100.9796 121.7755 25.16000 120.4035 18.10199 1.371902       30.99529 
1 1 1 -15 -6  10 o 89.77015 16.96155 204.1370       70.12878 58.82423       262.5279 215.3030       72.77331 85.11781 36.38200 92.20315 17.13961 -7.085342      40.21711 
1 1 1 -15 -6  11 o 141.0312 14.44297 490.1591       96.00830 624.4954       181.3068 437.8117       113.1789 155.0759 25.32814 131.9531 18.44376 23.12280       31.33188 
1 1 1 -15 -6  12 o 66.41193 23.21248 102.1587       90.75566 -108.9697      178.1424 176.1637       105.4689 58.94839 27.18649 82.47263 24.76773 -23.52424      36.77697 
1 1 1 -15 -6  13 o 224.3782 11.47159 1224.870       122.6503 1320.972       214.1108 1177.934       149.6337 229.2283 19.72894 218.9389 14.37497 10.28934       24.41047 
1 1 1 -15 -6  14 o 46.06696 20.68845 -34.70354      94.87058 11.30281       270.3738 -41.16323      101.3122 80.85521 35.69871 47.08239 21.24132 33.77282       41.54024 
1 1 1 -15 -6  15 f 157.0068 14.08752 609.9084       104.6225 939.3391       296.7224 563.1381       111.8029 181.1157 35.53759 150.1622 15.81039 30.95343       38.89587 
1 1 1 -15 -6  16 o 206.7602 13.91769 1055.592       136.7745 1134.704       295.4161 1034.007       154.3096 202.0267 31.62200 203.6013 15.98072 -1.574615      35.43069 
1 1 1 -15 -6  17 o 63.03940 24.32336 78.72355       103.7951 203.3384       251.2588 53.08200       113.9747 93.12023 37.25496 60.87807 24.82587 32.24216       44.76891 
1 1 1 -15 -6  18 o 131.5070 21.27417 456.4900       129.1900 310.5037       273.5962 498.3799       146.5577 102.8179 39.53769 136.2858 23.33162 -33.46784      45.90854 
1 1 1 -15 -6  19 o 69.33208 27.50735 101.1985       135.8579 281.5896       288.2679 49.69019       154.0378 98.02289 39.66256 65.56233 27.94134 32.46056       48.51636 
1 1 1 -15 -6  20 o 166.9656 17.31879 720.1328       136.2405 607.2611       407.2304 734.3582       144.5712 121.0831 47.75460 167.9045 18.30602 -46.82149      51.14306 
1 1 1 -15 -6  21 o 126.2161 26.99930 465.7296       157.9924 372.4576       361.4596 487.7580       175.6613 101.4291 42.99805 126.9646 29.50277 -25.53548      52.14639 
1 1 1 -15 -6  22 o 64.44016 24.14163 106.5185       100.4026 -397.3958      316.7965 162.7861       105.8598 60.26420 29.80572 74.94518 25.10054 -14.68097      38.96688 
1 1 1 -15 -5  1  o 185.5214 9.170831 830.1686       81.08918 830.1686       81.08918 0.000000       0.000000 185.5214 9.170831 ?        ?        0.000000       9.170831 
1 1 1 -15 -5  2  o 215.9795 6.642610 1120.079       68.50829 1192.932       91.36450 1026.505       103.5455 222.5675 8.602525 206.0420 10.54665 16.52551       13.61012 
1 1 1 -15 -5  3  o 209.3086 8.223425 1054.665       82.13007 1148.341       144.8253 1010.257       99.71470 216.9983 14.03510 204.4514 10.23396 12.54694       17.37003 
1 1 1 -15 -5  4  o 267.0048 8.115244 1715.141       103.4724 1737.292       175.7125 1703.382       128.0242 267.1219 13.80578 265.6222 10.09977 1.499695       17.10570 
1 1 1 -15 -5  5  f 193.5861 9.063123 904.1343       83.64755 700.0197       156.1376 986.2979       99.06274 167.2233 19.92123 201.9460 10.29442 -34.72273      22.42389 
1 1 1 -15 -5  6  o 116.7518 11.89672 333.2690       65.47799 197.9431       146.7471 366.9084       73.16506 88.79619 29.54917 122.3792 12.68904 -33.58306      32.15844 
1 1 1 -15 -5  7  o 37.24483 15.18897 13.52401       42.66565 -21.08106      89.65272 23.65608       48.51127 46.57651 20.56074 41.46514 16.44168 5.111370       26.32627 
1 1 1 -15 -5  8  o 349.6631 12.95391 2974.275       216.1760 3067.625       295.8097 2867.276       316.6961 352.5475 17.60608 339.5430 19.59240 13.00455       26.34077 
1 1 1 -15 -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -5  10 o 305.5486 12.82577 2272.977       186.9413 2317.057       269.6714 2232.198       259.3788 305.5100 18.55037 300.0732 18.16510 5.436859       25.96319 
1 1 1 -15 -5  11 o 179.2935 13.15215 786.2213       111.9534 559.8503       251.8241 841.9826       124.9837 140.7512 36.95776 185.2266 14.22254 -44.47534      39.59996 
1 1 1 -15 -5  12 o 302.1015 10.40562 2210.081       150.0653 2344.946       295.9134 2163.389       174.1156 305.7413 20.36029 298.1545 12.24087 7.586792       23.75669 
1 1 1 -15 -5  13 o 63.51314 21.45497 96.93813       77.33485 96.42275       124.5587 97.26142       98.65236 69.64354 26.70378 66.21632 24.08361 3.427223       35.95987 
1 1 1 -15 -5  14 o 52.47770 17.96131 64.12461       54.22148 133.5813       131.8420 49.98559       59.48484 75.86462 27.80283 49.98311 18.61084 25.88151       33.45685 
1 1 1 -15 -5  15 o 120.8558 13.99321 363.2915       79.36028 292.9455       157.0800 387.4013       91.95975 102.6301 30.07888 124.1934 15.84844 -21.56335      33.99870 
1 1 1 -15 -5  16 o 58.25278 19.41473 82.76180       63.34446 75.97780       152.2919 84.18100       69.65586 69.99505 28.63870 59.32270 20.35618 10.67234       35.13615 
1 1 1 -15 -5  17 o 197.7628 14.98872 974.6028       140.6603 769.7872       288.4028 1038.529       161.1230 158.5977 38.44130 203.1766 16.73554 -44.57889      41.92626 
1 1 1 -15 -5  18 o 158.1735 17.11734 638.0227       127.3828 678.7434       454.5458 634.5521       132.7002 131.3918 50.84594 157.2455 17.97416 -25.85367      53.92940 
1 1 1 -15 -5  19 f 298.5189 13.76842 2225.244       195.9716 2112.343       500.0315 2245.732       213.0126 248.7858 43.63012 298.7462 14.96163 -49.96034      46.12415 
1 1 1 -15 -5  20 o 201.9309 14.07485 1026.803       135.0292 1308.256       323.8841 967.5923       148.5552 205.4248 34.17875 194.4754 16.12249 10.94946       37.79050 
1 1 1 -15 -5  21 o 52.71087 22.08409 34.71784       93.57034 -46.24740      303.5613 43.21825       98.35967 73.39530 34.39706 54.79221 22.77487 18.60309       41.25352 
1 1 1 -15 -5  22 o 62.16071 25.71743 76.08796       124.6035 70.22845       178.9363 81.60419       173.6159 67.39995 29.42007 67.93800 29.31985 -0.5380554     41.53546 
1 1 1 -15 -4  1  o 58.63194 18.68974 83.30798       59.03236 83.30798       59.03236 0.000000       0.000000 58.63194 18.68974 ?        ?        0.000000       18.68974 
1 1 1 -15 -4  2  o 128.0943 11.20110 399.2694       67.90657 399.2694       67.90657 0.000000       0.000000 128.0943 11.20110 ?        ?        0.000000       11.20110 
1 1 1 -15 -4  3  o 167.5755 8.861454 677.6163       70.74200 676.4323       126.4440 678.1558       85.34971 165.6471 16.17211 167.2794 10.72869 -1.632355      19.40727 
1 1 1 -15 -4  4  o 118.1602 10.08905 339.0971       56.44935 415.4103       121.4118 318.0508       63.75997 128.0676 20.52238 114.0560 11.86616 14.01157       23.70599 
1 1 1 -15 -4  5  o 305.4731 7.936691 2244.910       115.8118 2332.689       191.9130 2194.635       145.2380 309.7515 12.98815 301.4388 10.09219 8.312653       16.44823 
1 1 1 -15 -4  6  o 203.4818 8.780562 998.7826       85.21831 955.2971       160.0029 1016.003       100.6875 196.4897 17.20599 204.8829 10.31241 -8.393234      20.05971 
1 1 1 -15 -4  7  o 376.3791 7.943919 3407.349       142.9449 3846.066       236.2554 3153.998       179.5357 397.9157 12.43414 361.1739 10.40829 36.74179       16.21543 
1 1 1 -15 -4  8  f 64.70841 16.85398 106.7391       52.64971 -117.4774      164.7749 132.2336       55.56242 55.76670 25.86868 72.01476 16.49361 -16.24806      30.67944 
1 1 1 -15 -4  9  o 123.8446 11.38625 374.5623       66.66250 370.7458       129.4819 375.9388       77.75992 119.3610 23.52700 123.5840 13.37372 -4.223022      27.06245 
1 1 1 -15 -4  10 o 137.0541 12.81004 460.4889       82.96412 558.9375       137.4219 404.0283       104.0697 148.7414 19.81750 126.8674 17.63400 21.87394       26.52717 
1 1 1 -15 -4  11 o 176.3710 11.63374 757.6277       97.54897 734.9408       164.2784 769.9840       121.2375 170.4110 20.58020 176.9287 14.45876 -6.517670      25.15155 
1 1 1 -15 -4  12 o 169.2815 11.99390 699.7219       96.43996 534.8201       165.0329 785.2351       118.8432 142.7934 25.08947 178.7070 14.02214 -35.91367      28.74199 
1 1 1 -15 -4  13 o 255.3949 10.87875 1585.812       132.5268 1421.745       286.3772 1630.523       149.4980 232.6906 26.19722 258.4511 12.13284 -25.76047      28.87040 
1 1 1 -15 -4  14 o 130.7741 14.46503 425.4182       88.92772 321.1437       266.1404 438.5234       94.35062 107.4376 39.48061 132.5461 15.16161 -25.10853      42.29176 
1 1 1 -15 -4  15 o 160.1704 16.81788 645.4216       126.8653 900.3038       406.5429 617.9231       133.5336 162.7301 48.57040 156.0114 18.24730 6.718765       51.88494 
1 1 1 -15 -4  16 o 206.1181 15.47069 1059.517       151.3399 1123.432       430.0210 1050.481       161.6838 181.5311 48.58952 204.5528 16.67765 -23.02174      51.37202 
1 1 1 -15 -4  17 o 210.8833 14.72365 1108.214       147.5127 802.7561       298.8965 1206.569       169.6071 160.2828 39.30994 219.0863 16.30974 -58.80356      42.55913 
1 1 1 -15 -4  18 o 114.4375 16.88385 337.1775       89.60234 566.8647       170.3991 249.3954       105.3421 143.0094 25.87492 95.21266 23.32822 47.79675       34.83844 
1 1 1 -15 -4  19 o 191.5714 14.96252 928.5797       135.9526 1370.934       284.8784 798.1226       154.7064 219.4101 27.77949 174.7724 18.81098 44.63768       33.54926 
1 1 1 -15 -4  20 o 126.0890 21.38631 432.6472       124.3183 537.9675       181.7109 339.9720       170.4539 134.3346 29.13382 104.2268 31.52783 30.10778       42.92766 
1 1 1 -15 -4  21 o 93.15528 22.03745 244.7627       96.60210 193.0725       178.3225 266.2329       114.9266 81.42020 31.75219 95.34544 24.93401 -13.92524      40.37210 
1 1 1 -15 -4  22 o 130.3698 26.82208 515.7470       161.5968 417.8026       308.8406 552.6708       189.6259 99.20274 40.70810 130.3582 30.90043 -31.15546      51.10759 
1 1 1 -15 -3  1  o 108.1700 11.24553 285.6930       57.30823 285.6930       57.30823 0.000000       0.000000 108.1700 11.24553 ?        ?        0.000000       11.24553 
1 1 1 -15 -3  2  o 166.4303 9.002638 668.7383       71.36591 668.7383       71.36591 0.000000       0.000000 166.4303 9.002638 ?        ?        0.000000       9.002638 
1 1 1 -15 -3  3  o 193.3573 6.666355 898.3524       61.53289 876.9871       82.70686 924.8397       92.08847 190.6155 9.101891 195.5929 9.879903 -4.977386      13.43342 
1 1 1 -15 -3  4  o 70.50135 11.52991 123.2914       37.52051 242.4623       114.5679 108.9743       39.71044 96.20863 24.76299 65.88379 13.06876 30.32484       27.99997 
1 1 1 -15 -3  5  o 317.4127 7.732862 2422.289       117.3473 2745.117       197.2460 2245.429       145.9945 336.2194 12.29161 304.8493 10.03078 31.37006       15.86506 
1 1 1 -15 -3  6  o 292.5467 8.031469 2060.553       112.2244 2396.191       200.0881 1906.507       135.5531 313.5413 13.37881 280.7996 10.11380 32.74170       16.77145 
1 1 1 -15 -3  7  o 395.5407 7.911195 3764.009       149.6035 4313.823       250.4039 3458.820       186.5596 421.2856 12.44608 378.1786 10.32807 43.10699       16.17324 
1 1 1 -15 -3  8  o 169.8814 9.763296 699.0472       78.96191 829.0710       181.7188 668.7823       87.67134 180.8204 21.43713 165.8255 11.12287 14.99490       24.15096 
1 1 1 -15 -3  9  o 126.1647 11.53493 388.9810       68.80734 469.5298       188.4225 376.5867       73.91180 131.4570 30.56182 123.8454 12.66117 7.611694       33.08067 
1 1 1 -15 -3  10 o 194.9249 10.41868 921.5540       96.74034 984.6656       219.2507 906.2966       107.8015 195.7605 23.92295 192.9247 11.74331 2.835815       26.64982 
1 1 1 -15 -3  11 o 146.6155 14.09383 530.0183       97.57547 460.1413       212.3810 548.7145       109.8562 128.1054 34.08329 148.6702 15.69230 -20.56487      37.52225 
1 1 1 -15 -3  12 f 127.5185 15.61679 405.9066       93.22311 162.6478       283.0409 435.5063       98.73202 94.19696 38.84536 132.0238 15.96612 -37.82683      41.99856 
1 1 1 -15 -3  13 o 123.6115 14.36014 380.2908       83.28677 -69.91956      210.6044 463.7536       90.67883 66.47114 30.24129 136.7520 14.07014 -70.28083      33.35423 
1 1 1 -15 -3  14 o 55.48927 21.31358 58.09494       79.44327 -38.57600      125.7183 122.3589       102.5025 52.93787 23.79146 70.75459 24.67313 -17.81672      34.27531 
1 1 1 -15 -3  15 o 105.4928 22.86478 297.2397       111.9840 521.7031       228.5550 226.3309       128.4601 132.5905 35.39399 90.88981 27.34307 41.70069       44.72559 
1 1 1 -15 -3  16 o 276.6148 11.41538 1872.219       150.6398 1371.281       260.7682 2123.114       184.5476 227.4924 24.35470 293.4774 13.18670 -65.98500      27.69550 
1 1 1 -15 -3  17 o 49.51295 21.61383 -2.811008      96.59093 59.77119       139.7148 -60.10795      133.6850 65.24606 27.13385 52.07219 23.84394 13.17387       36.12173 
1 1 1 -15 -3  18 o 118.1907 26.13166 395.4737       143.7309 376.8278       385.1357 398.4908       154.9237 106.3843 44.70258 117.3183 28.00962 -10.93406      52.75282 
1 1 1 -15 -3  19 o 153.1651 17.00445 607.3563       122.4218 636.5122       310.6985 601.9979       133.1972 129.7669 42.99030 151.2129 18.83153 -21.44603      46.93391 
1 1 1 -15 -3  20 o 67.95849 24.29540 121.9756       99.87564 775.5018       522.7806 97.21904       101.7498 120.9669 51.51153 63.73197 24.20839 57.23494       56.91647 
1 1 1 -15 -3  21 f 86.60354 30.14890 237.8874       153.0136 533.8445       327.1624 155.0230       173.1143 110.3919 43.02037 75.79398 30.71148 34.59792       52.85781 
1 1 1 -15 -3  22 o 79.00175 25.73799 191.6257       111.5501 265.4872       404.9748 185.5615       116.0390 86.95895 40.41218 77.66981 26.28085 9.289139       48.20609 
1 1 1 -15 -2  1  o 306.9553 7.483545 2263.946       109.8224 2263.946       109.8224 0.000000       0.000000 306.9553 7.483545 ?        ?        0.000000       7.483545 
1 1 1 -15 -2  2  o 333.5968 10.54448 2690.848       167.9614 2690.848       167.9614 0.000000       0.000000 333.5968 10.54448 ?        ?        0.000000       10.54448 
1 1 1 -15 -2  3  o 229.1449 8.366242 1265.334       91.49964 1265.334       91.49964 0.000000       0.000000 229.1449 8.366242 ?        ?        0.000000       8.366242 
1 1 1 -15 -2  4  o 148.4932 9.143919 533.4625       64.60049 544.3854       141.7007 530.5966       72.58202 146.5059 20.81574 147.8488 10.33346 -1.342850      23.23953 
1 1 1 -15 -2  5  o 192.5509 8.510967 894.5918       78.15529 891.1369       149.1183 895.9003       91.76958 189.7387 16.60588 192.3497 10.01375 -2.611023      19.39151 
1 1 1 -15 -2  6  o 240.0506 8.498635 1389.687       97.38108 1159.283       176.4700 1490.568       116.7698 216.2405 17.21161 248.2488 9.858239 -32.00827      19.83493 
1 1 1 -15 -2  7  o 154.6647 9.483468 579.4792       69.78685 592.2572       163.6374 576.6385       77.15513 151.5668 23.32952 154.0453 10.53980 -2.478531      25.59988 
1 1 1 -15 -2  8  o 74.31659 15.78078 140.4489       54.33464 133.0730       166.2299 141.3311       57.49264 80.32112 30.83598 74.39279 16.58794 5.928329       35.01453 
1 1 1 -15 -2  9  o 85.47760 13.16004 181.8898       52.05679 135.7590       114.5613 193.8935       58.43843 75.15498 26.09155 87.99441 14.38781 -12.83942      29.79561 
1 1 1 -15 -2  10 o 128.9962 12.28341 408.1690       74.84043 387.8818       203.2608 411.3507       80.49548 117.7345 34.13384 129.2474 13.21261 -11.51287      36.60180 
1 1 1 -15 -2  11 o 92.51481 16.36093 217.0651       69.71808 -18.86745      214.4017 244.9622       73.72473 71.27586 31.61345 98.45596 16.22741 -27.18010      35.53504 
1 1 1 -15 -2  12 o 105.2225 17.48666 282.2913       84.88149 47.32884       216.5048 324.9658       92.26827 76.39130 32.85260 112.9939 17.65751 -36.60255      37.29720 
1 1 1 -15 -2  13 o 95.83638 41.98889 116.4571       367.4778 116.4571       367.4778 0.000000       0.000000 95.83638 41.98889 ?        ?        0.000000       41.98889 
1 1 1 -15 -2  14 o 170.6909 16.06215 730.6356       129.5351 542.5667       394.9088 753.3100       137.1216 127.3333 47.84202 172.9702 16.79266 -45.63689      50.70358 
1 1 1 -15 -2  15 o 46.19148 21.13593 -54.88644      104.7927 -380.1481      238.1940 23.17883       116.6926 54.63223 26.78881 57.35257 24.37667 -2.720341      36.21965 
1 1 1 -15 -2  16 o 223.4524 15.75318 1253.151       167.2128 1048.365       439.3708 1287.835       180.8193 167.8640 50.58360 225.7547 16.87537 -57.89076      53.32428 
1 1 1 -15 -2  17 o 287.5679 15.39541 2082.047       210.8891 1967.618       366.2937 2138.784       257.9259 262.4106 29.71971 287.8974 18.84266 -25.48688      35.18959 
1 1 1 -15 -2  18 o 150.2281 21.65161 609.2473       151.0232 702.1098       421.8868 595.5986       161.7414 126.9117 49.01941 146.7853 23.86701 -19.87354      54.52097 
1 1 1 -15 -2  19 o 167.5431 20.70362 755.5342       162.3123 1112.948       441.8803 699.7886       174.5118 156.6948 51.23771 158.5045 23.76029 -1.809692      56.47879 
1 1 1 -15 -2  20 o 60.87184 23.13114 88.51012       92.91822 125.2110       232.9808 81.56831       101.3254 77.41522 33.68425 60.67636 23.85423 16.73886       41.27533 
1 1 1 -15 -2  21 o 54.06278 25.23044 -61.70462      160.5056 311.0140       412.5417 -128.1873      174.2334 90.54577 41.61815 52.11710 24.89883 38.42867       48.49765 
1 1 1 -15 -2  22 o 119.3754 21.51214 408.9779       118.2588 795.6502       270.4066 317.5310       131.5013 141.4642 38.81551 99.79569 26.93915 41.66853       47.24788 
1 1 1 -15 -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 -1  3  o 186.3300 10.88365 842.9880       96.53191 842.9880       96.53191 0.000000       0.000000 186.3300 10.88365 ?        ?        0.000000       10.88365 
1 1 1 -15 -1  4  o 244.2325 7.738584 1436.433       90.24535 1436.433       90.24535 0.000000       0.000000 244.2325 7.738584 ?        ?        0.000000       7.738584 
1 1 1 -15 -1  5  o 152.1331 8.671432 559.5664       62.80879 692.1923       135.0006 522.9282       70.95593 166.7004 17.18510 146.7352 10.17761 19.96518       19.97277 
1 1 1 -15 -1  6  f 197.7012 8.216218 942.9108       77.48935 1083.276       146.8252 888.7195       91.22942 209.8872 14.72552 191.5036 9.999000 18.38359       17.79947 
1 1 1 -15 -1  7  o 107.5214 10.48752 282.3000       53.22634 415.2927       139.4370 259.6158       57.58702 126.0511 24.01445 102.7402 11.94654 23.31085       26.82189 
1 1 1 -15 -1  8  o 22.94347 10.96745 -45.70092      33.90842 14.24963       144.5177 -49.19359      34.88218 62.76232 26.91363 23.00169 11.02960 39.76063       29.08601 
1 1 1 -15 -1  9  o 206.9251 9.233450 1035.944       91.11507 1022.030       190.2200 1040.087       103.7975 201.1540 20.04628 206.9702 10.52443 -5.816238      22.64105 
1 1 1 -15 -1  10 o 128.1105 11.12447 401.3918       67.46060 262.2343       129.4289 453.2975       79.04701 98.55972 26.77730 135.8706 12.30208 -37.31087      29.46804 
1 1 1 -15 -1  11 o 119.1398 11.64293 348.9322       65.47195 466.5498       133.4298 311.6326       75.13961 133.9874 21.56103 111.7033 14.40504 22.28413       25.93035 
1 1 1 -15 -1  12 o 109.6924 13.46319 299.5203       69.12564 231.3770       139.1137 321.8620       79.65549 92.00655 28.60546 113.2133 15.09229 -21.20678      32.34269 
1 1 1 -15 -1  13 o 125.4153 16.32031 397.7640       95.53712 649.3872       178.8385 297.2798       113.0145 155.8887 24.82794 105.3470 23.07865 50.54178       33.89765 
1 1 1 -15 -1  14 o 189.0360 13.09641 882.9883       117.6283 1115.599       217.5053 786.8335       139.8428 206.4917 22.39014 176.5668 16.76716 29.92482       27.97241 
1 1 1 -15 -1  15 o 144.2193 14.40582 520.5162       97.99989 533.8324       205.0055 516.5719       111.5739 135.0311 32.20865 142.6046 16.67992 -7.573547      36.27143 
1 1 1 -15 -1  16 o 116.8024 21.23723 364.8292       114.2255 424.0549       204.1950 337.8555       137.8035 117.0548 34.29113 109.1725 26.64086 7.882278       43.42369 
1 1 1 -15 -1  17 o 51.79897 22.94789 -8.207171      112.6465 -173.1658      202.1441 66.09072       135.6631 56.24207 26.85568 64.23130 26.72680 -7.989235      37.88864 
1 1 1 -15 -1  18 o 66.61897 23.31725 117.0233       91.59605 -255.0870      397.9764 137.8369       94.12287 73.60972 35.77013 70.90545 23.66677 2.704269       42.89077 
1 1 1 -15 -1  19 o 155.4250 22.29241 668.2986       160.9124 316.3293       431.7240 725.0829       173.4075 96.30116 43.60862 161.1182 23.17818 -64.81700      49.38562 
1 1 1 -15 -1  20 o 128.5641 24.94811 486.0768       147.8112 775.0496       252.6128 335.6298       182.2714 148.5886 35.95326 98.57210 32.93515 50.01648       48.75819 
1 1 1 -15 -1  21 o 65.25839 24.22691 118.7480       100.6617 244.6631       247.5394 93.80084       110.1833 83.28389 35.45480 61.88850 24.70061 21.39539       43.21068 
1 1 1 -15 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0   6  o 232.6577 7.713530 1304.232       85.67973 1321.816       142.5864 1294.295       107.1899 232.5989 12.87239 231.2341 9.717687 1.364807       16.12860 
1 1 1 -15 0   7  o 113.7781 9.557098 314.9483       51.50675 275.3244       114.8481 324.9244       57.62708 102.0197 23.95804 115.3586 10.56607 -13.33891      26.18453 
1 1 1 -15 0   8  o 137.0416 9.192325 455.6601       59.87796 659.4485       142.6261 412.0566       65.97357 161.6053 18.81139 129.9380 10.71517 31.66728       21.64909 
1 1 1 -15 0   9  o 39.86727 14.66644 31.71502       36.74414 -67.49407      90.05804 51.52848       40.24640 41.32058 19.15262 46.66530 15.47309 -5.344715      24.62193 
1 1 1 -15 0   10 o 99.25822 13.14258 245.3633       60.83599 222.0188       178.0698 248.4481       64.73081 91.66055 32.47495 99.63743 13.97224 -7.976875      35.35316 
1 1 1 -15 0   11 o 46.90644 16.79726 47.99564       47.76147 176.3994       116.5080 22.05831       52.36361 81.57419 26.28218 41.91861 16.92475 39.65558       31.26020 
1 1 1 -15 0   12 o 235.2865 9.886802 1347.090       110.9666 1481.310       246.7875 1313.076       124.2338 238.8734 21.85139 231.6917 11.24918 7.181702       24.57696 
1 1 1 -15 0   13 o 96.64108 15.96711 238.4479       71.19881 467.7458       151.0606 172.9622       80.72803 131.3305 24.97137 80.57955 20.81051 50.75098       32.50610 
1 1 1 -15 0   14 o 133.2731 15.40335 448.3517       96.34034 506.9053       285.2015 440.8097       102.3570 124.1525 41.19059 131.5645 16.64503 -7.411964      44.42659 
1 1 1 -15 0   15 o 186.4950 14.58217 873.1884       128.9833 1135.118       271.1745 796.6028       146.6325 199.6228 29.28415 176.1500 17.64909 23.47281       34.19140 
1 1 1 -15 0   16 o 35.06799 17.19605 -173.4084      98.17111 38.69948       173.0795 -274.0142      119.2007 66.38183 28.95587 35.41465 17.64446 30.96718       33.90825 
1 1 1 -15 0   17 o 116.7002 23.19593 381.4645       124.8571 401.9276       233.1381 373.2351       147.8468 107.4704 37.22577 111.8718 27.77215 -4.401482      46.44405 
1 1 1 -15 0   18 o 134.5475 21.84462 500.4006       135.7019 662.0281       251.8836 434.3036       161.0769 137.5948 37.34374 119.4217 28.59193 18.17303       47.03247 
1 1 1 -15 0   19 o 127.7250 18.70949 441.0164       110.8604 485.6406       258.5106 430.9604       122.7175 110.6947 39.13691 124.0724 21.46481 -13.37775      44.63671 
1 1 1 -15 0   20 o 74.52128 28.91029 168.8118       147.2267 33.42400       262.0565 231.2534       177.9682 69.83762 32.47344 82.58669 31.85396 -12.74908      45.48845 
1 1 1 -15 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 1   7  o 46.17631 19.29104 15.53751       71.09180 15.53751       71.09180 0.000000       0.000000 46.17631 19.29104 ?        ?        0.000000       19.29104 
1 1 1 -15 1   8  o 65.90488 11.66790 108.8754       35.41844 205.6792       90.20898 91.23283       38.51095 88.12645 21.58502 59.80328 13.75626 28.32317       25.59586 
1 1 1 -15 1   9  o 51.60747 15.37419 67.06206       40.76315 25.72362       109.9334 73.65176       43.89207 56.52452 23.82489 53.93779 15.92451 2.586731       28.65686 
1 1 1 -15 1   10 f 70.84517 16.10247 129.6588       53.29839 162.6204       135.1931 123.5930       57.99557 79.87176 28.29655 68.89399 17.55879 10.97777       33.30174 
1 1 1 -15 1   11 o 182.1161 11.38207 813.5413       98.60555 636.7824       186.8068 881.8122       116.0968 152.6945 26.55300 188.9441 12.93016 -36.24965      29.53389 
1 1 1 -15 1   12 o 41.10425 16.85950 17.94485       52.94292 -102.3763      181.7010 29.10768       55.34436 58.33298 27.09538 44.07338 17.53377 14.25960       32.27372 
1 1 1 -15 1   13 o 127.4947 13.34738 405.8808       80.15300 900.1489       217.7527 328.4157       86.20554 181.5546 25.81351 113.3146 16.38795 68.24001       30.57617 
1 1 1 -15 1   14 o 99.85954 22.24177 272.4717       103.4623 339.9795       237.9363 256.7312       114.8928 103.4013 37.43171 95.55737 24.90133 7.843880       44.95786 
1 1 1 -15 1   15 o 127.4099 23.03342 447.8876       135.1410 0.000000       0.000000 447.8876       135.1410 ?        ?        127.4099 23.03342 0.000000       23.03342 
1 1 1 -15 1   16 o 76.43613 26.84778 165.2518       121.5036 353.1860       294.8927 126.8231       133.3487 99.53007 40.17182 71.01920 27.52435 28.51087       48.69666 
1 1 1 -15 1   17 o 124.6440 21.20094 428.2685       121.8188 447.3308       198.9002 416.8258       154.1035 115.3917 33.85450 117.3347 27.88450 -1.942924      43.85969 
1 1 1 -15 1   18 o 49.57674 23.23136 -76.27281      138.3931 -464.3242      331.3619 5.716859       152.3132 59.34177 29.54170 58.32803 26.20280 1.013741       39.48795 
1 1 1 -15 1   19 o 60.53389 26.70232 44.37591       150.9462 -140.7093      352.7317 85.86876       167.0111 68.55880 33.39683 66.06485 28.63403 2.493950       43.99154 
1 1 1 -15 1   20 o 37.92233 18.09294 -85.87218      91.35102 -221.6509      221.0800 -57.91667      100.3153 52.78719 25.86848 42.28681 19.80360 10.50038       32.57854 
1 1 1 -15 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2   8  o 102.8048 15.49151 267.7759       73.77785 267.7759       73.77785 0.000000       0.000000 102.8048 15.49151 ?        ?        0.000000       15.49151 
1 1 1 -15 2   9  o 59.58102 15.27356 91.58926       43.70599 130.6188       100.2507 82.43018       48.56422 71.61127 24.42498 56.76583 16.74834 14.84544       29.61564 
1 1 1 -15 2   10 o 128.4132 11.67436 406.9800       70.88966 474.1578       261.0663 401.6325       73.65715 122.0016 39.34534 127.3608 12.24763 -5.359230      41.20753 
1 1 1 -15 2   11 o 78.71373 19.03304 164.0956       70.83086 322.1891       129.9768 97.31445       84.47647 107.6927 25.61912 63.34458 22.37467 44.34816       34.01419 
1 1 1 -15 2   12 o 73.93926 16.41623 142.8466       56.51789 228.8820       143.9397 127.1644       61.45333 89.49770 29.24204 69.29643 18.28640 20.20127       34.48898 
1 1 1 -15 2   13 o 49.20424 19.65276 39.93471       69.80259 302.9215       156.0121 -25.88711      78.05058 100.3279 30.12184 41.49524 18.68914 58.83262       35.44868 
1 1 1 -15 2   14 o 136.5369 16.02415 480.9665       102.6121 767.8978       193.8669 369.2995       120.9420 164.6994 25.43960 115.2596 22.75581 49.43977       34.13210 
1 1 1 -15 2   15 o 56.71612 23.99385 41.25262       112.1690 208.6681       261.8688 3.633845       124.1333 86.13911 36.56068 54.51026 24.12223 31.62885       43.80143 
1 1 1 -15 2   16 o 186.1495 36.70786 1179.669       315.0709 1179.669       315.0709 0.000000       0.000000 186.1495 36.70786 ?        ?        0.000000       36.70786 
1 1 1 -15 2   17 o 76.86303 26.50628 178.3654       118.1497 384.6767       189.1041 46.26254       151.3197 104.4544 33.46746 61.60167 26.96811 42.85276       42.98081 
1 1 1 -15 2   18 o 59.22815 22.95786 87.94664       92.78220 -47.06229      336.6891 99.04179       96.51939 70.32136 33.86068 61.43247 23.51897 8.888885       41.22727 
1 1 1 -15 2   19 o 56.49585 24.93492 37.62165       131.7988 -34.52035      213.9456 81.74472       167.3178 60.32743 28.46025 64.24779 28.23517 -3.920353      40.09003 
1 1 1 -15 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3   9  o 54.92486 20.18840 66.57629       69.59687 66.57629       69.59687 0.000000       0.000000 54.92486 20.18840 ?        ?        0.000000       20.18840 
1 1 1 -15 3   10 o 98.45776 11.33185 240.8247       52.36912 269.3403       81.37247 220.6635       68.42194 101.8238 17.33611 92.48182 16.05717 9.342010       23.62992 
1 1 1 -15 3   11 o 78.53815 16.55278 161.9416       60.18975 189.8367       124.4255 153.4198       68.77171 81.97987 27.20702 75.55879 19.04648 6.421074       33.21130 
1 1 1 -15 3   12 o 87.38999 15.23534 198.1295       61.34052 54.62252       238.4116 208.3027       63.47750 74.27081 33.11519 89.59373 15.37282 -15.32293      36.50945 
1 1 1 -15 3   13 o 79.15138 25.19864 180.9207       107.3370 39.06456       366.2615 194.2486       112.2662 81.44720 38.04428 81.59702 25.74554 -0.1498108     45.93691 
1 1 1 -15 3   14 o 34.59883 16.93062 -154.9710      93.66544 461.1841       318.2344 -213.4106      98.00671 106.0748 42.09501 32.62190 16.21103 73.45291       45.10862 
1 1 1 -15 3   15 o 41.34577 18.67859 -22.64136      78.65106 -23.86832      197.6698 -22.41057      85.72952 62.19056 28.66595 43.18627 19.50639 19.00429       34.67327 
1 1 1 -15 3   16 o 152.6680 23.36363 676.6812       165.1127 0.000000       0.000000 676.6812       165.1127 ?        ?        152.6680 23.36363 0.000000       23.36363 
1 1 1 -15 3   17 o 62.13245 26.41539 81.29650       137.0914 352.1227       313.0301 17.02479       152.4932 88.57713 38.78241 57.58715 26.01293 30.98997       46.69848 
1 1 1 -15 4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4   10 o 46.00718 18.08170 37.91281       58.20377 37.91281       58.20377 0.000000       0.000000 46.00718 18.08170 ?        ?        0.000000       18.08170 
1 1 1 -15 4   11 o 64.00402 16.12835 109.1317       49.32476 227.9211       91.60554 60.62957       58.53466 90.22691 21.53599 50.96639 18.54919 39.26052       28.42307 
1 1 1 -15 4   12 o 118.9543 11.86021 355.8292       66.55191 407.7867       124.2916 334.9449       78.80003 120.4807 22.40258 113.8357 14.83134 6.644981       26.86716 
1 1 1 -15 4   13 o 34.37568 16.28830 -69.96824      71.52782 -83.15530      105.7575 -58.85034      97.10653 42.40825 20.00760 42.37282 19.72465 0.3543472E-01  28.09565 
1 1 1 -15 4   14 o 70.51418 23.48224 144.5918       92.67065 28.44502       183.0940 184.5930       107.4501 63.33255 28.56556 78.03093 25.24845 -14.69838      38.12447 
1 1 1 -15 4   15 o 40.48447 18.14374 -11.83082      72.55318 84.13235       127.8687 -57.39520      88.10989 61.84732 25.85736 39.63708 18.56175 22.21024       31.82989 
1 1 1 -15 4   16 o 38.27735 18.34693 -95.44809      96.29826 -129.5174      309.5474 -91.79759      101.3261 63.72661 31.09643 39.70859 18.97535 24.01802       36.42872 
1 1 1 -15 5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5   11 o 68.30877 13.83083 122.2935       43.61714 143.3571       70.91445 109.4760       55.31837 71.50542 19.97709 63.35134 17.62384 8.154079       26.63989 
1 1 1 -15 5   12 o 161.0513 9.520520 642.8868       72.97791 636.2078       107.1735 648.6609       99.64947 156.6451 14.47437 159.2062 13.21087 -2.561127      19.59680 
1 1 1 -15 5   13 o 42.59818 18.56207 7.032337       70.96764 84.74362       115.1177 -40.60656      90.13237 60.63098 24.86373 41.66600 19.25931 18.96498       31.45038 
1 1 1 -15 5   14 o 55.78844 20.38905 83.15523       70.82935 371.9472       168.5854 21.25147       78.05234 100.4433 31.52971 45.88739 19.72975 54.55588       37.19389 
1 1 1 -15 6   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6   12 o 70.02518 13.72645 130.8285       44.31021 61.36683       81.32822 160.1521       52.84177 52.57127 21.13939 77.00640 14.89165 -24.43513      25.85798 
1 1 1 -15 7   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -23 1  o 103.9432 20.21586 292.8074       96.84286 292.8074       96.84286 0.000000       0.000000 103.9432 20.21586 ?        ?        0.000000       20.21586 
1 1 1 -14 -22 1  o 123.2989 21.04479 403.8873       119.6056 403.8873       119.6056 0.000000       0.000000 123.2989 21.04479 ?        ?        0.000000       21.04479 
1 1 1 -14 -22 2  o 132.3419 11.05123 432.2526       69.28468 477.8824       101.1196 391.8752       95.12184 137.0932 15.71160 123.6163 16.50743 13.47687       22.78924 
1 1 1 -14 -22 3  o 61.85089 17.41301 100.6386       53.66098 80.76912       89.85008 111.6550       66.90297 60.29198 22.78370 64.96640 19.77296 -4.674416      30.16732 
1 1 1 -14 -22 4  o 42.85343 17.10222 28.19961       52.81709 129.1447       110.9338 -1.390679      60.06148 70.77830 25.56746 39.52125 17.15022 31.25705       30.78677 
1 1 1 -14 -22 5  f 83.36977 16.22680 181.9910       62.34921 162.0210       108.7682 191.7645       76.09184 76.37280 25.44031 84.30024 19.29753 -7.927444      31.93124 
1 1 1 -14 -21 1  o 145.0667 14.98185 527.0474       102.4131 527.0474       102.4131 0.000000       0.000000 145.0667 14.98185 ?        ?        0.000000       14.98185 
1 1 1 -14 -21 2  o 75.71617 20.00642 151.8963       73.49656 153.1484       108.2662 150.8262       100.0938 76.36649 25.37998 75.57836 24.36147 0.7881241      35.17989 
1 1 1 -14 -21 3  o 38.65064 15.85303 15.32359       46.81015 56.65244       82.99638 -3.955801      56.68644 55.48781 21.65547 38.34487 16.65041 17.14294       27.31658 
1 1 1 -14 -21 4  o 144.3253 10.52663 510.6696       72.13456 613.1929       103.9627 415.4897       100.1703 156.7737 14.01840 127.6097 16.82881 29.16396       21.90261 
1 1 1 -14 -21 5  o 90.59164 16.40029 211.7123       68.41666 266.7674       154.1481 198.2064       76.34873 96.24741 30.14035 86.63107 18.96151 9.616348       35.60870 
1 1 1 -14 -21 6  o 59.95361 17.97724 93.35677       55.59643 -53.05713      95.55018 168.2979       68.35975 43.59381 20.03435 79.74922 18.31593 -36.15541      27.14495 
1 1 1 -14 -21 7  o 188.0100 11.79373 874.4642       105.4744 822.9537       160.3064 913.7858       140.0617 177.5659 19.18792 189.8783 15.56544 -12.31235      24.70747 
1 1 1 -14 -21 8  o 83.00899 18.64019 184.3755       72.15984 460.5474       201.3655 143.6851       77.29317 120.7680 33.63514 72.65376 21.04442 48.11423       39.67606 
1 1 1 -14 -20 1  o 145.9625 10.88025 519.7935       75.37949 560.6870       111.6769 485.5710       102.1627 150.0013 15.81008 139.5723 15.57549 10.42891       22.19356 
1 1 1 -14 -20 2  o 264.0461 8.995340 1686.784       113.3890 1883.822       167.4326 1519.861       154.1075 277.4597 12.65543 249.0054 12.99006 28.45428       18.13564 
1 1 1 -14 -20 3  o 172.3640 10.70403 724.5925       87.77157 800.9106       126.5057 653.7547       121.8790 179.6378 14.86295 161.7168 15.97230 17.92094       21.81792 
1 1 1 -14 -20 4  o 55.21542 20.48428 64.02048       71.93995 92.27644       108.9453 42.17393       95.79545 66.08561 25.06198 55.95418 22.78173 10.13143       33.86901 
1 1 1 -14 -20 5  o 142.3779 12.59215 500.7709       84.83109 671.8359       158.7157 432.3585       100.3707 160.7543 21.16505 130.7338 16.42000 30.02052       26.78760 
1 1 1 -14 -20 6  o 60.99750 17.52154 96.14938       53.79016 131.9232       92.85367 78.08032       65.99096 71.42664 23.49487 57.21613 19.80589 14.21051       30.72917 
1 1 1 -14 -20 7  o 75.55984 16.67895 148.3429       58.63662 218.8216       103.5718 115.0972       71.13453 89.58432 23.78638 66.50645 20.41719 23.07787       31.34730 
1 1 1 -14 -20 8  o 73.44685 21.78514 143.8329       81.98871 111.8629       193.3260 150.8440       90.53349 77.69463 32.07836 75.09258 23.02989 2.602043       39.48920 
1 1 1 -14 -20 9  o 81.36948 23.41910 181.5957       96.00549 149.5230       127.3921 223.7561       146.0586 76.00645 27.40613 88.71961 29.47850 -12.71317      40.25019 
1 1 1 -14 -20 10 o 72.47040 23.93207 141.2446       96.30818 354.8729       127.6890 -140.6445      146.6774 112.8333 24.38321 48.44371 23.06044 64.38956       33.56076 
1 1 1 -14 -20 11 o 115.0476 25.14681 375.1310       134.4452 598.2960       252.3791 286.7081       158.8629 133.2738 37.84696 97.14226 30.62265 36.13159       48.68407 
1 1 1 -14 -19 1  o 84.79449 12.11467 178.0902       47.71761 170.3621       74.44869 183.4787       62.16584 81.13593 19.44629 85.12856 15.85787 -3.992622      25.09243 
1 1 1 -14 -19 2  o 234.8056 9.732216 1334.740       109.0149 1432.604       140.7433 1187.974       172.3573 242.4220 12.18265 218.8633 16.59577 23.55862       20.58729 
1 1 1 -14 -19 3  o 131.0267 15.08802 426.5156       92.79138 701.9443       179.3772 325.8826       108.4258 164.7685 23.43083 112.3047 20.96503 52.46375       31.44100 
1 1 1 -14 -19 4  o 129.7619 13.52254 415.5511       82.66124 588.9714       127.8370 290.9420       108.3631 153.1481 17.79039 105.4792 22.19259 47.66895       28.44308 
1 1 1 -14 -19 5  o 96.22667 19.07657 238.7233       84.65971 310.9366       146.7332 202.6892       103.6518 106.7844 28.29302 87.43996 24.04751 19.34441       37.13189 
1 1 1 -14 -19 6  o 56.00163 19.77468 71.24401       65.98029 92.36741       89.01447 45.48660       98.29465 63.72657 22.91789 57.20897 23.15605 6.517597       32.57963 
1 1 1 -14 -19 7  o 158.5704 12.80338 619.6533       96.23866 682.4110       134.4979 553.8098       137.7649 164.4609 17.36786 146.6442 20.18504 17.81673       26.62852 
1 1 1 -14 -19 8  o 90.67026 19.95806 216.4145       84.16628 441.1590       190.6119 161.9824       93.80653 123.5934 32.00728 78.02598 23.34118 45.56738       39.61410 
1 1 1 -14 -19 9  o 125.1176 17.21063 399.5853       100.2246 398.6240       136.6358 400.7049       147.4603 121.3291 24.40195 120.5582 26.32372 0.7709427      35.89420 
1 1 1 -14 -19 10 o 92.62476 26.46750 238.7923       123.0499 165.9109       223.7543 270.3894       147.3284 86.14947 34.91267 97.46955 29.27334 -11.32008      45.56120 
1 1 1 -14 -19 11 o 133.7205 18.63176 463.5533       115.8831 621.8289       162.0865 298.0592       165.7414 152.3545 22.96571 100.7326 31.20783 51.62189       38.74728 
1 1 1 -14 -19 12 o 139.5682 19.39280 511.4432       125.9093 482.1641       173.1153 544.3261       183.4600 128.8231 28.82925 137.0553 28.90969 -8.232193      40.82763 
1 1 1 -14 -19 13 o 83.56615 23.03695 194.9704       94.99554 217.3383       163.2923 183.5277       116.7930 86.45312 31.04667 80.58568 26.34127 5.867439       40.71558 
1 1 1 -14 -18 1  o 128.5718 10.54736 402.1291       64.26385 339.9799       91.93674 461.5079       89.86430 116.4739 17.01207 136.9670 13.91645 -20.49306      21.97904 
1 1 1 -14 -18 2  o 33.27413 14.16805 0.9123254      39.54309 20.65983       49.19031 -35.15919      66.48225 40.95430 16.44999 37.65583 17.07618 3.298473       23.71072 
1 1 1 -14 -18 3  o 93.00832 13.17960 214.5402       56.96519 322.8850       113.8187 178.3307       65.79926 111.6313 22.10876 83.67773 17.02756 27.95358       27.90583 
1 1 1 -14 -18 4  o 124.9701 10.72426 380.7086       63.45505 413.7589       97.56577 356.4796       83.53668 128.7969 16.20240 119.8123 14.90505 8.984612       22.01541 
1 1 1 -14 -18 5  o 83.72665 19.07778 180.9475       74.65757 363.9261       158.8182 129.0440       84.58604 115.9037 28.79063 71.39751 22.32225 44.50620       36.43053 
1 1 1 -14 -18 6  o 380.3288 10.22654 3502.462       185.7813 3189.741       373.5869 3605.205       214.1363 354.6981 22.14092 385.1458 11.64275 -30.44766      25.01548 
1 1 1 -14 -18 7  o 159.8495 15.11039 632.6854       114.1064 848.2151       178.0508 482.4724       148.6429 182.7022 20.75130 135.9306 23.73597 46.77159       31.52797 
1 1 1 -14 -18 8  o 50.18590 20.92481 20.32068       83.40025 58.51028       108.6400 -34.48214      130.1423 61.27046 24.50250 54.61607 24.40133 6.654385       34.58031 
1 1 1 -14 -18 9  o 92.76632 25.06817 232.0353       113.7972 350.6226       196.6846 172.3626       139.5209 110.6661 33.94565 82.34584 28.78096 28.32021       44.50451 
1 1 1 -14 -18 10 o 189.3242 14.06114 888.1069       126.3640 909.3771       186.0723 869.9006       172.1500 187.5831 21.11446 184.2127 19.86045 3.370377       28.98721 
1 1 1 -14 -18 11 o 168.6127 15.85159 714.4481       126.2836 740.7750       176.8080 687.0310       180.4312 167.6724 22.63376 160.2959 24.30541 7.376541       33.21205 
1 1 1 -14 -18 12 o 81.76369 28.82273 176.3836       140.1277 124.9996       248.8533 200.2406       169.5655 84.46269 35.73555 86.72401 31.56975 -2.261314      47.68310 
1 1 1 -14 -18 13 o 196.9128 13.09152 962.2207       122.5459 1023.887       180.3455 909.3234       167.0315 199.0835 19.18526 187.7669 18.86199 11.31653       26.90444 
1 1 1 -14 -18 14 o 108.5035 18.55408 309.6592       92.79174 388.4035       141.4970 250.2422       122.9116 117.1814 25.94267 93.53938 26.36045 23.64202       36.98507 
1 1 1 -14 -18 15 o 92.54838 18.07139 227.2637       77.08934 177.8565       144.2200 247.0269       91.21357 80.01778 29.11692 95.27804 20.62355 -15.26025      35.68089 
1 1 1 -14 -17 1  o 272.9615 8.166145 1792.834       106.4482 1920.155       125.7332 1470.633       200.0161 282.2158 9.331637 244.3820 17.22980 37.83380       19.59453 
1 1 1 -14 -17 2  o 213.1282 9.288651 1096.011       94.41864 949.0543       153.8069 1184.882       119.6080 196.2819 16.54419 221.1182 11.35229 -24.83636      20.06451 
1 1 1 -14 -17 3  o 130.5389 11.84767 415.7520       73.13579 396.1982       118.0990 427.9157       93.14598 124.9548 20.47770 131.6472 15.07071 -6.692398      25.42563 
1 1 1 -14 -17 4  o 220.7553 11.02126 1181.221       115.9511 1192.296       167.5702 1171.046       160.6105 220.1161 16.03337 218.3450 15.48638 1.771118       22.29119 
1 1 1 -14 -17 5  f 227.7221 11.39335 1259.062       123.6470 1296.697       184.1072 1228.139       166.8850 229.0041 16.93571 223.3484 15.72941 5.655685       23.11347 
1 1 1 -14 -17 6  o 154.6723 12.24539 584.4128       89.81270 569.6044       173.6463 589.8210       104.9392 147.6554 25.52133 154.7812 14.34433 -7.125763      29.27623 
1 1 1 -14 -17 7  o 157.5958 11.22454 604.8613       84.01740 784.2176       140.4109 504.8270       104.8617 177.6923 16.72481 142.6294 15.63387 35.06291       22.89404 
1 1 1 -14 -17 8  o 62.26499 21.16492 92.05737       75.26592 42.20930       184.1711 102.0519       82.46690 72.29851 30.67245 65.27668 22.15471 7.021828       37.83688 
1 1 1 -14 -17 9  o 128.8863 16.76774 416.4402       100.8742 374.3465       133.0712 473.3057       154.6676 119.2595 24.16782 134.0578 25.05327 -14.79823      34.81020 
1 1 1 -14 -17 10 o 161.3909 15.69709 647.5511       119.5890 808.2960       167.1223 478.8660       171.2002 178.5014 19.92249 133.1739 27.78897 45.32750       34.19258 
1 1 1 -14 -17 11 o 227.5333 14.16045 1277.541       153.2754 1327.978       256.0614 1249.378       191.3414 225.5309 24.12235 222.8085 18.11884 2.722366       30.16919 
1 1 1 -14 -17 12 o 193.9383 14.67187 934.8400       135.0280 985.6330       195.1109 888.1520       187.0602 195.2130 21.24817 185.0226 21.54987 10.19034       30.26353 
1 1 1 -14 -17 13 o 203.0617 13.13477 1019.318       126.8302 1018.943       185.9215 1019.644       173.4566 198.9468 19.81018 200.0225 18.34262 -1.075638      26.99806 
1 1 1 -14 -17 14 o 205.9286 13.41523 1051.654       131.3569 1086.581       237.0354 1036.174       157.8038 200.5835 25.27797 202.5960 16.43311 -2.012451      30.15000 
1 1 1 -14 -17 15 o 62.54549 20.31960 100.6441       69.55266 -152.9228      138.7597 185.7295       80.37934 46.27427 22.13798 83.09036 20.38935 -36.81609      30.09677 
1 1 1 -14 -17 16 o 138.9161 18.24576 503.7433       118.2511 422.5750       205.4492 543.9545       144.6055 114.9930 34.57587 141.8398 22.03971 -26.84681      41.00292 
1 1 1 -14 -16 1  o 203.1788 7.630595 992.9903       73.98996 1110.504       99.25664 846.0229       111.0008 214.4798 9.704906 186.5063 12.52125 27.97351       15.84194 
1 1 1 -14 -16 2  o 153.7385 9.860007 571.8602       72.08961 703.9384       105.4722 456.0604       98.75885 169.9119 13.08463 135.9507 15.46930 33.96115       20.26097 
1 1 1 -14 -16 3  o 175.7153 9.785422 746.1971       81.88017 769.4257       126.3912 729.3982       107.4848 177.1401 15.06707 172.9762 13.09453 4.163895       19.96205 
1 1 1 -14 -16 4  o 195.7556 9.744617 925.5904       90.91169 1128.806       149.3910 806.0718       114.5681 214.9032 14.62748 181.8233 13.27110 33.07994       19.75058 
1 1 1 -14 -16 5  o 344.6460 13.01946 2884.944       214.1376 3363.801       308.5940 2440.230       297.3893 369.8738 17.50084 313.5864 19.93954 56.28738       26.53045 
1 1 1 -14 -16 6  o 86.30060 13.30261 184.8969       53.12440 242.2236       99.38468 161.9649       62.85814 96.76511 21.98457 79.83552 16.99071 16.92960       27.78499 
1 1 1 -14 -16 7  o 225.2699 9.960305 1227.267       107.0063 1295.410       188.1514 1194.689       130.0943 228.8255 17.32745 221.5723 12.32964 7.253189       21.26642 
1 1 1 -14 -16 8  o 141.2282 12.12634 487.5298       81.08473 593.9658       136.0349 428.8757       100.9847 153.7498 18.90411 131.1533 16.46735 22.59647       25.07068 
1 1 1 -14 -16 9  o 186.3393 11.52592 845.2177       102.1780 1028.711       205.4550 784.9203       117.7757 201.3211 21.68787 178.8145 13.88542 22.50659       25.75206 
1 1 1 -14 -16 10 o 251.3947 10.09400 1530.922       121.0720 1918.510       220.4137 1363.445       144.8872 278.4254 16.63435 236.2382 12.87706 42.18712       21.03617 
1 1 1 -14 -16 11 o 46.05338 19.15521 16.36603       69.64520 -53.30886      116.4588 55.15708       86.89600 49.80812 22.59249 56.77101 22.15777 -6.962883      31.64470 
1 1 1 -14 -16 12 o 94.17542 26.02551 238.4018       121.0750 241.8683       220.5918 236.9072       144.8418 97.24715 35.90770 93.74398 29.19523 3.503174       46.27877 
1 1 1 -14 -16 13 o 50.66302 20.93021 26.49317       82.36933 -151.9907      121.2918 179.2573       112.2129 42.96095 20.59153 82.16595 25.71366 -39.20501      32.94242 
1 1 1 -14 -16 14 o 101.5789 19.55426 269.7934       91.51697 316.6631       137.8610 232.8658       122.3687 106.7824 26.99436 91.94988 26.43215 14.83248       37.78034 
1 1 1 -14 -16 15 o 31.87019 15.19741 -78.28445      64.27486 293.0700       265.9740 -101.3161      66.23806 101.1925 38.96475 30.57501 14.79502 70.61746       41.67906 
1 1 1 -14 -16 16 o 150.8274 14.60431 571.2870       103.9939 581.2527       212.8503 568.1622       119.1879 140.0027 32.43670 149.1585 17.01794 -9.155777      36.62990 
1 1 1 -14 -16 17 o 223.0963 13.53756 1243.526       143.7117 1399.547       262.1964 1176.525       171.8201 225.9726 24.66984 214.4291 16.89674 11.54350       29.90151 
1 1 1 -14 -16 18 o 45.47485 19.78058 1.872211       80.29084 283.8511       373.0720 -11.82271      82.21748 96.96130 42.39876 44.18594 19.58853 52.77536       46.70509 
1 1 1 -14 -15 1  o 275.9005 9.869550 1836.008       129.9744 1835.360       161.1581 1837.213       219.8371 275.1813 12.28063 273.6608 16.88496 1.520477       20.87860 
1 1 1 -14 -15 2  o 171.0353 9.544974 706.5571       77.73965 663.3719       117.0198 740.6723       104.0078 164.4411 15.05146 174.4854 12.55192 -10.04430      19.59840 
1 1 1 -14 -15 3  f 184.3556 10.41873 822.2078       91.45515 788.5573       132.6190 852.7218       126.2874 179.1993 15.63609 186.8071 14.24778 -7.607834      21.15388 
1 1 1 -14 -15 4  o 126.1571 11.53051 387.7374       68.77738 530.3992       104.5957 279.0666       91.28853 146.8424 15.11451 105.0413 18.87167 41.80107       24.17826 
1 1 1 -14 -15 5  o 389.0808 8.167408 3638.827       151.9261 4133.379       236.7110 3292.398       198.1160 413.1942 11.99543 369.0213 11.24259 44.17282       16.44039 
1 1 1 -14 -15 6  o 425.3597 15.86147 4421.668       321.9933 4590.792       459.6959 4258.768       451.1587 428.7375 22.50579 412.5403 22.96529 16.19714       32.15455 
1 1 1 -14 -15 7  o 85.60285 16.65907 185.1010       65.72437 174.0032       104.6434 192.3311       84.46243 82.47016 24.64831 86.46007 20.70675 -3.989906      32.19175 
1 1 1 -14 -15 8  o 191.2269 11.00631 886.5913       100.1984 774.4423       188.6736 930.6458       118.2519 174.4771 23.19240 195.4809 12.72217 -21.00383      26.45262 
1 1 1 -14 -15 9  o 57.33479 19.92640 74.67175       66.82709 -66.68133      109.5989 158.3265       84.31380 47.08762 21.57193 78.32178 21.74630 -31.23415      30.63086 
1 1 1 -14 -15 10 o 138.1553 14.25150 470.7251       92.78253 365.7946       196.9013 500.6740       105.1933 115.1712 33.65479 142.0562 15.75337 -26.88502      37.15930 
1 1 1 -14 -15 11 o 264.2344 12.33487 1701.080       155.3932 1767.542       233.6205 1648.344       208.1044 266.2929 18.46465 257.9415 16.96956 8.351440       25.07806 
1 1 1 -14 -15 12 f 341.5927 9.071888 2818.440       148.0233 2773.315       237.5299 2847.090       189.2686 335.9614 14.82488 342.2141 11.58508 -6.252625      18.81465 
1 1 1 -14 -15 13 o 98.02493 17.00647 244.0767       76.81178 235.2627       115.6467 251.0345       102.7499 93.85926 25.23114 97.66268 22.47328 -3.803421      33.78844 
1 1 1 -14 -15 14 o 150.2968 15.24420 562.8070       108.0240 534.7798       156.3262 588.4209       149.4442 142.5096 23.78209 150.9353 21.30153 -8.425690      31.92715 
1 1 1 -14 -15 15 o 208.2479 13.68159 1072.372       135.4607 3256.983       267.3260 317.6346       157.1274 361.8319 15.48930 105.9677 29.78402 255.8642       33.57091 
1 1 1 -14 -15 16 o 136.1019 14.43477 463.9681       92.49491 485.5680       170.2646 454.9250       110.1686 131.7425 27.90227 133.2540 17.73272 -1.511551      33.06034 
1 1 1 -14 -15 17 o 202.1644 13.30302 1014.472       127.8624 997.9843       212.5170 1023.827       160.0773 193.2734 23.48034 200.9141 16.81943 -7.640686      28.88286 
1 1 1 -14 -15 18 f 49.94242 23.96041 -177.7671      165.0923 -177.7671      165.0923 0.000000       0.000000 49.94242 23.96041 ?        ?        0.000000       23.96041 
1 1 1 -14 -15 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -14 1  o 258.8475 9.303160 1613.897       114.9413 1733.410       205.5882 1559.553       138.6320 266.2481 16.22822 253.9498 11.44789 12.29836       19.85974 
1 1 1 -14 -14 2  o 200.5036 10.29375 971.1790       98.34402 1123.295       141.2830 828.1964       136.9759 214.8011 13.83118 183.7872 15.74050 31.01381       20.95387 
1 1 1 -14 -14 3  o 97.69005 13.97708 236.0288       63.42111 331.7870       102.1600 175.9825       80.89763 114.7360 19.30896 82.86757 20.52675 31.86847       28.18126 
1 1 1 -14 -14 4  o 157.8083 11.60687 604.8369       86.95692 529.2933       148.3395 644.3868       107.3324 144.5279 22.17515 162.3559 13.96335 -17.82800      26.20520 
1 1 1 -14 -14 5  o 212.3807 9.808358 1088.930       99.32201 1268.311       168.7555 993.8616       122.8538 227.5934 15.60362 202.1760 12.77548 25.41736       20.16646 
1 1 1 -14 -14 6  o 231.6853 11.29481 1299.718       124.7312 1388.789       185.9698 1226.888       168.1641 237.8423 16.45625 223.7092 15.82535 14.13310       22.83090 
1 1 1 -14 -14 7  o 37.08334 15.25104 11.29746       43.47242 -198.7027      160.5900 27.90335       45.15852 50.02794 23.90166 41.50738 16.03616 8.520561       28.78276 
1 1 1 -14 -14 8  o 97.37433 18.04471 239.7242       80.91186 258.0064       109.8646 218.0553       119.6086 99.72562 23.44139 91.60406 26.06834 8.121552       35.05791 
1 1 1 -14 -14 9  o 213.2366 11.63249 1102.961       118.1395 1090.823       188.8849 1110.760       151.4108 209.5256 19.06465 212.9873 14.96469 -3.461639      24.23640 
1 1 1 -14 -14 10 o 371.2533 11.97686 3342.702       212.3014 3622.449       273.3816 2917.673       336.9734 385.0028 14.88043 341.9530 20.70911 43.04984       25.50087 
1 1 1 -14 -14 11 f 240.5648 12.43679 1409.369       142.5515 1343.639       211.8632 1463.743       192.6941 231.8996 19.28374 243.4172 16.65845 -11.51759      25.48268 
1 1 1 -14 -14 12 o 179.3600 12.61667 786.2190       107.4977 761.8739       171.0702 802.1049       138.1889 173.2244 21.09071 179.8999 16.24172 -6.675461      26.61976 
1 1 1 -14 -14 13 o 214.9738 11.94594 1126.641       122.2934 1543.448       191.4363 839.2746       158.9555 249.8192 16.11436 182.9245 18.42672 66.89468       24.47890 
1 1 1 -14 -14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -14 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -14 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -14 17 o 104.0886 16.71176 277.8028       80.34985 281.0467       172.5390 276.9045       90.79619 98.65829 32.00019 102.8845 19.16401 -4.226189      37.29975 
1 1 1 -14 -14 18 f 126.8645 14.89702 406.1423       88.63457 896.2131       191.7654 273.0052       99.95171 183.9632 22.25564 100.8726 21.38997 83.09061       30.86818 
1 1 1 -14 -14 19 o 97.46696 26.96828 273.4302       129.9169 787.8184       322.3701 173.6872       141.9550 149.2457 42.90145 80.06776 28.92230 69.17793       51.74007 
1 1 1 -14 -14 20 o 55.57924 21.70088 62.42513       83.37515 377.9072       198.0062 -5.565668      91.92140 107.7677 34.21508 47.32249 20.85756 60.44517       40.07131 
1 1 1 -14 -13 1  o 454.3066 8.010049 4955.991       173.9773 4944.993       250.0612 4966.309       242.2088 452.5578 11.56698 453.8203 11.16343 -1.262573      16.07536 
1 1 1 -14 -13 2  o 275.4454 8.728705 1825.272       114.8008 2033.622       174.4964 1666.272       152.4363 289.7666 12.62623 262.3603 12.18625 27.40634       17.54783 
1 1 1 -14 -13 3  o 150.4082 11.81311 549.4901       84.26503 413.5154       137.0745 632.0905       106.8363 127.2378 23.39553 160.8858 14.02989 -33.64797      27.27982 
1 1 1 -14 -13 4  o 61.71626 19.37041 93.03285       63.63157 55.28786       80.30943 156.6948       104.2982 56.05255 21.45480 79.18818 24.79150 -23.13563      32.78608 
1 1 1 -14 -13 5  o 123.1156 12.23127 370.0018       71.04243 269.6133       107.9420 446.7173       94.36047 102.3187 22.66379 134.7725 14.89283 -32.45382      27.11907 
1 1 1 -14 -13 6  o 65.07700 20.54800 103.8398       71.50096 64.18385       94.03479 158.1905       110.0873 60.29949 23.18146 79.72726 25.53432 -19.42777      34.48741 
1 1 1 -14 -13 7  o 244.3466 11.84359 1447.008       137.9439 1397.377       196.3224 1495.405       193.8652 238.2499 17.35470 246.8333 16.52328 -8.583374      23.96257 
1 1 1 -14 -13 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -13 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -13 12 o 242.2892 12.44141 1429.339       143.6334 1921.179       241.2714 1159.340       178.7620 278.2050 18.24041 216.2091 17.44182 61.99597       25.23746 
1 1 1 -14 -13 13 o 62.48421 20.28653 95.55240       69.33272 -184.4032      137.2077 191.5479       80.34509 45.19909 21.72596 86.02580 19.92711 -40.82671      29.48063 
1 1 1 -14 -13 14 o 150.2348 13.73696 555.9132       97.57574 345.7050       165.4774 667.9626       120.8144 112.2802 30.18069 164.1314 15.58307 -51.85115      33.96626 
1 1 1 -14 -13 15 o 61.92178 21.52946 89.56948       78.01598 -91.89471      242.9243 110.4380       82.37987 70.50661 32.23105 66.93311 22.13521 3.573502       39.09998 
1 1 1 -14 -13 16 o 62.45201 24.11940 74.36095       102.1313 335.4799       157.7320 -114.1479      134.0190 110.0410 29.41602 48.70594 22.83547 61.33502       37.23924 
1 1 1 -14 -13 17 o 178.2808 14.29886 789.5233       120.8538 806.7581       202.1946 779.9435       150.7446 173.8259 25.05260 175.1455 18.27094 -1.319595      31.00742 
1 1 1 -14 -13 18 o 196.4289 14.79006 964.3751       137.8739 1290.950       312.9560 885.7262       153.5812 212.2953 31.81295 186.6519 17.41152 25.64349       36.26603 
1 1 1 -14 -13 19 o 61.74783 24.82470 66.86469       112.1340 126.6293       181.8588 30.20450       142.4327 77.69188 31.47865 62.12285 26.68044 15.56903       41.26441 
1 1 1 -14 -13 20 o 60.25105 22.01012 85.95275       82.52611 152.4903       194.7999 71.39881       91.10571 80.35139 32.57096 58.72186 22.75282 21.62953       39.73108 
1 1 1 -14 -13 21 o 141.1024 16.47370 515.6010       109.0421 466.2771       222.1405 531.2585       125.1585 117.3760 36.08875 141.5509 18.97160 -24.17496      40.77155 
1 1 1 -14 -12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -12 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -12 6  o 59.85065 20.31117 82.76207       69.31332 38.93425       96.06548 130.3552       100.1070 56.66674 22.90804 73.56942 24.40347 -16.90268      33.47099 
1 1 1 -14 -12 7  o 158.5801 12.93034 613.0110       97.18168 598.5695       190.2156 618.1121       113.0495 151.9061 27.19006 158.6961 15.08131 -6.790054      31.09253 
1 1 1 -14 -12 8  o 212.5013 11.89738 1095.342       120.3881 823.5238       217.0057 1216.193       144.6965 179.0911 26.11292 223.4637 13.60838 -44.37267      29.44610 
1 1 1 -14 -12 9  o 189.7070 11.96632 874.0767       107.9777 812.0187       174.2620 912.7521       137.5695 180.0425 20.61645 193.0126 15.02662 -12.97015      25.51151 
1 1 1 -14 -12 10 o 158.8523 13.61306 617.0493       102.3893 496.7491       203.1930 657.9915       118.5389 135.9498 31.82727 163.5938 15.33479 -27.64409      35.32890 
1 1 1 -14 -12 11 o 238.3460 12.49588 1380.214       141.8938 1258.861       213.4108 1476.367       189.9654 224.7415 20.07317 245.1704 16.29939 -20.42888      25.85734 
1 1 1 -14 -12 12 o 276.2787 13.07200 1857.595       172.1727 1787.512       256.5342 1915.038       232.2508 267.7443 20.18963 278.5788 17.52699 -10.83453      26.73606 
1 1 1 -14 -12 13 o 276.2414 12.97040 1859.909       170.8189 1900.609       255.5361 1827.029       229.6767 275.9632 19.49380 271.5000 17.79256 4.463135       26.39287 
1 1 1 -14 -12 14 o 60.94386 21.10249 86.19477       74.91644 -121.7753      228.3674 111.2753       79.30523 66.82027 30.80412 67.03904 21.69107 -0.2187729     37.67488 
1 1 1 -14 -12 15 o 143.8077 14.24470 511.0840       96.65086 410.1121       174.6538 555.6541       116.0378 122.2208 30.09349 149.1813 16.54760 -26.96043      34.34300 
1 1 1 -14 -12 16 o 179.0227 13.57364 788.3230       115.3093 729.8365       198.8666 817.9458       141.5297 166.3074 25.85096 181.1696 16.52168 -14.86218      30.67960 
1 1 1 -14 -12 17 o 112.7268 25.10606 341.7903       131.8333 819.2650       293.3496 220.9509       147.5756 166.6771 37.69874 90.65081 29.60845 76.02631       47.93595 
1 1 1 -14 -12 18 o 69.84681 24.48353 120.4092       101.0121 58.50335       181.1231 148.3558       121.6949 71.63069 30.40451 76.46854 26.86813 -4.837852      40.57500 
1 1 1 -14 -12 19 o 54.39508 20.98959 57.17886       77.29675 178.5041       184.4987 31.34980       85.12794 84.32336 32.45690 51.56898 21.28855 32.75438       38.81562 
1 1 1 -14 -12 20 o 57.69650 24.32877 34.64236       114.7075 286.7922       192.0802 -105.1287      143.0085 97.91433 33.79530 50.30226 23.58549 47.61207       41.21162 
1 1 1 -14 -12 21 o 172.0228 16.10206 757.3036       130.8877 1184.892       346.7419 686.2523       141.3447 188.0985 39.80137 161.9545 18.59157 26.14400       43.92944 
1 1 1 -14 -12 22 o 87.62433 29.50007 233.4678       146.2072 -464.5842      357.0610 374.0870       160.2584 63.55889 31.47256 109.9941 29.75936 -46.43517      43.31444 
1 1 1 -14 -11 1  o 223.7560 11.01065 1209.195       117.4249 1216.838       170.0098 1202.222       162.3805 223.1945 16.03938 222.0305 15.39252 1.163925       22.23042 
1 1 1 -14 -11 2  o 207.2818 10.93920 1038.041       108.0226 999.0155       158.0335 1072.265       147.9943 201.9740 16.51005 209.7594 14.85365 -7.785461      22.20839 
1 1 1 -14 -11 3  o 222.5609 10.04236 1194.515       106.5793 1118.054       137.8283 1308.235       168.0877 214.5392 13.50619 231.6428 15.26284 -17.10361      20.38066 
1 1 1 -14 -11 4  o 94.95620 18.37766 227.6288       80.41387 160.3462       138.4883 261.8527       98.77035 82.74888 28.68938 101.3540 21.07155 -18.60507      35.59622 
1 1 1 -14 -11 5  o 98.29807 18.66098 244.0185       84.49103 337.4726       152.0083 202.2378       101.6379 113.5018 28.15069 88.66064 23.57343 24.84111       36.71741 
1 1 1 -14 -11 6  o 225.2099 11.34139 1226.839       121.7200 1324.400       179.9868 1144.616       165.2341 232.5962 16.28859 216.2158 16.10024 16.38039       22.90275 
1 1 1 -14 -11 7  o 209.0728 10.86996 1057.141       108.2779 1101.919       178.2218 1030.944       136.3213 211.4535 17.79435 205.6906 13.94492 5.762848       22.60752 
1 1 1 -14 -11 8  o 112.7723 13.55935 312.7017       71.64066 306.6620       128.1257 315.4488       86.41076 108.5235 25.18212 112.5285 16.55635 -4.005035      30.13721 
1 1 1 -14 -11 9  o 240.7137 10.65538 1400.878       122.3209 1496.053       209.9035 1351.936       150.5206 246.2781 17.95055 235.6868 13.41372 10.59135       22.40871 
1 1 1 -14 -11 10 o 54.51488 18.52015 68.37906       57.62980 126.7645       112.2481 47.48015       67.15658 73.91341 25.81645 51.54984 19.64675 22.36356       32.44201 
1 1 1 -14 -11 11 o 191.9694 13.15182 898.2227       119.9760 813.2300       217.0583 935.6128       143.9673 177.5671 26.36799 195.2058 15.55490 -17.63870      30.61415 
1 1 1 -14 -11 12 o 121.7185 14.05585 364.9164       80.29329 370.2308       141.2656 362.3801       97.58987 118.9872 25.59324 120.3464 17.47162 -1.359146      30.98825 
1 1 1 -14 -11 13 o 210.9722 12.01723 1081.987       120.7085 1122.982       195.4539 1056.710       153.4741 212.1333 19.48967 207.3095 15.59929 4.823792       24.96367 
1 1 1 -14 -11 14 o 84.97887 23.39034 188.7292       98.01743 43.68481       150.3901 295.8411       129.2373 67.22076 28.06851 105.5548 25.82487 -38.33401      38.14138 
1 1 1 -14 -11 15 o 181.0191 14.71035 807.8543       126.2117 633.3942       272.8388 855.3499       142.3589 147.9400 38.28417 185.7098 16.19585 -37.76987      41.56902 
1 1 1 -14 -11 16 o 408.0035 15.84540 4110.366       308.4957 4397.398       450.9795 3857.931       422.9279 415.0370 22.81579 388.6304 22.86357 26.40659       32.30021 
1 1 1 -14 -11 17 o 149.0167 14.73047 550.9329       103.5732 496.1850       194.4839 572.6073       122.3697 133.5482 31.05057 150.9451 17.26726 -17.39691      35.52881 
1 1 1 -14 -11 18 o 75.24456 27.47016 134.8024       128.5194 -247.1000      302.8223 218.7028       141.9363 69.74144 33.18049 89.83186 29.01467 -20.09042      44.07716 
1 1 1 -14 -11 19 o 139.1897 17.37915 494.3024       113.1366 224.5330       324.5589 531.6168       120.7078 97.83384 41.06863 144.1446 17.90022 -46.31072      44.80011 
1 1 1 -14 -11 20 o 75.66544 22.04598 154.3656       84.60078 499.6405       194.8544 74.15922       93.91438 129.9445 31.66038 60.08102 23.14860 69.86343       39.22037 
1 1 1 -14 -11 21 o 90.65908 26.72780 234.8649       123.7194 173.4906       207.5947 268.6704       154.0696 83.84753 33.75354 95.36830 30.16930 -11.52077      45.27127 
1 1 1 -14 -11 22 o 95.95191 21.15737 253.2954       94.44196 571.7864       216.1562 178.1527       104.9935 133.6026 33.81637 79.19280 24.88561 54.40981       41.98619 
1 1 1 -14 -11 23 o 55.85973 24.63891 10.55808       128.4997 -234.4904      217.0358 142.8225       159.4509 54.43670 26.44445 74.42518 29.71083 -19.98848      39.77489 
1 1 1 -14 -10 1  o 179.9604 10.29575 781.9741       88.21192 831.1302       129.9622 739.9818       120.1194 184.5782 14.85277 174.1681 14.55874 10.41002       20.79812 
1 1 1 -14 -10 2  o 322.9272 10.07228 2511.802       155.3136 2597.023       189.3274 2336.437       271.5886 327.8187 12.10089 308.6724 18.48844 19.14633       22.09647 
1 1 1 -14 -10 3  o 141.4422 12.48846 486.8321       83.58269 321.3303       137.3979 584.0568       105.3093 111.3103 26.24846 154.6012 14.41383 -43.29082      29.94562 
1 1 1 -14 -10 4  o 133.7744 12.09345 435.4323       76.51033 296.5800       111.5565 558.7543       105.1329 107.7187 22.39322 151.0933 14.74135 -43.37462      26.80977 
1 1 1 -14 -10 5  o 227.0043 11.55758 1246.449       125.0195 1186.759       183.8133 1297.830       170.5404 219.7736 17.64224 230.5643 15.56247 -10.79074      23.52529 
1 1 1 -14 -10 6  o 166.6306 11.46130 673.0949       90.74935 649.3655       145.0134 688.3701       116.3477 161.6591 19.13335 167.7907 14.65059 -6.131638      24.09823 
1 1 1 -14 -10 7  o 141.8925 14.62801 493.8200       97.81178 469.5336       189.2317 502.6743       114.2591 133.2888 30.37453 142.5202 17.11069 -9.231369      34.86242 
1 1 1 -14 -10 8  o 387.5137 11.93410 3632.888       220.8347 3487.697       261.6424 3992.519       411.7806 378.6199 14.48097 400.9510 21.56088 -22.33105      25.97249 
1 1 1 -14 -10 9  o 53.98745 20.44642 53.54109       72.45436 32.76411       104.4764 72.79237       100.5673 57.52417 23.64872 62.93717 24.02876 -5.412998      33.71415 
1 1 1 -14 -10 10 o 158.5004 12.31366 611.8075       92.57806 442.6071       148.9735 718.2618       118.1654 130.8461 24.72010 171.2124 14.57440 -40.36627      28.69663 
1 1 1 -14 -10 11 o 263.7090 9.859176 1678.905       124.0819 1500.470       231.2215 1751.074       147.0490 245.5826 19.86283 268.8620 11.46628 -23.27937      22.93485 
1 1 1 -14 -10 12 o 199.1045 12.04156 963.2457       114.0874 964.4713       183.4952 962.4733       145.6647 196.5726 19.79434 197.9758 15.51365 -1.403229      25.14934 
1 1 1 -14 -10 13 o 99.30558 23.34411 256.7452       108.9492 202.1195       231.3161 272.3179       123.5063 95.76939 36.47163 101.8152 25.44554 -6.045761      44.47083 
1 1 1 -14 -10 14 o 146.8499 15.65173 533.6107       108.1949 460.7617       173.4365 580.0229       138.4346 131.4755 28.42192 151.8027 19.52638 -20.32718      34.48312 
1 1 1 -14 -10 15 o 71.38129 24.28199 123.5602       99.07038 629.7686       157.5078 -207.8045      127.4355 157.0059 21.55159 41.50778 20.18659 115.4981       29.52913 
1 1 1 -14 -10 16 f 291.6063 11.82623 2070.585       164.5318 2123.366       318.1701 2051.319       192.2294 287.8873 23.31622 289.2164 13.94344 -1.329132      27.16736 
1 1 1 -14 -10 17 o 396.3826 16.00128 3887.322       302.6106 3956.929       444.9890 3827.438       412.7401 391.9466 23.86033 387.1135 22.39692 4.833099       32.72518 
1 1 1 -14 -10 18 o 128.1251 14.99313 409.7881       90.10588 589.4612       192.6711 359.4907       101.9407 147.0504 28.43436 118.5580 18.59609 28.49249       33.97540 
1 1 1 -14 -10 19 o 127.6845 19.99899 423.4273       118.0781 554.6871       237.1237 380.1479       136.1602 135.8248 35.95730 118.4111 24.84565 17.41367       43.70622 
1 1 1 -14 -10 20 o 129.6888 17.08087 430.6870       103.3339 818.5627       400.9063 403.0845       106.9475 147.4637 48.83331 124.7081 18.49753 22.75552       52.21926 
1 1 1 -14 -10 21 o 107.3406 20.94909 308.9819       103.6468 789.8570       345.2469 261.3494       108.6589 147.7588 44.90636 97.20668 23.61699 50.55209       50.73799 
1 1 1 -14 -10 22 o 175.6978 19.56978 814.0234       161.5976 586.6154       377.4984 865.0451       178.8092 120.2589 46.39046 179.7464 21.21591 -59.48752      51.01167 
1 1 1 -14 -10 23 o 108.2842 22.42805 328.6401       112.2859 1006.942       396.9475 269.6435       117.0672 151.3576 48.48781 96.02460 25.19119 55.33303       54.64123 
1 1 1 -14 -9  1  o 188.0332 10.53861 853.8102       94.35936 796.4942       136.1615 906.7690       130.8835 180.4016 15.95142 192.9969 14.28618 -12.59537      21.41361 
1 1 1 -14 -9  2  o 189.5042 9.596092 865.7858       86.65742 918.1646       140.6096 833.7067       110.0394 193.9350 15.28885 185.4037 12.48710 8.531311       19.74023 
1 1 1 -14 -9  3  o 162.5750 11.25431 640.0840       86.93446 625.5715       145.0830 648.2137       108.5873 158.6724 19.53728 163.0228 14.06983 -4.350403      24.07625 
1 1 1 -14 -9  4  o 57.47075 20.48681 70.68443       70.96552 28.66732       134.0742 87.03728       83.64288 63.43866 26.49671 63.00013 22.26300 0.4385262      34.60804 
1 1 1 -14 -9  5  o 234.4244 10.08212 1325.258       112.7318 1247.216       193.9232 1365.093       138.5467 225.1898 18.16651 237.4388 12.24633 -12.24898      21.90878 
1 1 1 -14 -9  6  o 233.5367 10.17465 1315.798       113.3286 1484.278       200.9348 1237.203       137.2399 246.0395 17.19027 225.8428 12.76252 20.19670       21.40998 
1 1 1 -14 -9  7  o 202.8939 10.99516 995.6639       106.2559 1029.218       183.3862 978.7065       130.3696 203.9761 19.02465 200.5138 13.68149 3.462326       23.43332 
1 1 1 -14 -9  8  o 499.3638 11.46483 6020.523       273.7116 6051.611       308.0576 5903.963       596.5017 499.8330 12.90214 484.2197 25.86062 15.61337       28.90047 
1 1 1 -14 -9  9  o 184.8115 11.29138 827.8039       99.29026 775.4933       153.8354 865.1555       129.9920 176.8262 18.46908 188.1100 14.56773 -11.28386      23.52287 
1 1 1 -14 -9  10 o 148.3864 11.97777 536.0576       84.25095 610.1263       139.4344 493.4647       105.7357 156.3347 19.04824 141.3343 15.92515 15.00044       24.82833 
1 1 1 -14 -9  11 o 233.6353 11.35108 1322.659       126.4103 1413.097       231.4122 1284.196       150.9163 237.9607 20.54193 229.4600 13.82098 8.500717       24.75864 
1 1 1 -14 -9  12 o 191.0470 12.14556 887.5744       110.3600 1141.191       181.2236 738.0834       139.1340 214.7517 17.81109 172.6732 17.07728 42.07845       24.67526 
1 1 1 -14 -9  13 o 346.5616 9.477586 2896.808       156.8840 3224.343       295.7573 2768.563       185.0664 362.0489 17.13539 338.0998 11.46576 23.94904       20.61760 
1 1 1 -14 -9  14 o 237.4459 12.81857 1372.984       144.9771 1394.778       229.6237 1358.538       186.9507 235.9851 20.55777 234.6662 16.77420 1.318909       26.53291 
1 1 1 -14 -9  15 o 238.4819 13.26232 1389.374       150.6154 1242.415       238.7826 1486.477       194.0983 220.7979 22.95504 245.2052 16.65594 -24.40730      28.36114 
1 1 1 -14 -9  16 o 177.4571 15.28749 779.0823       128.4363 1196.866       289.5084 676.7088       143.3110 211.6698 29.40110 163.9617 18.61108 47.70811       34.79651 
1 1 1 -14 -9  17 o 175.2215 14.59248 758.9570       121.1347 784.8729       239.4029 750.0386       140.4393 169.3654 30.69624 173.0884 17.19845 -3.723068      35.18588 
1 1 1 -14 -9  18 o 99.39050 18.19558 253.5917       83.27557 151.6757       219.2254 270.7776       90.02347 86.67087 34.75676 102.4625 19.07921 -15.79162      39.64907 
1 1 1 -14 -9  19 o 38.08061 17.20543 -30.11295      66.75598 -163.5378      221.6078 -16.79737      70.00785 61.97142 29.15221 40.86474 18.09797 21.10667       34.31309 
1 1 1 -14 -9  20 o 68.27121 25.57487 106.7624       112.6732 -16.43374      233.4498 144.1757       128.6494 71.79018 32.32890 75.81757 27.51312 -4.027397      42.45149 
1 1 1 -14 -9  21 o 194.4923 13.58054 943.3679       125.4846 1491.915       245.2758 748.8872       146.0448 237.4552 21.85035 170.3800 18.21120 67.07520       28.44443 
1 1 1 -14 -9  22 o 179.4625 20.21287 850.3475       170.4116 1123.090       388.5280 785.3797       189.6247 174.6541 45.92797 169.1576 24.13065 5.496536       51.88128 
1 1 1 -14 -9  23 o 91.28750 25.37838 243.1408       114.7507 509.9579       392.4304 218.1938       119.9953 109.7097 45.53712 86.06973 26.53498 23.64001       52.70422 
1 1 1 -14 -9  24 o 51.05927 24.49250 -154.0428      172.3590 -447.2861      535.5475 -120.1593      182.0447 75.14401 37.43236 54.47322 25.86180 20.67080       45.49741 
1 1 1 -14 -8  1  o 275.8116 8.260484 1827.995       108.8020 1826.844       165.7495 1828.867       144.2246 274.7640 12.65177 275.3286 10.97871 -0.5645142     16.75110 
1 1 1 -14 -8  2  o 33.19027 13.40076 11.75927       32.82827 36.29523       68.65332 4.486080       37.37856 49.87747 19.62722 33.28915 13.95322 16.58832       24.08153 
1 1 1 -14 -8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -8  4  o 105.7105 12.49383 273.5743       61.92372 182.3857       106.8914 319.6363       75.97031 84.69395 24.81000 114.0061 14.24847 -29.31213      28.61040 
1 1 1 -14 -8  5  o 160.2674 11.12536 622.1501       84.71559 652.6506       137.1427 603.3309       107.7259 162.5154 17.94976 157.0913 14.50746 5.424042       23.07943 
1 1 1 -14 -8  6  o 153.7541 11.45618 573.4436       83.60691 619.1932       128.8042 540.1329       109.9075 158.3914 17.28987 148.2285 15.74995 10.16295       23.38804 
1 1 1 -14 -8  7  o 270.9403 12.13258 1777.326       156.7588 1858.339       230.1093 1707.173       214.1328 275.1673 17.58358 263.8959 17.06383 11.27139       24.50218 
1 1 1 -14 -8  8  o 211.1900 11.50361 1080.025       115.7106 1089.814       176.1934 1072.601       153.4359 210.3339 17.68517 209.3931 15.43546 0.9408112      23.47379 
1 1 1 -14 -8  9  o 233.9691 10.65102 1323.073       118.8277 1254.345       210.3869 1355.267       143.9945 224.8009 19.77688 236.2348 12.79729 -11.43390      23.55622 
1 1 1 -14 -8  10 o 294.5712 12.04319 2102.930       169.2479 2283.033       241.3882 1928.778       237.3678 305.0972 16.61157 279.8095 17.83684 25.28772       24.37411 
1 1 1 -14 -8  11 o 126.9969 15.50186 399.1396       92.17239 271.1783       148.1347 479.9780       117.7407 101.3251 29.06798 138.6054 18.20786 -37.28033      34.29976 
1 1 1 -14 -8  12 o 297.0391 12.67655 2143.984       179.6069 2366.471       268.3340 1963.402       241.7467 309.4682 18.21698 281.8879 18.03264 27.58029       25.63268 
1 1 1 -14 -8  13 f 352.0193 14.58122 3025.747       244.8654 3036.859       359.8436 3016.165       334.1644 348.2616 21.72037 348.1565 20.16226 0.1051636      29.63598 
1 1 1 -14 -8  14 o 74.24055 19.37641 141.4929       69.49426 135.9012       154.5402 142.9102       77.80476 79.83500 29.94249 74.64347 20.95094 5.191528       36.54442 
1 1 1 -14 -8  15 o 140.5431 14.86269 488.0760       98.35423 435.4388       299.1620 494.4549       104.1434 123.9492 42.19492 141.2092 15.69087 -17.26004      45.01794 
1 1 1 -14 -8  16 o 136.5968 13.79721 460.4510       88.86945 1083.206       211.0554 326.2400       97.97879 206.1832 21.73764 113.1494 18.76961 93.03376       28.71974 
1 1 1 -14 -8  17 o 100.6822 17.31011 257.9167       80.31922 302.2393       213.8547 250.6378       86.66383 104.7432 35.67487 98.63386 19.06812 6.109322       40.45107 
1 1 1 -14 -8  18 o 170.9399 15.22480 726.0128       123.1231 972.4698       244.7749 642.5342       142.4569 190.4934 27.68686 159.0071 19.12288 31.48637       33.64887 
1 1 1 -14 -8  19 o 169.5846 15.96220 719.3939       127.8938 933.6868       218.5004 607.7137       157.7381 187.8392 24.94710 152.5980 22.27790 35.24121       33.44641 
1 1 1 -14 -8  20 o 108.7593 19.62243 309.6537       98.27672 346.6400       208.7456 299.1212       111.3943 107.5541 35.21933 105.3799 22.77578 2.174179       41.94207 
1 1 1 -14 -8  21 o 127.2251 26.45834 454.4316       155.6808 957.9376       362.5663 340.6144       172.3809 164.8175 44.83333 106.6795 31.57478 58.13802       54.83607 
1 1 1 -14 -8  22 o 109.4290 21.76676 325.4200       109.8678 -66.26826      336.3289 372.2108       116.2451 77.78909 36.37512 117.3764 21.50735 -39.58734      42.25773 
1 1 1 -14 -8  23 o 97.75462 31.57081 300.5323       168.0491 225.7757       374.0193 319.4411       188.1052 92.43290 41.32701 99.41969 33.46097 -6.986786      53.17479 
1 1 1 -14 -8  24 o 211.8298 17.26587 1178.326       173.3421 1337.972       423.7629 1146.245       189.9619 174.6027 48.85419 206.4462 19.47667 -31.84341      52.59347 
1 1 1 -14 -7  1  o 213.1983 8.764285 1093.703       89.14186 1007.408       150.9180 1139.941       110.4721 203.1238 15.66160 217.3282 10.66489 -14.20439      18.94797 
1 1 1 -14 -7  2  o 55.05053 14.25472 76.14185       37.81009 64.55273       57.37574 85.03793       50.26929 53.67803 18.47287 58.47945 16.98102 -4.801422      25.09188 
1 1 1 -14 -7  3  o 335.1831 7.786651 2696.554       124.7789 2776.425       192.2144 2638.380       164.0430 338.9972 11.87827 330.8666 10.38327 8.130585       15.77674 
1 1 1 -14 -7  4  o 219.8574 9.629642 1164.996       100.9729 1144.195       174.7789 1175.416       123.7055 216.0065 17.06291 220.3951 11.78312 -4.388641      20.73607 
1 1 1 -14 -7  5  f 227.0153 9.717211 1242.296       105.2202 1029.528       181.4606 1350.072       129.1486 204.2234 18.79594 236.2961 11.46630 -32.07265      22.01735 
1 1 1 -14 -7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -7  7  o 179.9410 11.41715 784.5427       97.71264 697.6952       151.7805 846.0124       127.6932 167.5239 19.30345 186.1489 14.46162 -18.62498      24.11974 
1 1 1 -14 -7  8  o 266.9383 12.70705 1728.294       161.7020 1574.522       239.5230 1857.066       219.1896 252.0497 20.04201 275.2914 16.73304 -23.24168      26.10894 
1 1 1 -14 -7  9  o 201.5885 11.64054 985.0942       111.7111 1073.828       214.9871 952.2746       130.7482 206.9268 22.07170 197.5982 13.92952 9.328613       26.09965 
1 1 1 -14 -7  10 o 83.86172 20.40641 180.6909       81.02785 -27.81138      130.4677 311.6095       103.3828 56.11509 24.78594 110.6889 20.28325 -54.57383      32.02738 
1 1 1 -14 -7  11 o 137.6748 16.20957 469.6248       104.6503 491.1479       228.3004 463.8994       117.7497 133.6495 35.23533 136.0857 18.58332 -2.436142      39.83552 
1 1 1 -14 -7  12 o 180.5482 12.45596 794.0724       106.8584 757.8196       180.2002 813.7348       132.7098 172.8578 22.32600 181.8939 15.40552 -9.036057      27.12527 
1 1 1 -14 -7  13 o 89.16420 23.39563 207.1291       100.9617 438.8176       272.9173 170.3950       108.6711 125.2455 40.21334 81.67640 25.26425 43.56915       47.49100 
1 1 1 -14 -7  14 o 237.4450 11.31130 1367.534       128.0364 1211.762       250.9367 1422.360       148.8733 217.7157 24.53502 241.6359 12.93399 -23.92017      27.73545 
1 1 1 -14 -7  15 o 64.50830 23.35094 91.01224       92.59385 18.51741       190.0344 113.5814       106.0319 71.33994 30.73058 70.42598 25.04867 0.9139633      39.64599 
1 1 1 -14 -7  16 o 181.7296 13.69327 811.3550       118.0958 878.6156       233.5620 788.2527       136.8829 182.0656 27.70535 178.1359 16.25150 3.929733       32.12006 
1 1 1 -14 -7  17 o 58.43271 24.53216 27.76897       115.8339 -59.82375      298.5513 43.29123       125.6789 79.74578 36.17244 62.29168 25.80510 17.45410       44.43364 
1 1 1 -14 -7  18 o 73.17712 22.96080 138.0599       89.41304 210.9654       310.9037 131.4863       93.35706 99.19214 40.78889 72.00059 23.55155 27.19155       47.09999 
1 1 1 -14 -7  19 o 274.1302 13.49864 1849.720       176.3671 1576.020       356.1992 1938.614       202.9972 237.7738 32.15793 279.5531 15.24630 -41.77930      35.58907 
1 1 1 -14 -7  20 o 64.59545 27.06850 50.04377       140.6159 -78.62996      310.9853 83.11212       157.6526 77.58546 35.83112 70.87830 29.08484 6.707161       46.14972 
1 1 1 -14 -7  21 o 72.73730 24.17420 140.3502       98.22322 586.2841       289.5376 82.35567       104.4151 131.0375 41.34574 62.82923 24.35435 68.20828       47.98545 
1 1 1 -14 -7  22 o 112.8567 28.50932 373.5378       153.8480 652.3569       307.5169 280.4536       177.6828 134.4567 42.63366 96.09667 32.52070 38.35999       53.62112 
1 1 1 -14 -7  23 o 187.3228 16.60338 905.3052       147.1562 1228.790       334.7567 827.8220       163.8350 192.7273 37.68193 176.4465 19.76065 16.28081       42.54892 
1 1 1 -14 -7  24 o 72.09086 26.09350 145.6173       115.6182 138.3890       413.0666 146.2317       120.4321 86.05457 40.26346 72.36783 26.56412 13.68674       48.23690 
1 1 1 -14 -6  1  o 354.3607 6.926546 3011.114       117.3467 3078.530       160.7475 2934.199       171.6998 357.7131 9.407586 348.9975 10.30184 8.715637       13.95101 
1 1 1 -14 -6  2  o 108.4058 10.15147 285.2757       52.00063 319.5143       98.31915 271.9785       61.27188 112.8586 18.88891 105.4246 12.39298 7.433945       22.59152 
1 1 1 -14 -6  3  f 207.7734 7.792602 1037.674       77.26992 1167.995       119.8731 945.0306       101.0696 219.7720 11.44829 197.7694 10.72958 22.00258       15.69036 
1 1 1 -14 -6  4  o 101.0844 12.02714 250.0814       56.98555 10.50026       122.9645 315.6091       64.30813 58.90538 25.02941 113.7215 12.00927 -54.81607      27.76138 
1 1 1 -14 -6  5  o 228.1253 10.13864 1255.538       110.2999 1456.296       162.5231 1084.111       150.1821 244.7521 13.94704 210.7691 15.00206 33.98291       20.48369 
1 1 1 -14 -6  6  o 99.51612 13.70992 244.2843       63.49697 135.3145       162.2379 263.9957       69.00133 81.51705 30.65675 103.3783 14.34731 -21.86121      33.84792 
1 1 1 -14 -6  7  o 308.1113 9.155461 2285.686       134.7144 2562.492       235.0125 2150.219       164.4063 324.2473 15.20257 298.1973 11.55391 26.05002       19.09479 
1 1 1 -14 -6  8  o 169.8955 26.31029 741.4514       206.8027 741.4514       206.8027 0.000000       0.000000 169.8955 26.31029 ?        ?        0.000000       26.31029 
1 1 1 -14 -6  9  o 205.7783 10.87971 1024.726       106.6545 915.6823       183.5611 1080.300       131.0442 191.5554 20.35498 210.7390 13.07096 -19.18365      24.19039 
1 1 1 -14 -6  10 o 314.5789 9.720529 2387.063       146.0180 2562.693       262.8358 2308.660       175.6112 322.9677 17.08301 308.6638 11.92273 14.30396       20.83221 
1 1 1 -14 -6  11 o 152.4906 12.84231 568.0031       92.75632 672.9379       184.2687 532.3903       107.3484 161.8642 24.58383 146.8711 15.52260 14.99310       29.07431 
1 1 1 -14 -6  12 o 191.3026 12.09346 890.3513       110.0402 990.6890       213.3931 854.0051       128.4334 197.5369 23.02690 186.6270 14.50834 10.90985       27.21636 
1 1 1 -14 -6  13 o 408.5849 9.604966 4026.549       187.6232 4230.987       361.6108 3951.239       219.4775 413.6187 18.33214 403.8667 11.37828 9.751984       21.57621 
1 1 1 -14 -6  14 o 51.10592 20.89944 27.72781       81.05186 150.7751       151.1455 -21.93853      96.02631 81.49919 29.78453 48.14679 21.26538 33.35241       36.59692 
1 1 1 -14 -6  15 o 157.1956 12.87525 604.8644       95.91475 732.6880       185.6604 558.3300       112.0214 168.7995 23.65428 150.0757 15.85211 18.72375       28.47480 
1 1 1 -14 -6  16 o 249.3293 13.46191 1522.479       159.8729 1465.413       255.6411 1559.133       204.8811 239.4918 22.59410 250.4398 17.21633 -10.94803      28.40590 
1 1 1 -14 -6  17 o 88.17558 25.65045 207.3812       114.6070 334.7836       189.8523 134.3360       143.7550 109.1622 33.32542 77.27596 28.90014 31.88622       44.11124 
1 1 1 -14 -6  18 o 169.8594 15.44141 718.4224       124.0272 823.3459       185.1641 633.0383       167.0355 178.3369 22.19643 155.5752 23.16266 22.76169       32.08100 
1 1 1 -14 -6  19 o 156.7574 14.84780 611.9932       109.9489 317.9044       186.5967 768.4046       136.0815 105.5020 33.17875 175.0311 16.45508 -69.52911      37.03511 
1 1 1 -14 -6  20 o 77.08955 26.50042 154.5056       118.0666 113.6610       170.5399 192.1018       163.6180 75.94022 30.58515 85.50514 31.02795 -9.564919      43.56816 
1 1 1 -14 -6  21 o 87.63554 27.05953 216.9753       124.7290 248.6460       186.0328 191.1123       168.1123 92.58978 33.15149 84.26620 31.30397 8.323570       45.59561 
1 1 1 -14 -6  22 o 72.54749 24.63103 141.4381       101.9333 367.8246       296.8972 111.1870       108.5303 104.4667 40.90350 67.52848 25.13947 36.93825       48.01134 
1 1 1 -14 -6  23 o 125.3529 21.09648 427.3102       121.9456 372.0934       316.1699 436.9599       132.1723 101.9712 41.43612 125.5088 22.86947 -23.53751      47.32826 
1 1 1 -14 -6  24 o 70.30437 29.97663 98.37350       177.4456 -39.78238      541.5251 114.9920       187.8149 84.48374 41.20425 72.75463 30.92440 11.72911       51.51805 
1 1 1 -14 -5  1  o 186.0005 6.771289 830.6444       60.11301 846.2213       79.98468 810.4258       91.12608 187.4339 8.951738 183.1633 10.44965 4.270660       13.75968 
1 1 1 -14 -5  2  o 221.1270 7.759634 1175.131       81.90636 1258.884       132.4227 1123.236       104.2374 228.0044 12.19251 215.7741 10.13283 12.23030       15.85344 
1 1 1 -14 -5  3  o 153.3600 8.728514 567.0187       63.73292 631.8884       117.0132 539.6576       75.99429 160.5465 15.43490 149.2761 10.71973 11.27042       18.79225 
1 1 1 -14 -5  4  o 197.0065 10.28571 937.2727       96.54201 946.5094       142.9901 929.5349       130.8749 196.7758 15.32002 195.3205 14.11035 1.455292       20.82798 
1 1 1 -14 -5  5  o 92.52557 10.06958 208.5364       43.82550 390.0515       88.52524 149.6066       50.44037 125.8632 15.00686 77.38511 14.15512 48.47810       20.62943 
1 1 1 -14 -5  6  o 224.5413 8.792234 1214.039       94.20277 1414.685       175.2910 1132.558       111.7043 240.7043 15.31175 216.4534 10.82876 24.25099       18.75397 
1 1 1 -14 -5  7  o 114.6350 12.14650 321.1632       65.55808 408.3162       157.4739 302.8916       72.10347 125.0052 27.13000 110.9079 13.90299 14.09740       30.48491 
1 1 1 -14 -5  8  o 295.6146 9.771935 2107.302       137.9169 1774.998       262.0173 2234.655       162.2059 267.2114 20.67065 304.0208 11.17880 -36.80939      23.49981 
1 1 1 -14 -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -5  10 o 176.5319 12.43041 758.7272       104.2393 1074.633       201.7340 643.6587       121.7526 207.2414 20.63467 161.5408 15.97366 45.70058       26.09497 
1 1 1 -14 -5  11 o 155.8351 13.57545 594.7426       100.1327 798.9099       259.6522 559.0745       108.5274 172.2389 32.72826 150.5696 15.28798 21.66922       36.12286 
1 1 1 -14 -5  12 o 178.1403 11.62937 771.7241       98.50222 857.2953       181.1016 735.7740       117.3839 184.4596 20.90392 173.1660 14.30626 11.29361       25.33067 
1 1 1 -14 -5  13 o 232.7834 12.41614 1318.845       137.6807 1366.462       224.7690 1290.250       174.1830 233.5378 20.33378 228.8918 16.01833 4.645966       25.88532 
1 1 1 -14 -5  14 o 374.3275 15.02932 3431.975       268.4205 3542.711       397.0548 3338.772       364.2686 375.0393 22.24439 365.0965 20.95725 9.942780       30.56173 
1 1 1 -14 -5  15 o 114.8505 18.73547 334.7863       99.33088 141.4086       146.1862 500.6433       135.3849 79.28448 29.23892 140.1320 20.84155 -60.84756      35.90661 
1 1 1 -14 -5  16 o 257.4857 11.81223 1615.438       145.0224 1492.711       244.0813 1682.403       180.2976 242.4073 21.27669 261.5490 14.47523 -19.14175      25.73383 
1 1 1 -14 -5  17 o 157.0942 13.73934 609.2213       102.1517 777.1176       176.8455 525.1498       125.1404 173.7320 21.76800 143.8548 18.63284 29.87721       28.65359 
1 1 1 -14 -5  18 o 99.22729 19.07369 255.0546       87.19813 283.5131       168.8095 244.6979       101.8362 100.7263 31.54091 95.89929 22.58662 4.827003       38.79413 
1 1 1 -14 -5  19 o 94.60227 28.13914 247.0659       136.6369 75.80765       270.3142 305.8402       158.3569 83.99250 36.41642 104.1626 30.10744 -20.17009      47.25054 
1 1 1 -14 -5  20 o 49.90059 21.27887 12.43975       89.42765 52.99330       271.6472 7.510509       94.70676 81.09375 35.79428 50.47982 21.71900 30.61393       41.86819 
1 1 1 -14 -5  21 f 73.85258 29.72668 115.5645       160.9973 515.0543       490.2912 67.28247       170.4489 116.0932 49.67300 69.59210 29.51527 46.50110       57.78025 
1 1 1 -14 -5  22 o 198.7325 17.54059 1020.282       164.9472 1480.693       528.4289 970.5789       173.6224 180.3721 55.69720 192.4749 19.12044 -12.10271      58.88777 
1 1 1 -14 -5  23 o 121.0686 28.77069 441.4444       164.0595 613.9789       321.5003 380.6982       190.7668 123.8452 43.65790 107.9587 33.48680 15.88644       55.02161 
1 1 1 -14 -5  24 o 49.36515 21.57525 9.071595       96.49800 -105.1049      182.0033 53.71869       113.8119 55.13851 26.08366 57.97329 24.32677 -2.834778      35.66720 
1 1 1 -14 -4  1  o 50.36396 17.02538 57.88942       48.69844 57.88942       48.69844 0.000000       0.000000 50.36396 17.02538 ?        ?        0.000000       17.02538 
1 1 1 -14 -4  2  o 203.5723 7.957173 996.6125       77.29451 1040.926       127.8678 971.0966       97.02877 207.0416 12.98335 200.5670 10.15190 6.474625       16.48116 
1 1 1 -14 -4  3  o 321.0307 7.529409 2473.742       115.5622 2568.441       179.8707 2407.176       150.8039 326.0146 11.55853 316.0350 9.993446 9.979553       15.27968 
1 1 1 -14 -4  4  o 159.7585 8.754365 615.3733       66.60917 635.2582       126.7471 607.7860       78.29224 160.5426 16.76009 158.4906 10.38983 2.051987       19.71925 
1 1 1 -14 -4  5  o 165.1534 8.503057 657.2653       66.91237 805.0609       136.1649 610.2134       76.82863 181.1487 15.88305 158.8370 10.17071 22.31168       18.86040 
1 1 1 -14 -4  6  o 202.3138 8.841616 986.2344       85.31309 843.8423       157.1601 1045.724       101.5832 184.7517 18.02169 208.0602 10.24381 -23.30850      20.72962 
1 1 1 -14 -4  7  o 204.0778 10.81195 1007.725       105.1128 1115.477       169.7611 940.7296       133.8592 212.9779 16.80846 196.2447 14.36686 16.73323       22.11178 
1 1 1 -14 -4  8  o 191.2732 9.363297 883.0126       85.36298 823.3820       157.3696 907.8730       101.6109 182.2218 18.31191 193.5991 11.02369 -11.37730      21.37400 
1 1 1 -14 -4  9  o 400.2659 8.543554 3854.305       163.4916 3598.818       267.7829 4006.135       206.4322 384.1696 14.60641 407.2375 10.61186 -23.06793      18.05433 
1 1 1 -14 -4  10 o 82.77698 21.87314 177.1020       87.84911 60.51321       228.4672 197.3307       95.16557 81.27005 34.30544 87.20880 22.63165 -5.938751      41.09811 
1 1 1 -14 -4  11 o 162.5991 11.41622 643.0007       88.18204 608.1520       148.3700 662.0338       109.6498 155.2019 20.49644 164.2742 14.09763 -9.072342      24.87664 
1 1 1 -14 -4  12 o 228.5710 12.05612 1270.528       131.2800 1231.665       202.9956 1298.468       172.1180 222.1124 19.30803 229.7033 15.76860 -7.590927      24.92887 
1 1 1 -14 -4  13 f 223.8035 11.00816 1215.027       117.4236 1132.981       201.1060 1257.467       144.6401 212.5528 20.02619 226.9029 13.39295 -14.35008      24.09189 
1 1 1 -14 -4  14 o 74.37420 23.03556 140.4912       90.30984 5.927097       136.8136 244.3992       120.2235 60.56264 26.08128 96.09176 25.67883 -35.52912      36.60103 
1 1 1 -14 -4  15 o 157.7681 16.67042 620.0012       123.8409 307.6184       240.0144 733.3403       144.5718 107.0956 37.72437 171.2014 17.92871 -64.10579      41.76801 
1 1 1 -14 -4  16 o 61.93367 25.61374 43.74961       123.5364 -98.76333      389.9108 59.65175       130.2465 87.63839 40.34686 65.16223 26.55171 22.47616       48.29972 
1 1 1 -14 -4  17 f 222.3172 15.37905 1226.024       162.4524 1492.678       428.3513 1181.228       175.5685 222.4989 41.80281 217.3108 17.03490 5.188110       45.14048 
1 1 1 -14 -4  18 o 393.3568 11.70806 3779.109       219.9360 4310.807       481.3984 3638.852       247.2486 405.2868 24.96588 384.6648 13.46521 20.62201       28.36560 
1 1 1 -14 -4  19 o 178.6282 15.79854 799.2879       133.5301 697.7759       297.6157 824.8726       149.4128 148.7830 40.68051 180.5498 17.52978 -31.76678      44.29670 
1 1 1 -14 -4  20 o 105.2040 24.54133 304.7261       121.1629 184.1815       172.0253 423.3969       170.6831 84.28230 31.59505 121.1559 29.70046 -36.87361      43.36317 
1 1 1 -14 -4  21 o 160.8122 17.25217 665.6014       130.5677 350.1237       287.9417 747.2600       146.4945 103.6084 40.36436 169.7092 18.34675 -66.10074      44.33831 
1 1 1 -14 -4  22 o 113.3423 25.23851 365.9594       133.2491 486.2502       186.9933 241.8652       189.9265 125.9569 31.21247 89.73327 33.28467 36.22368       45.62990 
1 1 1 -14 -4  23 o 146.1231 17.50343 560.6999       119.8485 281.0046       201.4654 713.8934       149.1002 92.86932 34.31135 163.4115 19.46707 -70.54222      39.44915 
1 1 1 -14 -4  24 o 122.0175 29.25178 470.5389       168.4244 204.3575       320.4153 572.1646       197.9822 84.65420 38.01896 132.0446 31.75280 -47.39043      49.53465 
1 1 1 -14 -3  1  o 198.0133 8.341401 943.6956       78.78942 943.6956       78.78942 0.000000       0.000000 198.0133 8.341401 ?        ?        0.000000       8.341401 
1 1 1 -14 -3  2  o 122.2155 10.47868 362.5349       60.63643 362.5349       60.63643 0.000000       0.000000 122.2155 10.47868 ?        ?        0.000000       10.47868 
1 1 1 -14 -3  3  o 322.4356 7.352219 2495.371       113.3365 2754.799       175.7294 2310.604       148.3024 337.7903 10.89576 309.5677 10.03363 28.22266       14.81186 
1 1 1 -14 -3  4  o 147.0728 8.630684 521.7749       60.41890 595.7527       120.0782 496.6966       69.91377 155.4630 16.40278 143.2080 10.27983 12.25507       19.35784 
1 1 1 -14 -3  5  o 98.06585 10.27472 234.2758       47.45786 368.5403       119.2401 209.0043       51.73172 120.3512 21.51319 92.23053 12.01758 28.12071       24.64223 
1 1 1 -14 -3  6  o 99.63429 11.18473 242.6435       52.35854 165.0674       132.9662 256.8797       56.96052 82.64220 28.13056 102.4164 11.85157 -19.77422      30.52520 
1 1 1 -14 -3  7  o 208.6370 8.876852 1049.328       88.34154 1080.901       172.6472 1038.129       102.8218 209.3136 17.41005 207.1929 10.41350 2.120712       20.28671 
1 1 1 -14 -3  8  o 193.5175 9.200422 903.8196       84.87717 879.5451       159.0276 913.4890       100.3683 188.4305 17.86621 194.1918 10.85398 -5.761230      20.90479 
1 1 1 -14 -3  9  o 131.7926 10.91775 422.5415       68.17442 506.0363       128.3782 389.7472       80.45655 141.8691 19.43816 125.9305 13.57792 15.93861       23.71080 
1 1 1 -14 -3  10 o 155.9629 11.51904 592.0310       85.28455 609.0110       205.7390 588.5079       93.71551 151.2730 29.50773 155.1874 12.74342 -3.914398      32.14189 
1 1 1 -14 -3  11 o 122.2134 16.16818 372.2643       92.15351 393.9863       317.5739 370.2671       96.29697 120.2105 43.28073 121.6151 17.02818 -1.404579      46.51000 
1 1 1 -14 -3  12 o 148.7729 44.64406 661.6680       342.7713 661.6680       342.7713 0.000000       0.000000 148.7729 44.64406 ?        ?        0.000000       44.64406 
1 1 1 -14 -3  13 o 112.9358 20.29477 326.5380       105.5506 315.0902       217.8546 330.0496       120.6580 108.0541 36.00461 112.5378 23.19732 -4.483749      42.83045 
1 1 1 -14 -3  14 o 166.9163 14.04871 685.0361       111.0702 624.8413       238.1407 701.7710       125.5639 149.9501 34.00406 168.3534 15.78444 -18.40326      37.48900 
1 1 1 -14 -3  15 o 209.3329 14.76854 1080.279       146.8544 913.0756       327.5717 1122.337       164.2893 176.6720 39.74670 212.7034 16.27944 -36.03139      42.95137 
1 1 1 -14 -3  16 f 119.4415 17.16807 361.0941       95.22257 54.69595       231.1488 423.7196       104.5018 78.95057 33.94925 129.4921 17.31344 -50.54148      38.10915 
1 1 1 -14 -3  17 o 251.3799 13.53638 1555.713       162.0827 1273.181       245.7356 1773.281       215.6408 220.8673 23.63893 266.2202 17.03199 -45.35298      29.13567 
1 1 1 -14 -3  18 f 331.6347 10.62955 2678.935       168.3146 2598.403       335.9133 2705.932       194.4913 316.7628 22.32416 332.2827 12.26394 -15.51987      25.47101 
1 1 1 -14 -3  19 o 69.31721 27.53491 92.40131       136.2879 39.23608       255.0842 113.6411       161.2295 78.80032 34.73790 75.02599 29.90082 3.774338       45.83428 
1 1 1 -14 -3  20 o 126.8550 17.24498 414.2021       101.8816 624.5279       175.2112 306.7588       125.2291 150.7737 25.19519 104.7470 25.29471 46.02669       35.70182 
1 1 1 -14 -3  21 o 94.85295 30.71507 271.2727       158.9975 369.2897       413.5843 254.2743       172.2335 104.3380 45.14151 91.94424 31.98772 12.39376       55.32603 
1 1 1 -14 -3  22 o 106.3695 22.11160 313.3092       108.7734 251.0473       325.4641 321.1381       115.4097 92.95216 40.12963 106.9906 23.22984 -14.03842      46.36823 
1 1 1 -14 -3  23 o 80.39134 29.90593 192.2725       153.5323 227.3090       327.1665 182.3775       173.8660 88.37584 39.13240 79.60015 31.26141 8.775688       50.08613 
1 1 1 -14 -3  24 o 114.3717 31.64497 442.0823       178.8849 682.9082       578.1135 416.5827       188.1172 102.3267 47.79708 108.8492 33.16152 -6.522522      58.17429 
1 1 1 -14 -2  1  o 215.7891 7.960186 1120.028       81.98155 1120.028       81.98155 0.000000       0.000000 215.7891 7.960186 ?        ?        0.000000       7.960186 
1 1 1 -14 -2  2  o 295.7390 7.664382 2101.666       108.2749 2101.666       108.2749 0.000000       0.000000 295.7390 7.664382 ?        ?        0.000000       7.664382 
1 1 1 -14 -2  3  o 309.5256 7.670468 2300.885       113.5081 2083.202       174.5823 2460.286       149.3942 293.1431 12.48556 319.4540 9.793329 -26.31091      15.86816 
1 1 1 -14 -2  4  o 332.2482 7.618910 2651.279       121.0219 2634.221       189.7471 2662.976       157.1311 329.7993 12.05447 332.2975 9.901736 -2.498138      15.59983 
1 1 1 -14 -2  5  o 66.39336 12.89775 110.3730       39.46414 210.6624       113.3118 96.52884       42.09998 90.10641 25.28086 61.79283 14.50147 28.31359       29.14472 
1 1 1 -14 -2  6  f 290.8771 8.117991 2035.612       112.7825 1941.840       191.3961 2085.493       139.5923 282.2163 14.23137 293.9512 9.947272 -11.73492      17.36318 
1 1 1 -14 -2  7  o 206.8171 8.707845 1031.167       85.90779 1060.841       165.5737 1020.237       100.4927 207.4250 16.84112 205.3786 10.26716 2.046417       19.72404 
1 1 1 -14 -2  8  o 95.91513 13.00899 227.2574       58.11764 262.3658       164.2986 222.2361       62.13485 99.79707 31.09656 94.54888 14.18280 5.248184       34.17818 
1 1 1 -14 -2  9  o 68.53841 16.37886 119.7124       52.93582 15.50571       109.0900 151.8067       60.54126 55.95651 23.66688 77.19608 16.87579 -21.23956      29.06740 
1 1 1 -14 -2  10 o 142.1483 12.04960 493.5352       81.11764 568.7769       197.6445 478.2937       88.95494 145.8631 29.35936 139.5409 13.50250 6.322220       32.31546 
1 1 1 -14 -2  11 o 174.9616 11.28658 744.5726       93.90533 809.9612       164.9109 713.1966       114.2346 179.5576 19.52444 170.3816 14.15144 9.176010       24.11363 
1 1 1 -14 -2  12 o 160.6860 13.69816 633.9246       104.2298 672.8646       199.0865 619.2213       122.3353 159.9246 26.99888 157.8888 16.44744 2.035767       31.61420 
1 1 1 -14 -2  13 o 200.2783 19.24244 1006.239       181.9833 1006.239       181.9833 0.000000       0.000000 200.2783 19.24244 ?        ?        0.000000       19.24244 
1 1 1 -14 -2  14 o 274.6608 11.82854 1836.617       154.9591 1955.113       334.6747 1804.281       174.8281 274.3659 25.81779 271.4797 13.51241 2.886169       29.14007 
1 1 1 -14 -2  15 o 245.0388 12.69759 1470.137       148.2452 1454.901       299.6880 1475.073       170.5764 234.1481 27.28183 244.4937 14.66028 -10.34554      30.97131 
1 1 1 -14 -2  16 o 50.53033 23.02677 -57.78001      122.7395 -96.08336      412.4795 -54.05895      128.5632 88.68089 41.06445 52.18498 23.69706 36.49590       47.41139 
1 1 1 -14 -2  17 o 178.4771 16.99366 802.3499       143.2554 742.4793       280.6340 823.4490       166.5963 156.8785 37.85459 179.2587 19.76694 -22.38022      42.70482 
1 1 1 -14 -2  18 o 138.6670 23.48599 512.0025       150.1488 713.2621       453.0389 487.1676       159.1434 138.7625 51.41860 133.8227 25.80964 4.939819       57.53268 
1 1 1 -14 -2  19 o 115.3695 19.00397 346.9659       101.1734 323.2904       284.3221 350.3984       108.2593 103.9417 40.21621 115.2607 20.39202 -11.31907      45.09078 
1 1 1 -14 -2  20 o 103.1797 29.19423 314.3790       150.4477 243.1906       495.7091 321.6017       157.8954 101.0815 46.14463 103.8276 30.07937 -2.746178      55.08263 
1 1 1 -14 -2  21 o 129.6495 18.89449 444.9924       113.6734 687.0021       313.0471 408.2354       122.0009 134.7745 43.04760 122.3001 21.65801 12.47443       48.18885 
1 1 1 -14 -2  22 o 81.60233 30.54647 193.6550       160.6763 421.5513       478.3648 164.6742       170.5869 102.6836 46.25620 78.23320 30.89134 24.45038       55.62294 
1 1 1 -14 -2  23 o 126.2649 21.38477 445.8255       124.4880 270.6634       261.9627 496.9204       141.4844 88.65250 37.03327 131.6928 23.32545 -43.04030      43.76688 
1 1 1 -14 -2  24 o 127.5777 22.20754 468.6920       130.5335 581.1614       448.0451 458.2602       136.4529 100.0096 44.93300 124.6066 23.77231 -24.59700      50.83402 
1 1 1 -14 -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 -1  2  o 210.8066 11.30159 1076.568       113.4858 1076.568       113.4858 0.000000       0.000000 210.8066 11.30159 ?        ?        0.000000       11.30159 
1 1 1 -14 -1  3  o 353.2795 7.529487 2997.878       127.1722 2997.878       127.1722 0.000000       0.000000 353.2795 7.529487 ?        ?        0.000000       7.529487 
1 1 1 -14 -1  4  o 294.1502 9.787510 2087.828       137.4500 0.000000       0.000000 2087.828       137.4500 ?        ?        294.1502 9.787510 0.000000       9.787510 
1 1 1 -14 -1  5  o 155.9789 8.419810 586.9209       62.55523 613.7997       118.8328 576.6172       73.57462 157.7071 15.98111 154.3057 10.02758 3.401352       18.86660 
1 1 1 -14 -1  6  o 43.67327 13.26817 46.61779       30.14324 10.69203       111.2061 49.46664       31.31560 55.91489 23.78230 44.88743 13.49951 11.02746       27.34657 
1 1 1 -14 -1  7  o 129.0906 10.09564 404.6536       61.81177 395.4574       137.6794 406.9752       69.17514 123.3280 24.21532 129.2077 11.31232 -5.879715      26.72733 
1 1 1 -14 -1  8  o 48.52269 15.90053 55.73959       42.54453 130.6301       141.2673 48.26954       44.61594 77.41785 28.70794 46.68428 16.27813 30.73357       33.00187 
1 1 1 -14 -1  9  o 115.1497 11.63238 324.5643       63.16120 367.5399       164.2568 317.1073       68.42191 116.6544 29.45203 113.5186 12.83193 3.135872       32.12601 
1 1 1 -14 -1  10 f 311.0020 9.229164 2335.381       137.0734 2134.627       286.7582 2394.837       156.0571 291.5099 20.71055 314.5208 10.39256 -23.01086      23.17179 
1 1 1 -14 -1  11 o 159.0329 10.47288 614.4047       79.18401 541.0555       147.7397 643.9675       93.79356 145.2873 21.95381 162.3830 12.17013 -17.09570      25.10143 
1 1 1 -14 -1  12 o 98.86593 16.49028 246.6389       75.20029 337.8170       211.0286 233.3764       80.48389 110.6083 35.34555 95.57994 18.27892 15.02832       39.79229 
1 1 1 -14 -1  13 o 238.1852 12.18252 1383.585       138.2659 1265.596       294.5785 1416.924       156.5862 218.1083 28.96553 240.4283 13.67902 -22.31996      32.03307 
1 1 1 -14 -1  14 o 199.2132 14.36363 979.2168       135.8830 956.9512       300.3518 984.9468       152.3679 183.4193 35.53493 198.9853 16.15522 -15.56602      39.03489 
1 1 1 -14 -1  15 o 142.1591 17.21577 510.3080       114.6253 488.1287       196.1110 521.8170       141.2685 131.3683 31.61017 141.7466 21.52162 -10.37820      38.24112 
1 1 1 -14 -1  16 o 207.8392 13.31791 1065.375       131.6378 1524.400       233.7668 852.2311       159.2949 244.1269 20.20990 183.2042 18.43734 60.92268       27.35646 
1 1 1 -14 -1  17 f 41.03353 18.09377 -13.24683      69.24763 310.9737       191.0149 -62.30464      74.30209 103.5682 33.67575 36.82935 17.18073 66.73880       37.80521 
1 1 1 -14 -1  18 o 43.04438 19.01992 -14.24833      76.89684 121.4655       339.8437 -21.57164      78.94431 91.33217 40.18547 42.69777 19.04550 48.63440       44.47025 
1 1 1 -14 -1  19 o 176.6376 16.71787 796.3503       139.4997 906.0831       245.6763 744.1353       169.4699 177.0348 30.10323 167.1912 21.71417 9.843582       37.11751 
1 1 1 -14 -1  20 o 160.1366 15.67320 655.5122       118.4584 867.6563       245.0112 590.7945       135.3263 169.7584 31.34319 149.4622 19.39531 20.29619       36.85883 
1 1 1 -14 -1  21 o 100.4577 30.07369 313.1346       155.6824 19.39668       399.1610 365.8343       169.0721 83.16617 39.12325 107.8072 31.09379 -24.64098      49.97452 
1 1 1 -14 -1  22 o 38.45226 18.19028 -80.15121      88.51969 -11.73064      241.8891 -90.73097      95.11763 68.28876 31.56004 39.33104 18.67895 28.95772       36.67341 
1 1 1 -14 -1  23 o 139.7771 18.52932 531.0234       120.7767 685.0674       272.9993 493.5362       134.6730 129.6414 40.03346 131.3980 22.22990 -1.756683      45.79134 
1 1 1 -14 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0   4  o 78.47829 10.60984 151.3903       38.78891 151.3903       38.78891 0.000000       0.000000 78.47829 10.60984 ?        ?        0.000000       10.60984 
1 1 1 -14 0   5  o 129.4903 8.719178 405.5789       53.66386 288.9459       102.6419 449.4531       62.95328 106.0226 20.99268 136.1548 9.735369 -30.13226      23.14022 
1 1 1 -14 0   6  o 80.02338 10.63389 157.4390       39.67736 94.71103       99.76075 169.2263       43.24487 66.27631 24.20133 82.89478 11.19799 -16.61846      26.66645 
1 1 1 -14 0   7  o 140.3410 9.317323 477.1289       62.16098 495.1203       133.4507 472.1438       70.24702 139.5464 20.62340 139.3262 10.62614 0.2202606      23.19999 
1 1 1 -14 0   8  o 248.9826 8.376701 1494.787       99.57069 1616.882       182.4783 1443.022       118.8183 256.5930 14.93966 244.1186 10.20311 12.47438       18.09135 
1 1 1 -14 0   9  o 126.7192 10.45790 391.0420       62.79360 809.7595       168.6262 323.6308       67.65975 179.1457 20.03086 114.7127 12.54112 64.43295       23.63293 
1 1 1 -14 0   10 o 34.48723 14.82753 -1.922021      44.08055 -95.96503      173.1621 4.594431       45.58220 58.75109 26.98920 36.32792 15.32829 22.42317       31.03826 
1 1 1 -14 0   11 f 176.5784 9.871667 756.0041       83.00497 1016.485       161.1796 661.9883       96.83272 202.2997 16.81697 164.5135 12.40288 37.78618       20.89598 
1 1 1 -14 0   12 o 40.32751 17.40517 -2.940672      61.18953 -78.23096      208.4755 4.156859       64.00872 66.09111 30.07605 42.36678 18.03226 23.72433       35.06753 
1 1 1 -14 0   13 o 435.1963 10.00863 4588.529       208.2418 5695.057       499.6983 4355.973       229.0819 472.2552 22.19419 423.0854 11.33563 49.16977       24.92145 
1 1 1 -14 0   14 o 43.55249 20.60791 -116.1133      113.7412 0.000000       0.000000 -116.1133      113.7412 ?        ?        43.55249 20.60791 0.000000       20.60791 
1 1 1 -14 0   15 o 102.6170 23.42207 282.8519       112.3688 547.4107       224.1448 194.0417       129.8671 136.6383 34.35333 85.06805 27.77462 51.57021       44.17670 
1 1 1 -14 0   16 o 288.7498 11.83680 2043.727       163.0582 1881.693       335.4287 2093.865       186.5884 263.8462 26.97039 291.2406 13.43681 -27.39444      30.13221 
1 1 1 -14 0   17 o 106.4967 24.45756 310.3611       121.8962 116.8135       247.3692 372.4306       140.0849 83.64960 35.52026 116.1001 25.89694 -32.45049      43.95840 
1 1 1 -14 0   18 o 80.91987 27.18451 179.8010       124.1589 201.9067       256.8117 173.0581       141.8367 90.16395 37.07323 80.44249 28.92936 9.721458       47.02481 
1 1 1 -14 0   19 f 46.87413 20.14063 9.548398       81.23502 -333.8162      267.6924 44.37629       85.25541 58.68723 28.69767 53.02252 21.52754 5.664703       35.87466 
1 1 1 -14 0   20 o 137.6030 24.25820 533.7791       153.7565 677.1048       298.0009 481.7811       179.4936 133.7936 41.90847 125.1540 30.32118 8.639626       51.72711 
1 1 1 -14 0   21 o 57.78816 23.89666 56.36238       107.5123 11.90267       299.0927 62.95956       115.2131 74.93586 34.79222 59.79158 24.73259 15.14428       42.68723 
1 1 1 -14 0   22 o 61.52001 28.15422 -3.682700      186.0368 291.4739       518.7799 -47.24043      199.2918 90.17290 43.04806 60.22912 28.11016 29.94379       51.41319 
1 1 1 -14 0   23 o 63.49506 28.93743 31.30638       193.8933 276.9157       540.6049 -4.952259      207.7128 85.57048 41.60699 62.41277 28.98343 23.15771       50.70681 
1 1 1 -14 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1   6  o 138.5644 7.622078 463.2596       50.29877 494.2025       82.89258 445.2268       63.28015 142.0998 12.32322 135.4111 9.841912 6.688675       15.77102 
1 1 1 -14 1   7  f 125.9831 8.611773 384.3002       51.55774 414.5880       96.23896 372.1085       61.05903 128.9744 15.94707 123.5901 10.43104 5.384308       19.05560 
1 1 1 -14 1   8  o 287.9646 7.922509 1997.883       108.9676 1917.957       173.5642 2049.884       139.9971 280.2942 12.98733 290.9901 10.07833 -10.69592      16.43908 
1 1 1 -14 1   9  o 385.4811 7.938634 3577.905       146.3043 3620.272       231.0402 3549.542       189.0349 385.4835 12.55315 382.8570 10.33700 2.626495       16.26147 
1 1 1 -14 1   10 o 73.09343 15.80196 136.2798       53.60852 -170.4614      153.4162 178.9431       57.21528 49.57780 23.59575 84.29653 14.73295 -34.71873      27.81760 
1 1 1 -14 1   11 o 116.9341 12.61178 337.1062       69.39211 423.1252       179.1528 321.9230       75.26757 123.6675 30.49585 113.7989 14.13842 9.868599       33.61386 
1 1 1 -14 1   12 o 36.10460 16.21295 -23.73114      58.24945 377.1377       191.1124 -64.78483      61.15948 115.0108 33.02353 32.23638 15.21058 82.77443       36.35815 
1 1 1 -14 1   13 o 98.09802 17.88537 247.7213       80.79193 35.15494       217.7313 281.6622       87.00328 74.95190 32.58837 104.6984 18.03213 -29.74647      37.24459 
1 1 1 -14 1   14 o 221.0031 11.64532 1196.480       122.6092 1401.345       291.0089 1152.265       135.1944 227.6512 27.28061 216.1564 13.14438 11.49475       30.28211 
1 1 1 -14 1   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1   16 o 51.82404 22.29087 9.454648       99.70450 18.38358       173.4656 5.049420       121.8422 66.21595 28.93376 55.97009 24.35621 10.24586       37.82047 
1 1 1 -14 1   17 o 151.4580 20.24688 603.2340       142.9393 312.6215       321.3477 674.9169       159.5974 101.9088 41.63734 159.4412 21.48327 -57.53241      46.85295 
1 1 1 -14 1   18 o 75.51917 24.48689 157.7620       101.0346 431.0941       333.3341 130.1102       106.0221 108.6214 43.08966 70.42056 25.04743 38.20084       49.84068 
1 1 1 -14 1   19 o 131.1961 23.36589 481.5531       141.1849 601.2597       222.8039 401.2346       182.5036 135.7457 34.31797 111.8082 32.32270 23.93744       47.14319 
1 1 1 -14 1   20 o 191.2654 15.93353 946.0231       144.3769 996.0191       259.9417 923.7192       173.6197 178.4208 31.63150 185.1606 19.92619 -6.739792      37.38456 
1 1 1 -14 1   21 o 75.31919 30.02153 162.8952       162.5544 351.8811       273.7812 59.99960       202.0167 94.69170 38.52867 68.08857 30.41244 26.60313       49.08538 
1 1 1 -14 1   22 o 78.36088 31.04855 202.2532       172.8747 253.8797       292.6588 174.5847       214.2487 83.41025 36.96844 76.22852 32.73028 7.181732       49.37547 
1 1 1 -14 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2   7  o 151.9454 7.698818 557.1178       55.74453 535.1014       89.74191 570.9497       71.13177 147.6723 12.83871 153.3952 9.749824 -5.722900      16.12115 
1 1 1 -14 2   8  o 297.7387 7.286377 2132.735       103.7183 2350.307       157.5257 1966.231       137.8042 311.2743 10.60068 284.8566 10.13492 26.41766       14.66599 
1 1 1 -14 2   9  o 135.2938 9.576824 444.7989       61.54488 471.7180       115.7019 434.1767       72.68015 136.5931 18.16761 133.1747 11.52870 3.418457       21.51681 
1 1 1 -14 2   10 o 52.05167 23.17992 -27.97922      116.4454 -27.97922      116.4454 0.000000       0.000000 52.05167 23.17992 ?        ?        0.000000       23.17992 
1 1 1 -14 2   11 o 32.08469 14.23220 -13.06611      43.46503 -46.97219      80.48627 0.8929217      51.64291 40.45428 18.51545 37.61143 16.10769 2.842846       24.54139 
1 1 1 -14 2   12 f 191.8730 10.83595 899.2465       98.99669 1085.582       186.8707 826.5503       116.7211 206.4052 19.15562 182.8751 13.44413 23.53012       23.40262 
1 1 1 -14 2   13 f 205.7071 10.31880 1032.361       101.1575 1134.416       179.5802 984.9269       122.4292 211.4795 17.93044 199.7897 12.88623 11.68977       22.08067 
1 1 1 -14 2   14 o 58.70414 19.61058 85.17323       64.62247 317.9329       211.9862 61.32706       67.85206 103.6134 35.51303 53.66530 19.89665 49.94810       40.70691 
1 1 1 -14 2   15 o 61.52805 24.24969 71.87904       104.9435 168.0398       180.9400 23.13441       128.8246 82.76114 32.06554 59.17523 25.39353 23.58591       40.90269 
1 1 1 -14 2   16 o 85.31796 26.98515 205.8024       123.2688 87.03714       199.0735 279.6578       156.9857 74.65913 31.78951 97.16656 30.41479 -22.50742      43.99582 
1 1 1 -14 2   17 o 49.28785 23.21166 -105.0806      141.1940 -145.2359      314.8754 -94.97434      157.9657 71.15402 33.84738 53.16233 24.88194 17.99170       42.00900 
1 1 1 -14 2   18 o 111.5802 25.38437 361.4102       132.3510 402.1710       195.7798 327.1047       179.6091 110.0632 33.88702 100.3522 32.65665 9.711006       47.06152 
1 1 1 -14 2   19 o 67.46146 25.12482 119.5600       108.4254 451.1756       327.9932 78.87595       114.8840 104.6371 42.31866 61.81613 25.02921 42.82098       49.16636 
1 1 1 -14 2   20 o 158.6975 24.83457 738.3163       182.2499 870.8423       354.6472 690.7594       212.4482 135.9959 45.94501 145.4361 31.46979 -9.440231      55.68924 
1 1 1 -14 2   21 o 44.62275 20.68423 -45.59581      105.0569 -269.1402      216.2393 23.47122       120.1955 50.90286 25.07160 54.07097 23.84054 -3.168110      34.59706 
1 1 1 -14 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3   8  o 163.8621 10.09376 653.4578       78.69134 0.000000       0.000000 653.4578       78.69134 ?        ?        163.8621 10.09376 0.000000       10.09376 
1 1 1 -14 3   9  o 165.7908 8.421745 665.8516       66.53434 695.0674       111.9403 649.8922       82.73470 167.4406 14.11486 163.1372 10.66632 4.303452       17.69180 
1 1 1 -14 3   10 o 145.5354 9.649900 516.0463       66.76364 751.8022       140.5726 447.3777       75.86623 172.5073 17.27677 134.7888 11.89491 37.71855       20.97560 
1 1 1 -14 3   11 o 114.6592 13.61224 328.2231       73.16412 646.1989       129.3841 178.7471       88.70937 159.6532 17.22321 81.68886 22.15790 77.96431       28.06442 
1 1 1 -14 3   12 o 74.87692 18.22513 147.2457       64.61762 102.1666       142.3997 158.9350       72.51318 71.23391 28.19369 77.47219 19.57373 -6.238281      34.32222 
1 1 1 -14 3   13 o 110.1920 15.77488 309.0027       80.73659 -219.1472      166.3427 471.7661       92.34291 48.54171 23.47852 137.2184 14.28500 -88.67668      27.48276 
1 1 1 -14 3   14 o 168.9101 12.22861 706.3179       98.08228 863.3390       151.5859 593.2361       128.6401 183.6822 17.47185 151.6492 18.09994 32.03302       25.15697 
1 1 1 -14 3   15 o 158.2505 17.92927 650.2135       133.2616 520.5950       251.8872 700.5949       157.0391 123.8457 38.48964 162.2658 20.71458 -38.42003      43.70979 
1 1 1 -14 3   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3   17 o 107.9855 28.61456 357.7268       150.0763 353.9648       289.1368 359.1141       175.5804 98.53871 39.77565 105.1119 32.04036 -6.573227      51.07531 
1 1 1 -14 3   18 o 186.5854 16.54888 909.4971       146.0938 1053.087       222.4650 800.6166       193.7203 191.2387 24.92448 166.3257 25.14590 24.91306       35.40545 
1 1 1 -14 3   19 o 177.8469 21.33094 887.2305       177.7551 1300.768       346.5227 739.5553       207.0753 184.2800 40.44417 152.6942 29.43303 31.58585       50.02034 
1 1 1 -14 3   20 o 68.83418 24.76219 141.2683       103.9266 186.4873       216.1542 127.6722       118.5253 76.72952 32.90923 66.95760 25.94966 9.771919       41.90945 
1 1 1 -14 4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4   8  o 91.63679 12.67855 209.6431       54.05891 209.6431       54.05891 0.000000       0.000000 91.63679 12.67855 ?        ?        0.000000       12.67855 
1 1 1 -14 4   9  o 35.14918 13.95165 17.41682       34.96428 72.92764       61.31388 -9.333246      42.56303 55.36329 19.09454 32.28983 14.21387 23.07346       23.80411 
1 1 1 -14 4   10 o 322.6444 8.287195 2521.213       127.7263 2327.086       197.9846 2659.608       167.1656 306.6543 13.53772 330.0251 10.60856 -23.37073      17.19917 
1 1 1 -14 4   11 o 153.7023 10.74156 579.7199       78.43569 627.0845       126.8485 550.3998       99.80243 156.8396 17.19868 148.3014 14.25150 8.538239       22.33607 
1 1 1 -14 4   12 o 41.20236 17.31313 11.59306       57.76923 47.31355       139.1274 4.151379       63.50231 63.38478 26.76393 41.64425 17.84881 21.74054       32.16967 
1 1 1 -14 4   13 o 79.46465 23.07553 174.5408       92.82623 343.5972       174.9939 108.3452       109.5019 105.9234 31.92413 67.25372 25.20852 38.66973       40.67701 
1 1 1 -14 4   14 o 159.7194 17.70553 665.2182       132.9312 532.1947       399.2936 681.7993       140.9728 113.2081 46.35215 160.9951 18.66050 -47.78702      49.96735 
1 1 1 -14 4   15 o 220.6927 15.62313 1250.771       163.7752 1288.598       471.0518 1245.569       174.6724 163.8035 52.85305 219.0554 16.80707 -55.25198      55.46099 
1 1 1 -14 4   16 o 60.71973 27.04947 15.93181       158.7107 0.000000       0.000000 15.93181       158.7107 ?        ?        60.71973 27.04947 0.000000       27.04947 
1 1 1 -14 4   17 o 135.2401 21.50397 511.8042       134.3878 657.2294       202.2279 396.7932       179.8418 143.7664 30.37518 108.1959 32.30721 35.57043       44.34419 
1 1 1 -14 4   18 f 85.84916 28.68416 242.9193       138.2560 194.3580       210.4064 279.8183       183.4090 78.48796 33.01451 88.34795 32.72011 -9.859985      46.48186 
1 1 1 -14 4   19 o 56.78223 23.30192 70.65047       101.2009 181.4789       212.8730 38.28784       115.0315 75.33099 32.48788 54.41421 23.67258 20.91679       40.19769 
1 1 1 -14 5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5   9  o 42.66927 16.13429 35.06673       45.07395 35.06673       45.07395 0.000000       0.000000 42.66927 16.13429 ?        ?        0.000000       16.13429 
1 1 1 -14 5   10 o 91.75069 11.30899 209.5507       48.55825 120.4107       68.08323 301.8409       69.27577 67.35164 19.81966 109.5274 13.51614 -42.17572      23.98969 
1 1 1 -14 5   11 o 87.40696 14.68252 196.3297       59.18251 176.9067       100.1631 206.7478       73.35706 79.61179 24.18630 88.34244 17.98076 -8.730652      30.13776 
1 1 1 -14 5   12 o 121.1720 14.73889 375.4111       83.62964 254.5664       140.6400 441.5145       104.0176 92.02373 28.78532 130.1221 17.13657 -38.09836      33.50010 
1 1 1 -14 5   13 o 61.86084 23.22229 92.98066       93.00047 101.2180       134.5259 85.43995       128.7118 67.36930 27.15342 64.69107 26.38161 2.678230       37.85891 
1 1 1 -14 5   14 o 82.13379 21.53087 190.7481       85.56062 202.4109       132.6174 182.4320       111.9845 81.89690 28.08827 78.78242 25.79583 3.114487       38.13628 
1 1 1 -14 5   15 o 123.2444 18.03873 407.5621       103.1406 423.9913       209.0392 402.2755       118.5796 108.7403 35.21896 119.8219 21.48924 -11.08167      41.25727 
1 1 1 -14 5   16 o 97.43715 28.05304 305.7478       137.7357 412.2529       227.0051 243.6929       173.2760 102.3713 36.62449 84.70984 31.71912 17.66144       48.45055 
1 1 1 -14 5   17 o 94.11084 30.35184 310.9764       155.3571 644.7579       281.0551 164.1178       186.4276 118.0360 40.87331 73.75710 31.05348 44.27888       51.33172 
1 1 1 -14 5   18 o 55.39142 24.81586 25.15696       135.5968 99.75900       196.2723 -42.96225      187.5506 67.09544 29.97233 56.61892 26.69118 10.47652       40.13427 
1 1 1 -14 6   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6   10 o 72.00458 9.651313 129.2181       32.38831 18.40682       54.23348 190.6477       40.37982 40.98949 16.96329 87.63674 9.805511 -46.64725      19.59340 
1 1 1 -14 6   11 o 27.44185 13.01386 -50.15545      45.84735 -54.41385      58.35265 -43.28614      74.11293 31.69920 14.92647 37.95998 17.51705 -6.260782      23.01405 
1 1 1 -14 6   12 o 53.64554 19.55776 69.40691       65.11275 100.8910       95.12199 41.64744       89.31845 63.02878 23.52140 52.46972 21.74689 10.55907       32.03410 
1 1 1 -14 6   13 o 39.97786 17.94880 -17.10782      71.35223 54.53300       98.21028 -97.19657      103.8395 55.55135 22.89255 40.79706 19.41548 14.75429       30.01715 
1 1 1 -14 6   14 o 42.12226 18.90106 -13.82589      79.00287 -142.0932      165.6731 23.92613       89.88023 49.61700 23.85570 49.34384 21.19327 0.2731628      31.91002 
1 1 1 -14 6   15 f 63.13240 24.84214 106.0692       109.9782 82.50149       197.7234 116.6271       132.3391 67.17624 30.04041 66.03391 26.81714 1.142326       40.26891 
1 1 1 -14 6   16 o 113.6093 21.42831 379.2493       112.1217 221.4950       200.3406 451.1944       135.2942 77.98129 32.46600 121.0936 24.21622 -43.11235      40.50267 
1 1 1 -14 7   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7   10 o 110.7332 9.232497 303.3097       48.43276 0.000000       0.000000 303.3097       48.43276 ?        ?        110.7332 9.232497 0.000000       9.232497 
1 1 1 -14 7   11 o 44.35011 16.46779 43.94560       46.51313 0.000000       0.000000 43.94560       46.51313 ?        ?        44.35011 16.46779 0.000000       16.46779 
1 1 1 -14 7   12 o 78.84183 13.94198 163.7135       50.63000 136.2042       79.86583 182.1969       65.46557 68.41946 21.73084 81.36484 17.35882 -12.94538      27.81291 
1 1 1 -14 7   13 o 50.35712 20.07905 53.77165       72.73995 47.36593       107.6517 59.15343       98.67338 54.50586 23.29749 54.86592 22.80881 -0.3600578     32.60391 
1 1 1 -14 7   14 o 135.2629 14.19167 482.3461       90.40918 544.3347       123.0283 409.5690       133.3049 138.9194 19.02308 113.8755 25.15715 25.04390       31.53981 
1 1 1 -14 8   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8   11 o 46.85027 16.44660 56.08535       45.59138 0.000000       0.000000 56.08535       45.59138 ?        ?        46.85027 16.44660 0.000000       16.44660 
1 1 1 -14 9   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -23 1  o 79.10415 29.12020 170.1725       144.8925 170.1725       144.8925 0.000000       0.000000 79.10415 29.12020 ?        ?        0.000000       29.12020 
1 1 1 -13 -23 2  o 70.02205 28.37009 103.7684       147.7090 103.7684       147.7090 0.000000       0.000000 70.02205 28.37009 ?        ?        0.000000       28.37009 
1 1 1 -13 -23 3  o 84.23697 19.38782 192.1913       76.45975 240.4088       109.3226 146.0213       106.9764 91.75339 24.47238 73.12507 25.22162 18.62832       35.14296 
1 1 1 -13 -22 1  o 129.0226 16.40417 423.4524       98.90330 423.4524       98.90330 0.000000       0.000000 129.0226 16.40417 ?        ?        0.000000       16.40417 
1 1 1 -13 -22 2  o 190.6485 9.950997 887.4983       90.38627 975.4259       122.1112 780.9430       134.4252 198.4812 12.93904 175.7877 16.17624 22.69344       20.71448 
1 1 1 -13 -22 3  f 65.16467 21.02081 109.8506       74.51529 201.9564       112.1097 36.95785       99.73373 85.37199 25.51175 55.34213 22.96239 30.02985       34.32376 
1 1 1 -13 -22 4  f 162.3757 11.58098 651.0197       89.31297 588.7599       129.4615 707.5616       123.3735 150.8352 18.32842 167.1965 15.61488 -16.36131      24.07811 
1 1 1 -13 -22 5  o 138.7933 11.66668 477.5817       76.69891 512.6578       100.8936 429.5593       118.0540 142.1862 15.07141 127.2883 20.06276 14.89784       25.09306 
1 1 1 -13 -22 6  o 113.2849 15.04216 327.8617       79.45718 117.2383       168.2080 388.3589       90.14905 74.02746 30.17025 123.1104 15.67115 -49.08296      33.99749 
1 1 1 -13 -22 7  f 103.9574 13.87010 274.6973       67.21706 399.0641       112.4434 205.5430       83.84775 122.1795 19.93672 86.76210 20.53525 35.41743       28.62113 
1 1 1 -13 -21 1  o 112.5575 12.60321 313.5862       66.65781 386.0410       111.2712 273.0300       83.24878 122.3130 19.69717 103.3111 17.47739 19.00199       26.33320 
1 1 1 -13 -21 2  o 56.88659 17.07196 82.10230       50.12231 95.32352       81.18063 73.95750       63.71729 63.08166 21.96004 56.11662 19.45980 6.965038       29.34156 
1 1 1 -13 -21 3  o 133.2066 10.89854 435.1485       68.80067 446.7698       99.06882 424.3222       95.62046 133.1584 15.87401 129.7884 15.73085 3.370041       22.34824 
1 1 1 -13 -21 4  o 63.88781 17.81503 106.0801       56.45298 162.8052       109.9314 85.76320       65.79048 78.36581 25.55191 59.04716 19.78803 19.31865       32.31820 
1 1 1 -13 -21 5  o 104.7749 13.14677 274.2532       64.40838 271.7448       103.7435 275.8265       82.16032 100.6585 22.15898 103.5681 17.19591 -2.909615      28.04852 
1 1 1 -13 -21 6  o 141.2799 11.83449 492.5351       79.20136 581.2424       127.0853 436.2019       101.2739 150.6420 18.00169 130.9575 16.54407 19.68448       24.44928 
1 1 1 -13 -21 7  o 164.5823 12.71087 671.4437       99.24084 652.5305       175.9516 680.2675       120.1814 155.1329 24.53894 164.2755 15.48496 -9.142563      29.01627 
1 1 1 -13 -21 8  o 40.50404 16.80277 15.16064       53.38994 3.977936       113.4596 18.34106       60.50769 53.72301 23.43893 43.15600 17.89401 10.56701       29.48862 
1 1 1 -13 -21 9  o 71.83262 20.61478 139.3883       74.49179 125.4670       127.2824 146.6406       91.86826 71.61847 27.10540 73.44417 23.30419 -1.825699      35.74615 
1 1 1 -13 -21 10 o 63.89891 22.22309 104.5732       83.12687 334.1258       208.3337 61.10640       90.65610 101.8436 35.19408 56.70980 22.47950 45.13384       41.76064 
1 1 1 -13 -20 1  o 118.0185 13.05959 343.5550       72.45509 411.1083       99.41371 267.0149       105.8200 128.0934 16.62529 100.9104 22.50740 27.18309       27.98184 
1 1 1 -13 -20 2  o 207.1281 9.536201 1038.882       94.17941 1078.962       133.9114 999.6550       132.4798 209.7917 13.42161 201.7527 13.81821 8.038971       19.26350 
1 1 1 -13 -20 3  o 183.2182 9.744994 814.1114       85.05378 881.0062       114.3689 731.3338       127.2238 189.6939 12.68379 171.6652 15.67439 18.02870       20.16346 
1 1 1 -13 -20 4  o 122.4646 14.14231 372.3361       81.28230 239.2777       182.3337 405.3366       90.80418 95.09222 32.92170 127.4886 15.19677 -32.39634      36.25990 
1 1 1 -13 -20 5  o 68.71108 23.10467 117.0778       89.68669 117.0778       89.68669 0.000000       0.000000 68.71108 23.10467 ?        ?        0.000000       23.10467 
1 1 1 -13 -20 6  o 140.2978 11.35052 482.7269       75.48384 641.0200       119.2827 376.9983       97.48613 160.0413 15.79539 121.8177 17.21826 38.22356       23.36585 
1 1 1 -13 -20 7  o 206.0469 11.94643 1041.886       117.1780 1052.785       183.7294 1034.414       152.1352 203.0938 19.14829 203.3708 15.77021 -0.2770233     24.80638 
1 1 1 -13 -20 8  o 166.5226 12.47942 684.1973       98.62917 846.2993       150.8275 563.0964       130.3647 182.6884 17.48177 148.0352 18.84658 34.65311       25.70614 
1 1 1 -13 -20 9  o 42.56478 18.24805 3.510668       66.40659 -92.12912      115.1964 51.11094       81.26885 45.41209 21.25249 54.17361 21.34329 -8.761517      30.11983 
1 1 1 -13 -20 10 o 46.74187 19.77353 13.97555       76.17558 208.9124       202.0145 -18.33681      82.24698 88.84628 34.02253 43.92302 19.52525 44.92327       39.22713 
1 1 1 -13 -20 11 o 49.99434 20.11122 38.62106       73.64086 -80.47424      145.3689 79.73411       85.41106 52.43129 24.31325 59.62202 22.28075 -7.190739      32.97826 
1 1 1 -13 -20 12 o 137.8817 18.56853 497.8433       119.2945 536.4191       168.2322 458.8280       169.1877 137.3604 26.57864 124.9202 28.90279 12.44022       39.26571 
1 1 1 -13 -19 1  o 172.3746 9.029144 718.2729       74.15000 671.2706       94.91984 791.8669       118.7732 165.8956 12.04993 179.6735 13.93582 -13.77788      18.42303 
1 1 1 -13 -19 2  o 111.1836 12.03123 303.3976       62.93511 265.5040       93.52261 334.7603       85.08228 101.6672 19.95379 115.8319 15.77334 -14.16477      25.43525 
1 1 1 -13 -19 3  o 118.7339 14.09250 348.8113       78.43808 309.8815       117.4613 380.1426       105.3764 108.8316 23.27946 122.5909 18.55949 -13.75931      29.77226 
1 1 1 -13 -19 4  o 75.84512 17.80547 147.8441       63.45156 82.35339       171.7241 158.1992       68.28388 74.74046 30.47525 78.34827 18.52352 -3.607811      35.66317 
1 1 1 -13 -19 5  o 105.2180 12.49922 272.9717       61.64830 318.7478       97.98486 242.9791       79.31340 111.7990 19.01213 97.73416 17.62248 14.06481       25.92320 
1 1 1 -13 -19 6  o 80.52715 15.19316 164.0744       56.34822 176.5839       94.99456 157.2834       69.99127 82.12151 23.18520 77.97921 18.96014 4.142303       29.95063 
1 1 1 -13 -19 7  o 91.04601 18.86639 213.8447       79.42051 94.22358       154.1383 257.0815       92.66870 73.30112 29.22844 99.60784 20.15237 -26.30672      35.50239 
1 1 1 -13 -19 8  o 64.84722 19.92952 106.9580       67.75407 -23.33704      112.1419 181.8635       85.02776 51.52317 22.85733 83.10407 21.30334 -31.58090      31.24564 
1 1 1 -13 -19 9  o 125.2005 16.24438 395.4052       94.94379 322.4410       199.9476 416.6463       107.8820 105.9845 34.45365 127.7632 18.17375 -21.77868      38.95304 
1 1 1 -13 -19 10 o 106.5368 16.24583 288.7150       80.13240 308.8089       132.4791 277.1217       100.6277 105.8191 26.30060 102.2958 21.26993 3.523277       33.82501 
1 1 1 -13 -19 11 o 84.64911 21.14830 191.4072       85.33416 237.8342       147.4418 168.0224       104.6410 92.22202 29.55206 79.17850 24.83854 13.04352       38.60411 
1 1 1 -13 -19 12 o 136.5171 17.72043 477.9306       112.9300 300.2155       250.4058 523.3046       126.5279 101.2448 38.08431 142.1923 19.09457 -40.94750      42.60302 
1 1 1 -13 -19 13 o 226.2152 13.76875 1276.034       148.2050 1268.442       222.5096 1282.088       198.6937 219.2083 21.50821 222.8290 18.82709 -3.620758      28.58430 
1 1 1 -13 -19 14 o 53.39497 22.63771 25.69186       100.2086 113.0520       123.4282 -143.2456      171.6408 69.30255 26.57997 52.94505 25.12923 16.35751       36.57832 
1 1 1 -13 -18 1  o 309.4534 10.37330 2312.903       153.2520 2445.387       189.9918 2066.164       259.2814 317.4547 12.54297 289.0308 18.86684 28.42398       22.65577 
1 1 1 -13 -18 2  o 291.5791 10.11154 2053.192       140.7421 2144.290       174.7941 1885.247       237.3315 297.2564 12.32623 276.3098 18.06504 20.94662       21.86966 
1 1 1 -13 -18 3  o 150.1329 10.37716 546.7047       74.02567 640.5050       109.2563 467.1018       100.6488 161.5695 14.29144 137.4237 15.59470 24.14581       21.15278 
1 1 1 -13 -18 4  o 265.7811 8.616839 1702.786       109.3468 1945.717       167.3735 1521.892       144.4303 282.8872 12.40574 250.2262 12.10900 32.66104       17.33581 
1 1 1 -13 -18 5  o 23.10769 11.09929 -51.69606      35.66433 -27.32053      85.64144 -56.81017      39.22760 44.60210 19.86964 24.22346 11.63662 20.37864       23.02637 
1 1 1 -13 -18 6  o 137.2354 12.70744 461.6545       82.42764 396.2867       171.6637 481.2420       93.96934 120.9084 29.87305 139.6986 14.26995 -18.79020      33.10635 
1 1 1 -13 -18 7  f 301.9874 13.03621 2225.162       187.7692 2343.663       268.1286 2111.119       263.0363 306.9201 18.35686 290.8245 19.02246 16.09558       26.43536 
1 1 1 -13 -18 8  o 156.5317 12.59942 600.0020       93.49316 606.3624       143.1725 595.2733       123.4479 154.7407 19.80644 154.4268 17.00160 0.3139191      26.10267 
1 1 1 -13 -18 9  o 102.7111 18.19554 269.0134       86.07914 590.6934       190.4830 186.4647       96.49382 148.6203 27.83088 84.24409 23.21559 64.37618       36.24253 
1 1 1 -13 -18 10 o 138.1109 14.22649 472.5299       92.59414 456.4889       141.7598 484.4661       122.2840 132.0138 23.31299 138.0235 19.03792 -6.009613      30.09880 
1 1 1 -13 -18 11 o 92.01284 22.13161 224.8150       96.16297 190.3888       233.9663 231.8129       105.4847 91.37382 36.14705 92.98367 23.67096 -1.609856      43.20791 
1 1 1 -13 -18 12 f 40.51815 18.36976 -35.92633      76.88004 168.2030       142.1243 -120.3642      91.40803 81.21977 28.98810 37.09538 17.80527 44.12439       34.01967 
1 1 1 -13 -18 13 o 221.1862 13.47946 1210.635       141.8640 1125.477       218.8380 1272.361       186.3153 207.1577 22.45462 224.1968 17.52151 -17.03909      28.48181 
1 1 1 -13 -18 14 o 168.0846 16.59532 715.8596       131.6207 490.9257       222.3221 837.2422       163.3178 126.6457 35.36792 180.1922 19.25598 -53.54649      40.27012 
1 1 1 -13 -18 15 o 108.9635 18.49394 310.9355       92.90191 626.5585       141.7486 73.27263       123.0028 154.7799 19.59397 64.01427 25.90601 90.76565       32.48146 
1 1 1 -13 -18 16 o 95.03580 17.28664 236.9044       75.65028 245.7543       145.6512 233.6350       88.52800 91.21761 29.38571 92.82610 20.49670 -1.608482      35.82785 
1 1 1 -13 -17 1  o 243.2993 7.327719 1422.542       85.13787 1417.556       112.6792 1429.176       129.9698 242.3805 9.743694 243.0068 11.21731 -0.6262512     14.85825 
1 1 1 -13 -17 2  o 244.5585 11.35866 1447.839       132.4434 1428.863       189.5260 1465.949       185.1570 241.2691 16.53068 244.6240 15.91835 -3.354858      22.94901 
1 1 1 -13 -17 3  o 345.5352 13.63725 2901.791       224.8401 3010.339       319.8491 2795.754       316.1274 349.1386 19.23625 336.1330 19.75888 13.00568       27.57620 
1 1 1 -13 -17 4  o 137.5726 11.43824 460.4017       74.55159 562.1688       120.3684 397.0673       94.95739 150.6613 17.00795 126.5857 16.05080 24.07565       23.38586 
1 1 1 -13 -17 5  o 120.5293 12.18604 355.1313       69.25688 463.1584       107.5435 278.5843       90.52778 136.5922 16.82338 104.9373 18.73175 31.65493       25.17747 
1 1 1 -13 -17 6  o 184.3591 11.08034 824.3931       97.21139 1152.778       171.5532 669.0787       117.9814 216.2728 16.72139 164.9455 15.12950 51.32722       22.55009 
1 1 1 -13 -17 7  o 310.8235 13.01893 2352.068       193.0345 2425.326       280.8205 2286.445       265.7837 312.5493 18.88130 303.7294 18.38961 8.819916       26.35681 
1 1 1 -13 -17 8  o 265.7900 11.66367 1715.682       147.8508 1871.295       217.9960 1583.127       201.1979 275.4065 16.63394 253.2008 16.71421 22.20563       23.58078 
1 1 1 -13 -17 9  f 79.90462 15.39250 161.4642       56.66891 104.1541       116.9895 179.0337       64.77554 70.10931 26.10070 83.90042 16.73583 -13.79111      31.00540 
1 1 1 -13 -17 10 o 168.8380 14.63985 702.8250       117.0054 840.7615       221.0762 649.1538       137.9027 178.9920 26.64561 160.8643 18.25331 18.12769       32.29817 
1 1 1 -13 -17 11 o 45.42245 19.32992 5.537400       73.53349 -102.6709      128.7839 57.88081       89.56996 48.60841 22.65673 57.78711 22.51277 -9.178696      31.93983 
1 1 1 -13 -17 12 o 113.9974 17.07378 328.5873       90.19342 478.8608       153.1539 248.7993       111.5978 134.6328 24.70418 96.61104 24.21204 38.02174       34.59074 
1 1 1 -13 -17 13 o 64.48196 19.97505 105.9542       67.90352 -98.33680      221.8870 127.0636       71.32553 66.07776 30.42645 69.90048 20.20638 -3.822723      36.52488 
1 1 1 -13 -17 14 o 53.64753 18.84232 66.42779       59.84624 45.15447       120.3167 73.42137       68.98560 60.82200 25.22711 56.64198 20.19818 4.180027       32.31676 
1 1 1 -13 -17 15 f 43.60911 19.46467 -22.86048      82.59819 -116.4839      124.8782 49.95458       110.1299 45.91994 21.68763 59.42382 24.33830 -13.50388      32.59917 
1 1 1 -13 -17 16 o 66.67365 25.06323 101.2175       108.4098 25.80765       266.0239 116.2349       118.7146 77.99834 34.86482 70.23288 26.26345 7.765465       43.65002 
1 1 1 -13 -17 17 o 76.81438 20.80264 160.0864       78.26345 -286.0188      195.7552 244.9591       85.38441 50.27628 24.57533 95.91317 19.28972 -45.63689      31.24165 
1 1 1 -13 -17 18 o 40.58990 19.41450 -119.5947      106.5988 -418.8473      204.0078 -7.203445      125.0242 46.42792 23.12372 54.22878 24.09177 -7.800861      33.39341 
1 1 1 -13 -16 1  o 204.0211 8.031303 1001.525       78.18441 1079.739       96.27113 850.0024       133.9966 211.5719 9.542211 186.3260 15.17347 25.24590       17.92451 
1 1 1 -13 -16 2  o 295.0211 9.422005 2097.239       132.7234 2247.779       251.8706 2039.368       156.1643 302.5493 17.48749 290.4212 11.26860 12.12808       20.80369 
1 1 1 -13 -16 3  o 273.7030 11.74631 1813.756       153.3477 1978.669       219.0785 1655.340       214.7200 284.3070 16.18459 259.4796 17.40930 24.82739       23.77025 
1 1 1 -13 -16 4  o 249.5273 10.52805 1504.339       125.3134 1351.216       158.6778 1758.111       204.2769 235.4413 14.16242 267.9770 16.01769 -32.53566      21.38084 
1 1 1 -13 -16 5  o 243.0682 9.559635 1424.953       110.8741 1456.733       196.2603 1410.056       134.3707 243.4811 16.96619 241.2654 11.68407 2.215683       20.60022 
1 1 1 -13 -16 6  o 103.3326 12.27071 261.8453       59.43764 177.8228       103.3079 303.4209       72.67004 83.32529 24.38548 110.9462 14.01241 -27.62087      28.12471 
1 1 1 -13 -16 7  o 240.7717 10.82726 1402.089       124.3140 1705.397       188.5440 1168.830       165.3446 264.2279 14.98684 218.2673 15.95525 45.96062       21.89007 
1 1 1 -13 -16 8  o 133.7545 11.28415 435.4164       71.48579 536.2640       124.5121 385.8300       87.30919 146.6500 18.14586 124.9970 14.90326 21.65294       23.48147 
1 1 1 -13 -16 9  o 55.25227 18.28455 72.33983       56.20834 373.2320       173.9499 37.26013       59.39457 117.5881 30.63880 47.46402 18.37649 70.12408       35.72718 
1 1 1 -13 -16 10 o 222.6658 10.15687 1200.225       107.8392 1455.881       191.6753 1081.822       130.4423 242.8298 16.61035 210.5155 13.02441 32.31435       21.10779 
1 1 1 -13 -16 11 o 120.9519 15.70439 364.5475       88.66976 377.3056       197.0707 361.3091       99.28765 116.7669 33.53643 119.6992 17.89858 -2.932243      38.01383 
1 1 1 -13 -16 12 o 70.97274 18.45751 129.6782       63.20857 134.2672       139.5859 128.4945       70.89364 77.35146 28.56324 70.70169 20.05261 6.649773       34.89937 
1 1 1 -13 -16 13 o 154.5777 12.41557 585.3262       90.98228 535.8798       150.5894 613.7515       114.1771 143.9271 22.63103 157.3197 15.37666 -13.39255      27.36065 
1 1 1 -13 -16 14 o 190.0174 13.26728 887.6450       119.7697 863.1472       224.7486 897.3614       141.5424 179.9865 26.94621 190.0122 15.72164 -10.02568      31.19725 
1 1 1 -13 -16 15 o 123.4472 14.14003 380.0215       81.94837 290.5047       146.0312 421.1695       99.00731 102.0790 28.72091 129.1550 16.40375 -27.07603      33.07528 
1 1 1 -13 -16 16 o 59.19403 23.47247 61.28730       98.87447 -116.2920      182.4177 135.1613       117.6567 57.69767 26.91712 73.76973 26.36994 -16.07206      37.68163 
1 1 1 -13 -16 17 o 65.21678 21.42947 108.6646       77.25394 -5.479335      328.1383 115.3626       79.48827 82.62482 37.65154 66.87473 21.72223 15.75009       43.46831 
1 1 1 -13 -16 18 o 94.98761 19.19796 239.3085       84.18034 500.6845       202.4767 184.6884       92.55901 128.4039 32.85232 82.04299 22.78680 46.36095       39.98141 
1 1 1 -13 -16 19 o 134.5644 20.48130 484.2727       127.6127 443.8612       238.3032 500.5207       151.1047 114.5251 37.63737 133.9320 24.50115 -19.40685      44.90967 
1 1 1 -13 -15 1  o 161.7473 9.281030 631.2145       71.46846 582.5369       107.1894 670.1741       95.89454 154.2687 14.71126 166.1455 12.15663 -11.87677      19.08415 
1 1 1 -13 -15 2  o 420.6876 9.436651 4257.854       189.7955 4445.506       214.9691 3594.448       404.1930 429.5407 10.46799 380.3824 22.32407 49.15833       24.65650 
1 1 1 -13 -15 3  o 84.16735 12.98126 175.3010       50.55826 131.6535       67.97191 229.3545       75.64188 71.98188 19.34061 95.54173 17.19211 -23.55984      25.87717 
1 1 1 -13 -15 4  o 281.2452 11.74347 1913.957       157.5553 2179.427       225.3328 1660.021       220.3833 298.7030 15.83547 259.8094 17.85102 38.89362       23.86255 
1 1 1 -13 -15 5  o 243.3032 8.916903 1425.750       103.5464 1824.084       172.8850 1202.930       129.3037 274.0562 13.23412 222.7113 12.19045 51.34499       17.99302 
1 1 1 -13 -15 6  o 318.2761 12.27449 2454.277       186.4236 2905.048       270.3159 2045.424       257.4406 344.5164 16.45930 287.9000 18.80663 56.61639       24.99195 
1 1 1 -13 -15 7  o 29.11841 13.00311 -14.92676      36.90807 97.65655       86.62492 -39.89743      40.79632 65.38725 22.68900 27.05142 12.65580 38.33584       25.97999 
1 1 1 -13 -15 8  o 84.35267 15.04467 178.1417       58.44658 340.4030       168.2833 155.8842       62.32639 113.1427 30.44554 78.37395 17.11450 34.76879       34.92617 
1 1 1 -13 -15 9  f 280.7368 9.756674 1901.234       130.7522 2407.474       247.7810 1705.865       153.9283 313.3485 16.59908 265.2273 12.17170 48.12122       20.58349 
1 1 1 -13 -15 10 f 88.76000 19.28420 201.5467       79.48795 128.4138       182.0820 218.7656       88.35136 82.40829 32.10009 92.25068 20.55833 -9.842384      38.11904 
1 1 1 -13 -15 11 o 116.0987 14.27217 333.2607       77.55333 220.0909       128.4019 398.2556       97.30743 91.66883 27.28080 126.4168 16.49317 -34.74792      31.87894 
1 1 1 -13 -15 12 o 163.2476 12.45660 651.0306       96.48563 654.8777       190.2574 649.6987       111.9494 158.3148 26.04157 162.4444 14.56937 -4.129623      29.84008 
1 1 1 -13 -15 13 o 85.18338 18.29429 186.2996       72.27912 123.5038       108.4754 236.4417       96.93208 72.32438 25.37040 95.20741 21.77044 -22.88303      33.43066 
1 1 1 -13 -15 14 o 122.4750 14.64686 372.4122       84.06463 486.6326       181.8302 341.3613       94.80504 133.9742 29.21342 116.2322 17.61181 17.74197       34.11158 
1 1 1 -13 -15 15 o 45.16557 18.57517 19.86804       64.48917 -11.06676      251.9728 22.03642       66.71107 77.04276 34.21589 46.16538 18.92913 30.87738       39.10293 
1 1 1 -13 -15 16 o 54.06160 19.96584 61.38861       68.20681 -24.87630      182.1805 75.45145       73.55653 64.92124 28.94703 57.96089 20.83456 6.960354       35.66524 
1 1 1 -13 -15 17 o 54.68084 22.97914 26.19055       101.7850 193.0558       187.7973 -43.21594      121.1174 87.31297 32.95133 51.15261 23.13728 36.16036       40.26318 
1 1 1 -13 -15 18 o 78.82626 21.88078 166.9645       85.37181 -236.5092      351.3544 192.2797       88.00932 74.33804 35.47158 84.52317 21.67705 -10.18513      41.57076 
1 1 1 -13 -15 19 o 67.19169 21.80188 117.9572       80.08424 107.7867       226.3326 119.4128       85.62338 79.73576 33.92172 67.80849 22.57147 11.92727       40.74500 
1 1 1 -13 -15 20 o 58.65711 25.29339 26.44746       128.9950 -64.52474      240.6225 63.13601       152.8084 67.60156 31.32459 66.21693 28.00876 1.384636       42.02048 
1 1 1 -13 -14 1  o 79.34311 11.20607 154.6584       41.32597 156.1084       61.04350 153.4315       56.15017 78.64497 16.74890 78.16229 15.57318 0.4826736      22.87027 
1 1 1 -13 -14 2  o 197.4029 8.681310 938.0477       81.73041 1013.574       121.5562 875.7329       110.4140 204.4658 12.49472 190.0620 12.21593 14.40382       17.47418 
1 1 1 -13 -14 3  o 272.9018 9.367820 1793.120       122.0419 1912.100       152.2966 1579.614       204.0137 281.3567 11.34530 254.0484 16.89307 27.30832       20.34925 
1 1 1 -13 -14 4  o 94.95207 12.53004 221.5207       55.49383 309.0627       112.0603 193.0766       63.87624 110.0428 22.06878 87.83688 15.79135 22.20589       27.13665 
1 1 1 -13 -14 5  o 191.4412 10.56471 885.8442       96.31944 943.0443       144.2428 839.8134       129.3960 196.3309 15.49276 185.4200 14.71739 10.91092       21.36884 
1 1 1 -13 -14 6  o 128.5288 11.43012 401.8342       69.50410 467.5229       108.9857 356.8040       90.23518 137.3979 16.95029 119.9890 16.13875 17.40889       23.40452 
1 1 1 -13 -14 7  o 433.9341 10.65824 4541.248       221.1147 4733.645       257.6556 4003.563       430.7290 442.2656 12.19728 400.7637 22.57180 41.50183       25.65658 
1 1 1 -13 -14 8  o 346.0898 13.88667 2912.143       229.3045 2966.140       331.0310 2862.334       317.9364 346.1458 20.08961 340.2827 19.62630 5.863098       28.08530 
1 1 1 -13 -14 9  o 221.6534 9.912931 1186.169       104.7815 1353.500       184.0446 1105.919       127.4542 234.8133 16.49929 213.3672 12.54989 21.44611       20.72984 
1 1 1 -13 -14 10 o 172.5804 11.56554 722.9037       94.87492 941.2653       187.9879 648.2772       109.8976 194.1198 20.56848 162.7319 14.26989 31.38791       25.03382 
1 1 1 -13 -14 11 o 205.0308 10.40174 1016.720       101.6277 1232.380       174.0756 905.2067       125.1746 223.9449 16.37191 192.5969 13.68347 31.34801       21.33721 
1 1 1 -13 -14 12 o 270.6880 9.423880 1768.075       121.7710 1668.171       199.0010 1827.873       153.9601 260.6060 16.04998 274.5229 11.75786 -13.91684      19.89596 
1 1 1 -13 -14 13 o 208.6049 10.86105 1055.707       107.9459 1142.804       172.2234 999.3522       138.5347 214.8795 16.90036 201.8038 14.45462 13.07574       22.23866 
1 1 1 -13 -14 14 o 112.4349 16.23278 316.7532       84.73390 523.1439       117.9425 96.58727       121.8149 144.5975 17.41081 69.53088 26.46983 75.06663       31.68262 
1 1 1 -13 -14 15 o 262.5562 10.76519 1673.041       134.8436 1744.847       219.2014 1629.325       171.0338 264.9784 17.39939 257.7952 13.92883 7.183258       22.28792 
1 1 1 -13 -14 16 o 226.9195 12.75431 1259.739       137.8115 1656.252       241.8357 1069.055       167.7060 256.2737 19.89392 207.0848 17.09120 49.18898       26.22741 
1 1 1 -13 -14 17 o 106.9102 17.51988 291.7030       86.44960 69.31776       206.2409 339.1052       95.21838 76.81902 32.51842 115.3142 17.84751 -38.49519      37.09422 
1 1 1 -13 -14 18 o 202.5956 15.98865 1028.823       153.6095 1238.993       372.7754 985.8362       168.5881 200.3658 40.31258 197.0259 18.09970 3.339874       44.18940 
1 1 1 -13 -14 19 o 161.2472 15.82799 655.7453       120.4482 631.1316       244.9612 663.5938       138.3249 143.8688 35.76699 160.8342 18.31521 -16.96539      40.18364 
1 1 1 -13 -14 20 o 64.26451 23.61887 97.26116       95.25455 238.6357       240.3771 70.92547       103.7481 93.13409 36.70249 60.95648 24.08422 32.17761       43.89900 
1 1 1 -13 -14 21 o 64.39351 28.10576 31.46336       163.2807 -71.76722      407.1873 51.24321       178.2385 82.24915 38.93999 68.20224 29.57055 14.04691       48.89520 
1 1 1 -13 -13 1  o 207.4452 9.289085 1036.341       91.89284 1152.880       150.5319 967.1149       116.0188 217.6922 14.54711 199.8403 12.20146 17.85196       18.98668 
1 1 1 -13 -13 2  o 227.4667 10.79216 1248.769       117.0292 1305.183       167.0688 1194.420       163.9830 231.4954 15.17913 221.2965 15.59939 10.19890       21.76573 
1 1 1 -13 -13 3  o 80.05652 11.37883 157.4998       42.32637 237.4177       65.30081 99.59711       55.58353 98.01057 14.36200 63.02529 17.71465 34.98528       22.80517 
1 1 1 -13 -13 4  f 72.11958 15.98407 131.2667       53.66325 78.40684       78.62491 177.3651       73.42432 60.43341 21.56177 83.56458 18.83105 -23.13116      28.62723 
1 1 1 -13 -13 5  o 96.43723 12.17299 228.0113       54.87621 103.8835       92.85501 294.6342       68.02722 67.66853 23.49017 109.5956 13.25197 -41.92712      26.97040 
1 1 1 -13 -13 6  o 34.06000 15.68168 -43.79113      58.91759 5.409482       135.6215 -55.23665      65.41258 61.02501 26.11831 35.10270 16.28863 25.92231       30.78125 
1 1 1 -13 -13 7  o 206.7135 10.89580 1033.140       107.3001 1297.570       174.9702 873.7548       135.8417 230.3062 15.99026 189.0199 15.15900 41.28630       22.03369 
1 1 1 -13 -13 8  o 271.8711 11.69293 1788.567       151.6276 2019.221       222.1557 1587.410       207.4649 287.3184 16.23892 254.3001 17.16492 33.01830       23.62915 
1 1 1 -13 -13 9  o 42.41402 17.65200 11.40799       59.19393 9.454021       93.82977 12.69977       76.29140 51.80139 21.93119 47.66016 19.95269 4.141228       29.64940 
1 1 1 -13 -13 10 o 80.99500 20.02572 168.1639       77.10242 77.49043       168.6723 192.1151       86.68958 74.81869 30.31541 86.41579 21.15599 -11.59710      36.96755 
1 1 1 -13 -13 11 o 110.5065 11.53405 298.2179       60.04043 456.3710       100.4181 210.2223       74.90377 135.9342 15.74233 91.11554 17.83375 44.81863       23.78789 
1 1 1 -13 -13 12 o 186.5628 12.05530 845.6818       106.9499 868.9413       173.2138 831.3510       135.9623 186.6637 19.70660 183.9705 15.60541 2.693161       25.13720 
1 1 1 -13 -13 13 o 230.3360 11.59187 1286.903       127.2405 1461.264       187.2705 1137.385       173.4173 243.8615 16.15372 214.6853 17.03549 29.17627       23.47660 
1 1 1 -13 -13 14 o 137.0078 13.90775 462.0439       89.83742 461.6042       174.8893 462.2015       104.7080 131.3575 28.65642 136.2784 16.40030 -4.920944      33.01757 
1 1 1 -13 -13 15 o 103.1251 18.26333 270.5209       86.74842 189.3913       119.1315 362.0945       126.5674 85.34771 26.46106 117.8305 23.29346 -32.48277      35.25299 
1 1 1 -13 -13 16 o 108.3454 18.27479 298.7066       91.29670 244.4169       127.7244 355.4231       130.5480 95.55696 26.85139 116.0770 24.30479 -20.51999      36.21767 
1 1 1 -13 -13 17 o 353.7170 12.70288 3055.433       214.4671 3100.790       276.8301 2987.341       339.1863 353.8535 16.40837 343.7778 20.73363 10.07571       26.44084 
1 1 1 -13 -13 18 o 96.84221 21.71504 247.7042       98.05170 267.3713       281.8615 244.9965       104.5838 102.1226 39.89265 95.83571 23.09883 6.286850       46.09750 
1 1 1 -13 -13 19 o 189.2419 15.51886 896.3479       139.1736 918.7710       216.6982 880.6053       181.5707 185.2189 25.11831 184.2299 20.98858 0.9889526      32.73301 
1 1 1 -13 -13 20 o 92.10782 22.08530 229.2744       95.99464 264.6753       194.8119 217.9225       110.3174 95.90327 33.96835 88.84599 24.95078 7.057289       42.14724 
1 1 1 -13 -13 21 o 49.65595 24.25790 -282.0531      189.9160 -282.0531      189.9160 0.000000       0.000000 49.65595 24.25790 ?        ?        0.000000       24.25790 
1 1 1 -13 -13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -12 1  o 202.7337 9.824004 990.5587       94.93539 873.5790       123.3607 1160.467       148.6720 189.6056 13.70113 218.5194 14.30958 -28.91379      19.81124 
1 1 1 -13 -12 2  o 149.9372 9.696548 542.7408       69.13527 566.3608       102.0481 522.7030       93.99204 152.3477 14.17330 146.4332 13.58063 5.914459       19.62947 
1 1 1 -13 -12 3  o 155.7748 9.655292 585.6519       71.55351 564.9041       106.3739 602.7975       96.70032 151.9900 14.82732 157.4548 12.96052 -5.464844      19.69326 
1 1 1 -13 -12 4  o 279.2552 12.32915 1885.777       164.1991 1789.168       236.2571 1976.042       228.3691 270.0918 18.40636 284.4709 16.86728 -14.37915      24.96596 
1 1 1 -13 -12 5  o 282.5135 10.45793 1924.090       141.0078 2042.761       185.0599 1759.820       217.7300 290.3425 13.36781 268.2802 17.06389 22.06235       21.67659 
1 1 1 -13 -12 6  o 51.28299 19.32117 48.21624       64.50563 -142.3985      138.8603 100.6686       72.84211 48.82150 23.00037 64.61383 20.77804 -15.79234      30.99587 
1 1 1 -13 -12 7  o 217.5980 11.14507 1144.539       115.5571 1257.374       177.0572 1060.812       152.5193 226.6598 16.45117 208.4012 15.41709 18.25859       22.54613 
1 1 1 -13 -12 8  o 176.6839 10.37781 754.5460       87.27593 942.5895       144.0310 645.4387       109.7119 196.3110 15.47123 162.5355 14.26322 33.77556       21.04278 
1 1 1 -13 -12 9  o 181.5614 10.53935 797.2433       91.09083 772.5222       151.0905 811.3598       114.1739 176.7192 18.14047 182.5797 13.16842 -5.860565      22.41615 
1 1 1 -13 -12 10 o 201.2608 11.70481 982.0298       112.1383 976.6049       179.7037 985.4894       143.5075 198.3938 19.18524 200.7011 15.06600 -2.307251      24.39380 
1 1 1 -13 -12 11 o 134.0230 11.62634 437.3095       73.75938 586.4495       113.5911 328.5805       96.98840 154.3467 15.60778 114.3465 18.36290 40.00014       24.09977 
1 1 1 -13 -12 12 o 393.6903 12.16565 3754.553       228.7056 3745.675       277.5505 3773.332       403.6680 391.9674 14.83777 389.0744 21.78822 2.893005       26.36068 
1 1 1 -13 -12 13 o 269.4080 13.06375 1764.351       167.7607 1604.208       247.3741 1900.719       228.2743 253.7469 20.56747 277.9528 17.26341 -24.20589      26.85231 
1 1 1 -13 -12 14 o 176.1427 13.98256 759.4009       116.7841 964.2678       229.7804 688.0513       135.6041 193.8532 25.40385 166.5777 17.27800 27.27542       30.72271 
1 1 1 -13 -12 15 o 180.8142 12.95907 798.9711       111.2820 928.3763       180.8801 720.1613       141.1579 192.2334 19.97206 170.0359 17.61930 22.19753       26.63312 
1 1 1 -13 -12 16 o 215.5534 13.75339 1138.522       140.9943 1709.068       269.1369 922.7095       165.5262 259.7349 21.87695 192.1526 18.23652 67.58224       28.48108 
1 1 1 -13 -12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -12 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -12 20 o 105.4960 27.87080 313.0907       142.6495 224.0235       325.1264 334.3237       158.7449 98.05315 41.12899 108.1000 29.77193 -10.04684      50.77363 
1 1 1 -13 -12 21 o 146.3762 17.52979 549.1551       120.2381 364.8976       338.2575 575.8040       128.6395 107.9299 43.21053 149.4342 18.39360 -41.50430      46.96247 
1 1 1 -13 -12 22 o 119.7965 27.26333 410.7111       152.6235 682.6281       357.1255 349.9500       168.8167 133.9080 46.08709 107.8633 31.05813 26.04468       55.57542 
1 1 1 -13 -12 23 o 63.16675 23.21570 98.12278       92.03080 5.362183       222.3705 117.2948       101.0950 69.16421 31.31095 67.46342 24.40228 1.700790       39.69694 
1 1 1 -13 -11 1  o 129.6758 9.983259 406.6333       61.41663 515.8483       95.68189 330.1040       80.09451 145.4449 13.93019 115.8823 14.79386 29.56268       20.32015 
1 1 1 -13 -11 2  o 310.4387 9.462631 2318.099       140.2778 2413.310       168.6893 2104.671       252.5647 316.3725 11.17024 293.3569 18.09618 23.01553       21.26608 
1 1 1 -13 -11 3  o 279.3072 9.529745 1877.325       127.0677 2120.862       163.8547 1509.906       201.2604 296.4307 11.58415 248.5800 17.03797 47.85075       20.60304 
1 1 1 -13 -11 4  o 134.1386 11.19292 436.4080       71.12674 489.6025       107.1772 394.5420       95.08228 141.0913 16.18136 126.4916 16.08615 14.59969       22.81668 
1 1 1 -13 -11 5  o 319.9293 10.16633 2465.240       155.3013 2695.811       293.7785 2375.817       182.9550 331.7043 18.59960 313.5402 12.22858 18.16406       22.25945 
1 1 1 -13 -11 6  o 240.1566 10.44170 1390.991       119.6011 1409.938       195.6142 1379.680       151.1428 240.0067 17.16106 238.5203 13.30696 1.486420       21.71583 
1 1 1 -13 -11 7  o 343.1745 11.56981 2843.631       189.5520 2805.294       234.6530 2915.628       321.5684 339.8929 14.47341 344.3064 19.61646 -4.413574      24.37796 
1 1 1 -13 -11 8  o 151.4457 14.98170 561.9955       107.0544 543.0616       190.8711 570.6853       129.3081 144.4552 28.64959 151.7656 18.18302 -7.310349      33.93259 
1 1 1 -13 -11 9  o 242.5417 12.10911 1424.459       139.9689 1489.311       209.9899 1372.610       187.7617 246.1544 17.96734 236.7113 16.69844 9.443100       24.52882 
1 1 1 -13 -11 10 o 289.8275 12.87864 2037.202       178.0049 2097.084       259.0947 1983.670       244.9724 291.7875 18.67103 283.9939 18.13742 7.793610       26.03024 
1 1 1 -13 -11 11 o 189.7374 16.95194 886.9361       152.1551 0.000000       0.000000 886.9361       152.1551 ?        ?        189.7374 16.95194 0.000000       16.95194 
1 1 1 -13 -11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -11 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -11 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -11 15 o 90.60535 26.42241 214.2131       121.4755 98.16772       253.5850 248.7729       138.3868 87.66917 36.51500 97.14484 28.16482 -9.475670      46.11510 
1 1 1 -13 -11 16 o 44.04937 18.91889 -0.4847391     71.62131 -101.3980      158.9128 25.23849       80.23199 55.58836 25.65132 50.41501 20.72478 5.173347       32.97737 
1 1 1 -13 -11 17 o 82.67931 20.67046 177.8884       81.48061 55.58997       170.8498 213.8942       92.70221 71.60326 29.90906 90.45562 21.71230 -18.85236      36.95911 
1 1 1 -13 -11 18 o 56.23403 24.33868 0.9416363      120.3191 227.6037       295.3589 -44.15606      131.7461 100.8337 40.37486 54.12932 24.33869 46.70435       47.14341 
1 1 1 -13 -11 19 o 120.0647 22.65888 378.1139       125.2984 969.0864       316.7040 268.4462       136.4298 182.7373 37.50859 99.27013 27.69973 83.46713       46.62799 
1 1 1 -13 -11 20 o 59.92102 20.97062 84.73055       74.08623 103.0704       192.5875 81.54511       80.26273 77.90129 32.07553 60.07121 21.74113 17.83008       38.74941 
1 1 1 -13 -11 21 o 49.77718 22.63414 -47.43980      117.7784 115.8225       194.5740 -141.8536      147.9652 78.32831 32.24482 49.20796 23.34863 29.12035       39.81064 
1 1 1 -13 -11 22 o 127.3045 17.56119 418.0454       104.0382 533.7998       216.6875 383.3669       118.6029 132.0778 34.08670 119.7147 21.51311 12.36313       40.30778 
1 1 1 -13 -11 23 o 44.14009 21.14162 -141.4859      127.3571 -391.9211      210.5794 2.947124       159.9195 48.53895 24.05884 61.38908 27.26147 -12.85013      36.35953 
1 1 1 -13 -11 24 o 111.8201 20.76943 341.9893       106.9468 453.9886       234.9109 312.7063       120.1169 113.4183 37.37319 104.2901 24.50833 9.128242       44.69244 
1 1 1 -13 -10 1  o 302.6706 8.152475 2199.352       117.8616 2334.684       175.8363 2088.943       158.8223 311.1149 11.84331 294.3808 11.30581 16.73407       16.37331 
1 1 1 -13 -10 2  o 309.5370 8.428177 2301.200       124.6092 2235.380       185.9247 2354.876       167.8988 304.1338 12.81559 312.5555 11.25438 -8.421753      17.05580 
1 1 1 -13 -10 3  o 379.1816 11.30410 3465.633       204.6945 0.000000       0.000000 3465.633       204.6945 ?        ?        379.1816 11.30410 0.000000       11.30410 
1 1 1 -13 -10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -10 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -10 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -10 9  o 125.0255 22.15461 396.8901       127.5782 396.8901       127.5782 0.000000       0.000000 125.0255 22.15461 ?        ?        0.000000       22.15461 
1 1 1 -13 -10 10 o 233.3529 11.34838 1316.943       126.2267 1267.063       215.7631 1342.898       155.6402 226.0735 20.17445 234.9664 13.91738 -8.892944      24.50922 
1 1 1 -13 -10 11 o 189.4110 12.21084 871.0129       109.9864 698.0859       170.9836 993.0722       143.6510 166.5074 22.01804 201.5334 15.01710 -35.02594      26.65159 
1 1 1 -13 -10 12 o 185.1706 12.55908 833.9337       110.5250 950.7760       169.9869 748.3618       145.4725 195.9478 18.35922 173.8638 17.74977 22.08397       25.53654 
1 1 1 -13 -10 13 o 237.0446 12.20828 1363.825       137.8883 1568.926       213.8285 1217.824       180.4100 252.1855 17.85060 222.3300 17.10420 29.85550       24.72241 
1 1 1 -13 -10 14 o 204.0579 12.65613 1013.011       122.8626 1036.197       198.8455 998.6934       156.2596 203.4809 20.72929 201.4354 16.36656 2.045547       26.41151 
1 1 1 -13 -10 15 o 152.3561 13.94426 569.0602       100.4445 424.3718       179.8583 634.6389       121.0863 125.8375 30.26733 160.3533 16.00831 -34.51575      34.24000 
1 1 1 -13 -10 16 o 164.5729 16.34507 670.3726       126.9059 658.5065       278.0971 673.4935       142.6217 152.6572 38.20003 164.1889 18.49023 -11.53166      42.43974 
1 1 1 -13 -10 17 o 295.4695 11.07540 2118.481       156.1748 2525.796       298.7973 1965.379       183.1898 317.6251 19.77485 283.5244 13.55383 34.10071       23.97396 
1 1 1 -13 -10 18 o 135.0806 14.75603 452.5273       93.74702 432.0088       193.9959 458.7787       107.0799 124.4902 32.31569 135.2691 16.92729 -10.77888      36.48064 
1 1 1 -13 -10 19 o 133.0834 15.40188 441.6482       96.18876 261.3289       197.2607 497.8988       110.1750 98.73323 34.23962 140.9222 16.67565 -42.18898      38.08450 
1 1 1 -13 -10 20 o 92.33195 27.33182 231.6214       129.1582 69.50736       390.0681 251.5840       136.8797 95.21349 42.41145 95.86520 28.07336 -0.6517105     50.86103 
1 1 1 -13 -10 21 o 86.20589 21.86678 199.2894       90.24490 122.1680       400.3977 203.4169       92.62832 96.24427 42.91361 86.99580 22.20036 9.248466       48.31598 
1 1 1 -13 -10 22 o 151.7645 22.69602 616.0001       159.6257 1099.544       351.9741 490.7947       179.1035 183.9150 41.06922 130.5638 29.40231 53.35120       50.50917 
1 1 1 -13 -10 23 o 93.76783 23.39759 243.5931       104.5452 822.7511       236.2721 102.5964       116.5785 167.8397 30.57080 67.29732 25.82657 100.5424       40.01982 
1 1 1 -13 -10 24 f 154.4464 21.63908 647.7741       155.4028 403.3753       250.3366 801.0058       198.2208 107.2639 38.45054 168.3710 25.41558 -61.10714      46.09117 
1 1 1 -13 -10 25 o 180.6736 19.47357 875.2916       165.5552 989.1680       273.0620 809.1008       208.1821 174.7937 33.89945 165.6535 27.23204 9.140167       43.48283 
1 1 1 -13 -9  1  o 380.7014 7.804730 3475.451       142.0531 3704.217       209.3836 3280.361       193.3587 392.2296 11.17730 369.1385 10.96852 23.09109       15.66016 
1 1 1 -13 -9  2  o 288.4962 9.270067 2000.779       127.6930 1723.197       234.5010 2117.777       152.2437 265.4224 18.59755 296.5354 10.75659 -31.11298      21.48425 
1 1 1 -13 -9  3  o 149.7194 11.29897 542.6708       80.28012 602.4338       134.8068 509.8292       99.93285 156.2612 18.39693 144.4558 14.67326 11.80544       23.53193 
1 1 1 -13 -9  4  o 244.1792 11.65796 1439.813       135.7010 1393.970       196.7968 1481.369       187.3705 238.7863 17.35704 246.6050 15.97848 -7.818680      23.59192 
1 1 1 -13 -9  5  o 309.1044 13.11172 2311.989       193.3239 2227.414       278.0211 2391.168       269.0042 301.2206 19.40896 312.6762 18.07217 -11.45557      26.52002 
1 1 1 -13 -9  6  o 142.8447 11.46267 494.8890       77.62476 660.2539       127.9722 398.6281       97.63800 163.9918 16.54857 127.0493 16.46111 36.94254       23.34145 
1 1 1 -13 -9  7  o 277.5255 12.59619 1863.788       166.6928 1851.553       245.5913 1874.239       226.9849 274.5707 18.82285 276.8485 17.23478 -2.277802      25.52131 
1 1 1 -13 -9  8  o 267.3489 10.41081 1723.453       132.8129 1931.998       232.7624 1622.777       161.7240 280.9632 17.41385 258.7511 13.11604 22.21210       21.80075 
1 1 1 -13 -9  9  o 512.5788 18.89739 6444.169       462.3030 6275.166       657.7707 6609.148       649.8909 498.6100 27.70229 512.7925 26.59975 -14.18243      38.40525 
1 1 1 -13 -9  10 o 232.6731 11.28625 1309.024       125.1719 1225.191       217.2940 1350.659       153.1313 222.1004 20.70241 235.7393 13.64531 -13.63885      24.79485 
1 1 1 -13 -9  11 o 46.64491 18.13390 34.35199       58.01892 67.55643       113.0968 22.49244       67.59061 64.46337 25.24393 46.93061 19.12560 17.53276       31.67088 
1 1 1 -13 -9  12 o 330.0601 14.68697 2654.316       231.1770 2198.996       336.4806 3061.393       318.1557 295.6771 24.00955 352.3374 18.95722 -56.66031      30.59142 
1 1 1 -13 -9  13 o 229.6858 12.75082 1282.283       139.4674 1162.208       216.6315 1367.282       182.2642 215.4489 21.31029 236.0027 16.25310 -20.55386      26.80096 
1 1 1 -13 -9  14 o 48.44383 19.48985 29.11418       69.16968 141.8604       242.8109 19.15662       72.15953 90.82585 36.52478 47.49383 19.60253 43.33202       41.45261 
1 1 1 -13 -9  15 o 180.6314 12.89852 795.4048       110.6557 686.4265       193.4961 848.3657       134.8900 163.0934 25.66268 185.8536 15.31684 -22.76027      29.88610 
1 1 1 -13 -9  16 o 46.51160 18.68468 27.18220       63.47183 -98.69579      267.4287 34.69629       65.33880 74.99889 34.10411 48.46202 19.12375 26.53687       39.09998 
1 1 1 -13 -9  17 o 214.2189 14.16238 1124.809       144.2311 1141.964       300.0516 1119.654       164.4800 206.4624 31.38502 212.8845 16.28432 -6.422134      35.35815 
1 1 1 -13 -9  18 o 163.5376 15.65652 663.3035       120.9182 793.0447       233.7693 615.9110       141.2874 171.7565 29.53305 156.0640 19.35043 15.69257       35.30779 
1 1 1 -13 -9  19 o 126.1840 21.59988 412.6984       125.6233 471.1032       230.6061 388.0527       149.8017 127.6411 36.15409 119.9703 26.79507 7.670868       45.00105 
1 1 1 -13 -9  20 o 141.1071 16.87444 500.7404       111.5836 421.3597       239.9720 522.6379       126.0378 119.7723 37.62039 143.3530 18.84620 -23.58076      42.07698 
1 1 1 -13 -9  21 o 192.5291 16.75540 932.0028       152.6921 966.5696       271.5092 916.0130       184.6611 185.1263 31.82349 188.3763 20.85288 -3.250031      38.04704 
1 1 1 -13 -9  22 o 43.70394 19.89135 -42.04061      91.23240 22.13983       351.3724 -46.68018      94.47243 85.81374 39.04921 44.09017 20.13410 41.72357       43.93430 
1 1 1 -13 -9  23 o 97.03294 31.36711 279.3182       165.8631 95.33807       377.5887 323.3063       184.6297 89.90193 40.73963 103.0640 33.07386 -13.16207      52.47474 
1 1 1 -13 -9  24 o 47.38946 21.39476 -29.47969      102.9893 -368.2137      390.9135 -4.214446      106.7611 70.73537 34.60823 50.93386 22.46257 19.80151       41.25890 
1 1 1 -13 -9  25 o 58.19307 24.26803 52.96730       112.2109 -432.2293      532.5723 75.50717       114.7877 76.62902 38.03029 61.60889 24.99194 15.02013       45.50714 
1 1 1 -13 -8  1  o 477.4171 10.06460 5475.990       229.7223 5543.154       254.5913 5181.712       532.9097 480.0771 11.09237 458.2312 24.41355 21.84595       26.81533 
1 1 1 -13 -8  2  f 163.4790 9.843477 644.3597       76.57771 567.6932       118.8218 698.8251       100.1507 152.1568 16.60324 169.8581 12.41854 -17.70132      20.73373 
1 1 1 -13 -8  3  f 288.4378 8.593490 1998.501       118.3711 1973.122       182.8983 2016.792       155.2766 285.5964 13.43282 289.2550 11.24982 -3.658569      17.52139 
1 1 1 -13 -8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -8  5  o 415.4924 15.59050 4192.480       309.1438 4308.930       441.4583 4080.422       433.0535 417.9119 22.17450 406.5409 22.36689 11.37106       31.49582 
1 1 1 -13 -8  6  o 205.4077 11.79186 1020.627       115.3131 1015.595       183.1176 1023.933       148.4424 202.9810 19.09402 204.9320 15.26049 -1.951050      24.44308 
1 1 1 -13 -8  7  o 271.4458 11.76224 1780.370       152.2823 1699.214       207.1313 1875.839       224.6537 263.8082 16.50558 277.0397 17.04397 -13.23148      23.72617 
1 1 1 -13 -8  8  o 49.49162 19.71926 32.36848       70.10495 22.21429       100.3051 42.06548       98.02106 55.32525 22.99793 57.72762 23.20946 -2.402367      32.67390 
1 1 1 -13 -8  9  o 159.5354 12.53715 618.6229       94.85564 510.2029       145.1026 699.5307       125.3475 142.2388 22.05109 168.9533 15.69773 -26.71454      27.06787 
1 1 1 -13 -8  10 o 205.9395 11.84278 1027.333       116.1090 1030.298       179.4308 1025.196       152.2925 204.3036 18.57294 204.7185 15.67945 -0.4149170     24.30636 
1 1 1 -13 -8  11 o 281.7836 13.00720 1926.063       174.7570 1764.546       250.3888 2079.470       244.0217 267.1504 19.74380 291.0779 17.61769 -23.92755      26.46130 
1 1 1 -13 -8  12 o 207.4534 11.93957 1043.772       117.9178 1015.005       196.5511 1059.948       147.3881 201.7083 20.67406 208.2339 14.90334 -6.525650      25.48581 
1 1 1 -13 -8  13 o 228.6519 11.81886 1267.774       128.7604 1617.766       258.9908 1152.865       148.4000 254.4235 21.49297 217.2703 14.36712 37.15318       25.85270 
1 1 1 -13 -8  14 o 337.2135 10.33688 2746.554       166.4522 2163.318       336.9129 2934.883       191.4492 292.3912 24.32157 348.1632 11.51756 -55.77194      26.91083 
1 1 1 -13 -8  15 o 164.1063 13.59233 658.8591       105.6862 743.4750       185.4857 618.1832       128.6037 170.8352 23.31843 157.7941 17.33224 13.04109       29.05436 
1 1 1 -13 -8  16 o 145.4047 17.48325 526.6429       119.1018 228.7324       306.6285 579.5757       129.2505 104.3773 41.35260 152.4193 18.08950 -48.04205      45.13610 
1 1 1 -13 -8  17 o 216.2470 13.33808 1142.185       137.2250 1246.531       252.2239 1098.312       163.5488 220.7167 24.30429 210.9138 16.34689 9.802841       29.29025 
1 1 1 -13 -8  18 o 96.89403 20.35406 243.1360       91.28442 243.2300       215.5106 243.1154       100.7708 97.95519 35.60069 96.30612 22.32264 1.649071       42.02034 
1 1 1 -13 -8  19 o 207.9399 14.53290 1066.080       143.5674 1037.734       264.3333 1077.941       170.9852 196.6977 28.97606 207.7605 17.37312 -11.06279      33.78516 
1 1 1 -13 -8  20 o 185.7046 16.16989 859.6074       142.1316 1091.436       228.9300 714.1990       181.3069 204.8054 23.82468 165.3808 23.59947 39.42462       33.53432 
1 1 1 -13 -8  21 o 75.59329 23.27537 149.8095       92.36079 418.8087       204.8460 81.17033       103.4756 119.8762 34.11541 63.52184 24.34350 56.35433       41.91022 
1 1 1 -13 -8  22 o 188.6498 16.90744 901.4434       150.8751 1011.100       245.1817 834.6135       191.4061 191.5601 27.56415 177.2738 23.13561 14.28630       35.98664 
1 1 1 -13 -8  23 o 120.8094 20.07735 386.0822       111.8934 94.93430       230.8415 475.4965       127.9265 78.79612 33.90529 133.9778 20.63316 -55.18165      39.69000 
1 1 1 -13 -8  24 o 92.50819 25.80654 244.9327       118.4338 -22.40324      373.4923 274.8188       124.8785 82.37390 38.45765 97.77489 26.19031 -15.40099      46.52874 
1 1 1 -13 -8  25 o 68.27396 28.85138 83.49312       161.8871 -157.3477      389.3877 133.8204       177.9996 75.41662 36.33942 75.09126 30.86906 0.3253555      47.68073 
1 1 1 -13 -7  1  o 80.25598 13.08931 159.1772       48.49357 204.2666       91.87278 141.7632       57.09509 89.66430 21.67384 75.09850 16.36571 14.56580       27.15864 
1 1 1 -13 -7  2  o 215.6853 8.146226 1117.394       83.85021 1115.018       129.9804 1119.088       109.7373 214.7186 12.71891 215.4780 10.68563 -0.7594452     16.61185 
1 1 1 -13 -7  3  o 249.7832 8.823595 1499.527       105.2045 1435.963       192.3091 1526.675       125.6783 242.7390 16.67237 251.7625 10.46427 -9.023483      19.68423 
1 1 1 -13 -7  4  o 182.4448 10.83746 803.7256       94.10354 715.2098       142.0260 872.9953       125.6403 170.6130 17.66731 189.5656 13.96107 -18.95256      22.51767 
1 1 1 -13 -7  5  o 356.3511 9.558958 3054.194       162.7064 2659.673       333.5938 3177.341       186.3783 328.4947 21.35709 363.1783 10.74595 -34.68356      23.90817 
1 1 1 -13 -7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -7  7  o 670.4003 23.03853 11126.84       737.3124 11848.23       1045.894 10414.14       1039.569 680.7447 32.22775 635.3389 34.35245 45.40576       47.10328 
1 1 1 -13 -7  8  o 227.8322 10.53373 1252.655       114.4271 1276.922       190.6725 1238.995       143.0504 228.1243 17.61913 225.9511 13.30123 2.173218       22.07615 
1 1 1 -13 -7  9  o 219.2027 10.89601 1160.794       113.8304 1126.700       189.8310 1179.936       142.2402 213.7600 18.76538 220.3761 13.56624 -6.616058      23.15561 
1 1 1 -13 -7  10 o 188.6459 12.87176 864.6899       115.3942 970.4648       222.8521 825.9393       134.8854 196.0669 24.29339 183.6782 15.50495 12.38876       28.81965 
1 1 1 -13 -7  11 o 41.97515 18.91837 -37.62972      80.13516 -88.10809      125.6001 -2.974670      104.0688 49.58081 22.85243 52.79167 22.74099 -3.210861      32.23951 
1 1 1 -13 -7  12 o 45.48514 17.76440 31.76466       55.88271 140.5927       225.1924 24.62312       57.68715 89.28788 35.41791 44.49822 17.83454 44.78966       39.65475 
1 1 1 -13 -7  13 f 184.0114 12.33623 823.3369       107.8994 783.6814       183.7641 844.2020       133.2966 176.1756 22.31760 185.5503 15.15818 -9.374725      26.97861 
1 1 1 -13 -7  14 o 220.8300 13.33498 1188.329       140.1297 1530.913       292.6934 1086.455       159.6108 245.0509 25.34877 210.2322 16.00033 34.81870       29.97617 
1 1 1 -13 -7  15 o 303.5207 13.91415 2246.282       201.3708 2268.953       314.4110 2230.514       262.2074 300.6794 22.02465 300.2896 18.35165 0.3898010      28.66825 
1 1 1 -13 -7  16 o 176.8109 13.88589 765.3021       116.4379 830.1921       221.3378 740.4728       136.9142 178.8854 26.69639 172.9762 16.76593 5.909195       31.52449 
1 1 1 -13 -7  17 o 279.5155 13.88350 1908.326       184.9490 2082.336       300.3541 1802.048       234.7288 287.4789 22.02105 269.4766 18.32861 18.00226       28.65073 
1 1 1 -13 -7  18 o 261.1529 12.63741 1663.946       157.3150 1860.820       270.9008 1563.776       193.2355 271.4803 21.03599 251.5438 16.15350 19.93654       26.52260 
1 1 1 -13 -7  19 o 207.7998 13.64219 1060.762       134.7811 812.7723       330.6674 1110.172       147.5986 164.0225 41.99240 212.1760 14.64025 -48.15347      44.47132 
1 1 1 -13 -7  20 o 172.9603 16.62926 748.3856       135.8154 345.6628       340.3972 824.6349       148.1156 112.2959 43.84754 181.3040 17.29716 -69.00810      47.13596 
1 1 1 -13 -7  21 o 189.9223 18.20815 912.0341       163.3068 1258.603       327.8185 797.6384       188.3403 210.9135 33.63951 174.6570 23.12282 36.25650       40.82011 
1 1 1 -13 -7  22 o 74.66245 24.56155 146.3456       101.4754 54.54766       278.8758 160.3549       108.9436 82.04941 36.23950 77.68861 25.44351 4.360794       44.27949 
1 1 1 -13 -7  23 o 65.86869 24.54968 101.6243       103.5552 294.6161       299.3954 75.39845       110.3673 99.86691 40.41645 62.52857 24.79773 37.33834       47.41748 
1 1 1 -13 -7  24 o 143.5188 21.51891 553.4111       143.1052 601.2577       209.2217 511.3474       196.1707 140.9944 31.79867 129.5530 31.89014 11.44141       45.03483 
1 1 1 -13 -7  25 o 119.5109 20.94510 390.0561       115.3136 27.99995       410.1823 421.1259       120.1596 83.93491 39.53899 124.2503 20.97386 -40.31543      44.75751 
1 1 1 -13 -7  26 o 35.28088 17.00907 -109.5494      85.57782 -176.1583      235.7187 -99.43711      91.84442 58.81715 28.32399 37.72770 18.03881 21.08945       33.58046 
1 1 1 -13 -6  1  o 131.2147 8.801452 414.9818       54.89415 456.2904       89.72510 390.2702       69.39758 136.8219 13.90987 126.8387 11.57147 9.983253       18.09374 
1 1 1 -13 -6  2  o 192.7510 8.266048 892.8713       75.99628 800.2473       120.9877 953.2310       97.66822 181.5183 14.05091 198.8846 10.30690 -17.36624      17.42585 
1 1 1 -13 -6  3  o 297.1774 7.846642 2119.601       111.3853 1989.112       171.0686 2215.636       146.7567 286.9872 12.49804 303.4378 10.13046 -16.45059      16.08810 
1 1 1 -13 -6  4  o 227.9509 8.349655 1248.688       90.84136 1409.549       153.1543 1161.379       112.8321 241.2562 13.33011 219.4334 10.78835 21.82281       17.14877 
1 1 1 -13 -6  5  o 302.1474 12.92990 2208.070       186.3447 2092.429       268.6220 2315.341       258.7191 292.0044 19.35088 307.8823 17.65059 -15.87796      26.19160 
1 1 1 -13 -6  6  o 357.5282 8.264940 3068.782       141.2727 2832.549       223.1545 3226.783       182.5009 341.9554 13.67744 366.0038 10.44035 -24.04831      17.20678 
1 1 1 -13 -6  7  o 696.1681 8.704907 11643.15       289.7254 10678.34       428.5885 12455.08       393.1666 664.3882 13.49305 718.7338 11.44196 -54.34558      17.69127 
1 1 1 -13 -6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -6  9  o 247.8555 10.50164 1482.439       124.1592 1498.842       219.5116 1474.723       150.5564 246.7239 18.75004 246.6443 12.81183 0.7962036E-01  22.70918 
1 1 1 -13 -6  10 o 231.2530 11.49677 1293.759       126.7091 893.0245       238.8938 1450.625       149.4655 186.4992 27.62725 244.5554 12.82853 -58.05615      30.46040 
1 1 1 -13 -6  11 o 57.91792 17.99426 82.00696       55.05869 -102.9122      134.4978 119.2342       60.34684 50.53833 23.41846 68.54585 18.13640 -18.00751      29.62015 
1 1 1 -13 -6  12 o 121.1093 17.20288 365.4682       96.80767 794.1220       259.8722 296.3984       104.3159 172.8451 32.64425 107.7866 20.99831 65.05853       38.81464 
1 1 1 -13 -6  13 o 204.3615 11.79580 1013.438       114.7587 753.3727       217.6209 1113.615       135.0644 170.2809 27.68155 213.8397 13.27675 -43.55881      30.70082 
1 1 1 -13 -6  14 o 232.7541 11.85196 1314.781       131.4510 1148.325       244.8152 1382.211       155.8177 212.2560 24.57888 238.0516 13.74957 -25.79559      28.16331 
1 1 1 -13 -6  15 o 239.2094 13.02876 1393.746       148.4388 1652.020       308.8608 1316.174       169.2691 253.9421 25.79784 231.5920 15.37488 22.35007       30.03191 
1 1 1 -13 -6  16 o 162.6425 17.63287 658.1052       134.9180 541.4026       281.5472 692.8925       153.7169 137.7663 40.23988 166.1343 19.73863 -28.36807      44.82032 
1 1 1 -13 -6  17 o 408.1898 11.13928 4036.033       217.1808 4164.037       460.0147 3999.319       246.3663 405.2361 23.84951 405.5164 12.72337 -0.2802734     27.03116 
1 1 1 -13 -6  18 o 275.5907 13.75276 1859.183       180.6294 1992.929       287.0190 1771.476       232.4286 280.6679 21.55491 266.5717 18.34952 14.09619       28.30758 
1 1 1 -13 -6  19 o 128.8622 16.06245 415.7064       96.81430 362.8527       166.3033 442.8014       119.0714 114.6395 30.00079 131.7188 19.49626 -17.07932      35.77921 
1 1 1 -13 -6  20 o 125.0741 21.26380 406.4893       122.6033 483.3383       174.0424 330.7867       172.7394 132.9699 28.24998 108.5154 31.46865 24.45457       42.28874 
1 1 1 -13 -6  21 o 214.6737 13.79132 1137.468       140.7958 1239.781       226.7600 1073.277       179.6121 219.0594 21.94717 205.9822 18.43350 13.07724       28.66134 
1 1 1 -13 -6  22 o 54.14166 23.94414 -13.86564      122.1218 27.26125       173.6648 -54.09698      171.7636 67.29135 29.18209 60.08955 27.32730 7.201801       39.97969 
1 1 1 -13 -6  23 o 95.43040 25.12489 255.4788       116.1825 707.8577       420.3348 218.0584       120.8923 132.7061 49.46039 87.88544 26.54444 44.82069       56.13321 
1 1 1 -13 -6  24 o 107.6583 25.30112 328.7897       128.0085 134.0064       520.9929 341.3040       132.0566 96.31184 45.11301 109.4937 25.67481 -13.18190      51.90742 
1 1 1 -13 -6  25 o 154.6727 25.24281 680.3528       180.2315 745.8846       338.6580 654.4581       212.8828 135.4854 44.88290 145.2319 31.56320 -9.746536      54.86994 
1 1 1 -13 -6  26 o 47.87121 22.68641 -104.3465      138.8600 -23.97330      246.2690 -141.8109      168.1370 67.47978 31.41186 50.82162 24.32841 16.65816       39.73130 
1 1 1 -13 -5  1  o 254.6662 7.605571 1556.261       92.49634 1531.756       137.4217 1576.559       125.0684 252.0447 11.43410 255.9275 10.24237 -3.882828      15.35072 
1 1 1 -13 -5  2  o 314.6248 7.319301 2373.000       110.0958 2615.483       166.7203 2185.489       146.6093 329.6305 10.59295 301.3684 10.19015 28.26202       14.69863 
1 1 1 -13 -5  3  o 339.9421 7.415405 2770.867       120.5170 3067.441       184.3625 2549.572       159.2544 356.8980 10.81737 325.4753 10.24723 31.42270       14.90038 
1 1 1 -13 -5  4  f 338.2832 8.975178 2750.283       145.0267 2841.717       309.1356 2724.481       164.2198 340.6969 19.05489 336.4232 10.22198 4.273621       21.62355 
1 1 1 -13 -5  5  o 222.9287 8.402195 1194.807       89.39004 1399.237       157.0347 1096.811       108.7241 240.1728 13.73338 213.1920 10.70132 26.98082       17.41046 
1 1 1 -13 -5  6  o 338.9886 7.974283 2758.215       129.2365 3258.341       214.5627 2473.466       161.8996 367.2284 12.23818 320.3445 10.58563 46.88388       16.18112 
1 1 1 -13 -5  7  o 170.8948 10.02173 705.2160       81.52101 932.1541       168.4621 635.8238       93.15453 194.4783 18.33489 161.8504 12.12693 32.62785       21.98251 
1 1 1 -13 -5  8  o 250.8176 11.21305 1519.887       134.1191 1768.849       202.5531 1325.515       178.9740 269.2585 15.80429 232.8422 16.17816 36.41631       22.61655 
1 1 1 -13 -5  9  o 172.3021 11.98320 720.3127       98.09732 707.4537       166.4989 727.1499       121.4070 168.1631 21.17830 172.4419 14.87142 -4.278809      25.87816 
1 1 1 -13 -5  10 o 61.14123 22.58606 75.13278       87.29315 -149.0131      259.6454 103.6970       92.68855 71.65535 32.96524 67.50381 23.46703 4.151535       40.46491 
1 1 1 -13 -5  11 o 323.5261 10.04083 2524.164       155.1177 2725.027       325.0692 2464.941       176.5101 331.5919 20.60702 319.2418 11.58410 12.35013       23.63980 
1 1 1 -13 -5  12 o 205.3209 12.69220 1024.690       123.9795 953.0133       216.9457 1059.451       151.0807 193.9532 23.90122 208.0191 15.29840 -14.06590      28.37798 
1 1 1 -13 -5  13 o 200.4212 13.83616 980.6591       131.7632 892.0610       263.1631 1010.301       152.2171 183.6684 31.07695 202.7992 15.82481 -19.13089      34.87408 
1 1 1 -13 -5  14 o 279.3707 11.42608 1891.350       152.2892 1889.210       288.5832 1892.175       179.2856 274.1408 22.20857 278.6881 13.49621 -4.547272      25.98785 
1 1 1 -13 -5  15 f 157.7683 17.37971 619.0884       128.9211 617.4500       274.9104 619.5503       145.9670 147.7030 38.53292 156.8997 19.90663 -9.196671      43.37118 
1 1 1 -13 -5  16 o 260.1252 14.16422 1654.081       175.4857 1449.757       286.8411 1776.302       221.8467 237.5637 25.66212 268.1051 17.40173 -30.54138      31.00588 
1 1 1 -13 -5  17 o 74.42837 20.79044 142.5362       76.81292 242.2228       142.9625 102.0788       91.07584 95.65263 28.86060 66.46693 23.25187 29.18570       37.06189 
1 1 1 -13 -5  18 o 259.6651 14.07812 1653.492       174.1162 1586.517       282.1465 1694.686       221.2756 248.4531 24.05371 260.9167 17.84621 -12.46367      29.95110 
1 1 1 -13 -5  19 o 80.81437 28.38476 161.9637       135.8128 181.2585       270.0492 155.4312       157.1300 94.31323 38.30570 81.59974 30.27347 12.71349       48.82427 
1 1 1 -13 -5  20 o 157.5774 17.59408 626.4641       130.2876 565.3717       373.2343 634.9415       139.0336 132.0928 46.99417 158.0980 18.75963 -26.00519      50.60015 
1 1 1 -13 -5  21 o 148.0844 25.39947 587.4710       173.3510 638.3911       467.3781 579.3487       186.6654 134.7824 51.71540 145.5143 27.84588 -10.73184      58.73564 
1 1 1 -13 -5  22 o 69.22610 24.87209 116.4180       104.8138 160.3754       288.7363 109.7463       112.4871 90.61300 38.42212 68.86170 25.60174 21.75130       46.17043 
1 1 1 -13 -5  23 o 242.2282 15.79814 1483.187       181.9545 1805.034       352.8906 1366.636       212.3597 250.7268 30.03663 229.2048 19.56631 21.52191       35.84745 
1 1 1 -13 -5  24 o 81.73546 30.59581 183.6576       161.1943 244.0892       314.7574 162.1736       187.6726 93.88933 39.97508 80.49434 32.19967 13.39499       51.33055 
1 1 1 -13 -5  25 o 59.31905 23.90044 67.98567       104.1848 -855.3914      447.8189 120.8241       107.1242 63.32212 31.91461 68.14137 25.04666 -4.819241      40.56942 
1 1 1 -13 -5  26 o 44.76739 20.56364 -40.96410      100.4962 -323.9626      413.7052 -23.21747      103.5993 69.74874 34.41559 47.18967 21.36642 22.55907       40.50872 
1 1 1 -13 -4  1  o 100.8070 7.687512 245.0889       36.77027 260.1805       50.02092 227.3463       54.23655 103.5406 10.23882 96.42171 12.02618 7.118919       15.79438 
1 1 1 -13 -4  2  o 353.1142 8.868095 2995.568       149.5926 2958.601       327.5997 3005.306       168.1466 347.5009 19.80070 353.4580 9.960364 -5.957153      22.16475 
1 1 1 -13 -4  3  o 331.6099 7.428444 2637.097       117.7697 2799.013       180.9679 2518.148       155.1093 340.7844 11.12233 323.4637 10.04224 17.32074       14.98508 
1 1 1 -13 -4  4  o 82.34489 11.72280 166.6366       44.84854 208.7043       110.6456 158.3663       49.05940 90.30244 24.84981 79.92896 13.30594 10.37349       28.18796 
1 1 1 -13 -4  5  o 194.9612 10.28291 917.2404       95.50677 924.1589       141.9305 911.5151       129.1116 194.5754 15.38242 193.5647 14.04741 1.010712       20.83143 
1 1 1 -13 -4  6  o 309.3239 8.029894 2298.613       118.6491 2333.838       192.8934 2277.174       150.4844 310.4378 13.02568 307.3965 10.25398 3.041260       16.57747 
1 1 1 -13 -4  7  o 112.6084 10.79816 308.3073       57.42231 300.6895       101.9780 311.8440       69.48498 108.9823 20.31965 112.8112 13.12840 -3.828911      24.19180 
1 1 1 -13 -4  8  o 266.0904 8.748693 1703.603       111.1450 2070.292       197.9723 1534.832       134.3088 291.8524 14.23128 252.0269 11.17456 39.82550       18.09420 
1 1 1 -13 -4  9  o 249.6168 9.487975 1501.434       113.0224 1180.946       213.0094 1627.019       133.3403 217.9770 20.68760 259.5671 10.76831 -41.59012      23.32237 
1 1 1 -13 -4  10 o 518.3983 8.834300 6462.604       218.9496 6139.261       356.4492 6658.525       277.4639 502.3189 14.85893 525.3135 11.04790 -22.99463      18.51604 
1 1 1 -13 -4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -4  12 o 47.46096 20.54210 -6.326773      85.71394 -92.74799      142.3620 42.81589       107.3528 53.04555 24.40593 59.52294 24.16049 -6.477390      34.34208 
1 1 1 -13 -4  13 o 329.6549 10.53631 2626.384       165.8435 2411.855       312.8186 2710.255       195.5936 310.7738 21.18085 334.2405 12.26094 -23.46677      24.47364 
1 1 1 -13 -4  14 o 221.0837 12.49235 1189.423       131.5039 1080.590       201.4000 1270.308       173.6249 207.5691 20.56503 227.2032 16.08819 -19.63403      26.11035 
1 1 1 -13 -4  15 o 42.44867 18.09026 2.630524       64.56564 -252.4458      128.9353 88.00130       74.59183 39.70461 19.51742 61.47483 21.06601 -21.77022      28.71770 
1 1 1 -13 -4  16 o 161.2383 13.62025 637.3621       104.0123 454.8834       173.0525 740.5663       130.1429 130.5139 28.53175 173.1375 15.89987 -42.62358      32.66292 
1 1 1 -13 -4  17 o 45.30066 21.29107 -112.1571      117.7432 -230.7536      228.9097 -69.49175      137.2985 60.99914 28.97166 53.41958 24.34756 7.579563       37.84390 
1 1 1 -13 -4  18 o 217.2961 15.05244 1164.796       155.4084 964.0975       290.6566 1245.141       183.9035 186.4411 33.85500 223.5867 17.33968 -37.14557      38.03717 
1 1 1 -13 -4  19 f 179.6703 16.99773 808.1224       144.2717 823.1527       440.3861 806.3154       152.6983 155.2249 51.17220 178.9375 18.09797 -23.71251      54.27826 
1 1 1 -13 -4  20 o 78.29359 29.62166 139.4799       151.9810 384.2762       454.6894 108.6901       161.2559 117.4339 48.90243 75.27794 29.93538 42.15598       57.33737 
1 1 1 -13 -4  21 o 155.8989 16.46198 611.7954       120.8463 824.6078       295.3704 569.0107       132.4381 165.2671 38.15482 149.0635 19.01613 16.20361       42.63101 
1 1 1 -13 -4  22 o 144.9948 19.02320 543.5892       128.6919 704.3326       189.5432 406.1162       175.2872 160.8913 25.49013 118.1375 30.74364 42.75381       39.93643 
1 1 1 -13 -4  23 o 36.51602 17.53151 -112.7827      88.74212 -479.8707      286.3590 -73.78337      93.33713 56.95183 28.19806 40.95181 19.15374 16.00002       34.08807 
1 1 1 -13 -4  24 o 67.56343 24.64064 115.6740       103.3683 189.4462       297.5293 105.5472       110.2350 88.63655 38.31794 66.46224 25.20872 22.17431       45.86658 
1 1 1 -13 -4  25 f 99.47720 27.36022 298.2362       134.1701 554.8040       192.8748 57.67091       186.7631 133.3650 30.86201 68.29980 29.92885 65.06519       42.99070 
1 1 1 -13 -4  26 o 47.72017 22.45108 -82.78255      131.5104 -90.32824      183.0716 -74.73690      189.0395 55.76690 26.31424 57.52714 27.01865 -1.760242      37.71534 
1 1 1 -13 -3  1  o 538.8297 7.638896 6963.685       196.7843 6963.685       196.7843 0.000000       0.000000 538.8297 7.638896 ?        ?        0.000000       7.638896 
1 1 1 -13 -3  2  o 227.4057 7.281483 1241.343       79.06229 1473.116       126.0395 1090.978       101.5191 247.1772 10.69099 212.7679 10.00811 34.40933       14.64444 
1 1 1 -13 -3  3  o 281.5765 8.526961 1905.540       114.6564 2080.753       228.2341 1846.396       132.6034 292.1666 16.40551 276.8802 10.03398 15.28635       19.23074 
1 1 1 -13 -3  4  o 318.4612 8.723642 2438.081       132.6947 2504.454       279.3204 2418.736       150.7976 319.7197 18.35072 316.9220 9.964917 2.797699       20.88177 
1 1 1 -13 -3  5  o 238.5825 8.405787 1368.843       95.72961 1576.212       181.9106 1289.421       112.5790 254.4292 15.02172 231.2181 10.20938 23.21112       18.16269 
1 1 1 -13 -3  6  o 52.17728 15.31464 67.32262       40.69468 104.5130       119.7925 62.47085       43.26779 71.46704 26.44803 50.89266 15.97289 20.57438       30.89711 
1 1 1 -13 -3  7  o 184.6734 9.033516 821.9592       79.51511 730.1428       142.8876 863.1479       95.70261 172.0170 17.62348 188.9612 10.63652 -16.94418      20.58453 
1 1 1 -13 -3  8  o 165.6920 10.12268 663.6585       79.80457 727.8356       164.6539 643.9533       91.23742 170.7167 20.58907 162.8783 11.79653 7.838440       23.72905 
1 1 1 -13 -3  9  o 157.5497 10.76090 601.3259       80.56738 574.4791       180.4293 608.0121       90.04276 149.2701 26.24017 158.1748 11.99648 -8.904633      28.85242 
1 1 1 -13 -3  10 o 155.7061 11.57057 588.9106       85.51722 513.4027       198.8498 606.0449       94.72437 138.9962 30.74023 157.7214 12.66858 -18.72525      33.24838 
1 1 1 -13 -3  11 o 122.7695 17.16842 375.7184       98.01807 527.6309       197.5596 326.1129       112.8928 140.9839 30.21852 112.8848 21.70632 28.09914       37.20649 
1 1 1 -13 -3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -3  13 o 229.8639 13.06080 1287.309       142.9415 1377.766       353.4197 1269.619       156.2955 226.6145 33.64023 227.8042 14.42489 -1.189728      36.60249 
1 1 1 -13 -3  14 o 169.8300 15.00069 709.9421       120.5454 1099.742       231.6944 565.2653       141.1543 207.6207 23.76991 149.5704 20.26013 58.05032       31.23270 
1 1 1 -13 -3  15 o 241.8459 12.55909 1424.462       144.7153 1697.905       281.2678 1326.014       168.7674 258.7271 22.97764 232.2839 15.28200 26.44321       27.59550 
1 1 1 -13 -3  16 o 131.4065 20.74061 440.3203       125.9834 550.4837       237.0023 396.9315       148.7382 140.2754 35.35675 122.5168 26.18736 17.75854       43.99860 
1 1 1 -13 -3  17 o 74.39589 27.31976 123.5134       127.4019 -372.2166      318.5880 217.8795       139.0000 68.37418 32.92684 91.00871 28.63831 -22.63453      43.63863 
1 1 1 -13 -3  18 o 327.4834 14.69888 2640.059       229.5481 2366.852       337.3792 2875.545       313.2248 303.3551 23.44442 338.1786 19.45533 -34.82349      30.46556 
1 1 1 -13 -3  19 o 89.75727 24.33503 215.8535       107.0278 128.0987       152.9443 300.0646       149.8244 77.06105 29.57969 104.1768 29.01244 -27.11576      41.43283 
1 1 1 -13 -3  20 o 240.6106 14.28052 1431.904       163.5345 1545.428       285.9141 1376.706       199.3657 241.8827 25.08812 233.6403 17.98655 8.242416       30.86956 
1 1 1 -13 -3  21 o 90.33476 25.74953 223.4645       116.6058 328.4697       166.6876 122.8331       163.1793 107.0924 30.86950 76.60634 30.22429 30.48608       43.20224 
1 1 1 -13 -3  22 o 45.28481 19.87459 -8.076587      82.64640 48.54763       160.5011 -28.50787      96.41058 66.84216 28.50522 46.41837 20.85021 20.42379       35.31683 
1 1 1 -13 -3  23 o 118.8452 29.65479 420.2751       167.9401 851.8306       437.5617 345.7203       181.8690 139.8488 50.74184 105.5046 32.69172 34.34425       60.36126 
1 1 1 -13 -3  24 o 120.1177 28.89529 432.0716       163.9052 967.3417       338.8224 268.5433       187.2760 162.5632 42.95668 92.78921 33.25746 69.77402       54.32619 
1 1 1 -13 -3  25 o 70.41891 25.27847 136.7050       108.2402 270.7393       340.4563 121.6338       114.1636 91.40081 40.21845 68.19616 25.70156 23.20465       47.72938 
1 1 1 -13 -3  26 o 151.8196 19.83722 634.7578       140.5443 752.2851       367.2617 614.5936       152.1239 121.1611 45.99954 146.8678 22.37074 -25.70679      51.15083 
1 1 1 -13 -2  1  o 151.7538 8.071355 554.2877       58.34846 554.2877       58.34846 0.000000       0.000000 151.7538 8.071355 ?        ?        0.000000       8.071355 
1 1 1 -13 -2  2  o 167.5398 6.270836 673.6276       50.14003 680.6852       65.97576 663.9781       77.14440 168.1796 8.230452 165.8689 9.771456 2.310684       12.77582 
1 1 1 -13 -2  3  o 148.6834 8.370044 532.5820       59.25723 501.2162       107.0573 546.4362       71.15055 142.7487 15.95965 150.3725 9.952958 -7.623779      18.80882 
1 1 1 -13 -2  4  o 228.0866 8.233417 1251.040       89.63448 1331.991       169.9324 1219.836       105.5054 233.6907 15.29395 224.9337 9.834732 8.756912       18.18315 
1 1 1 -13 -2  5  o 311.8298 8.617972 2338.535       128.3555 2711.022       269.1674 2228.903       146.0280 332.9443 16.96589 304.0931 10.05817 28.85120       19.72329 
1 1 1 -13 -2  6  o 75.67736 11.56098 141.3150       40.50321 125.3934       79.35193 146.9246       47.10102 70.89742 21.52520 76.84373 13.30221 -5.946320      25.30381 
1 1 1 -13 -2  7  o 238.5840 7.977912 1368.727       90.87151 1479.235       146.8770 1300.194       115.6664 247.0103 12.47784 232.0363 10.45345 14.97403       16.27793 
1 1 1 -13 -2  8  o 189.0477 9.480553 862.3812       85.41322 779.5495       170.7693 890.0165       98.63769 176.6293 20.60951 191.7962 10.80072 -15.16693      23.26817 
1 1 1 -13 -2  9  o 285.1681 8.650593 1957.475       117.8020 2024.300       212.2821 1927.740       141.6067 287.8299 15.48355 282.5289 10.50193 5.300995       18.70911 
1 1 1 -13 -2  10 f 110.6175 12.29829 299.7248       63.94131 303.6745       120.4569 298.1753       75.44851 108.1907 23.92403 109.7563 14.75164 -1.565613      28.10641 
1 1 1 -13 -2  11 o 196.1727 10.68760 931.8706       99.85822 1064.752       220.6888 897.6599       111.9773 205.2738 22.87560 192.1392 12.25391 13.13457       25.95095 
1 1 1 -13 -2  12 o 290.5916 10.07006 2040.172       139.6904 2106.483       237.6095 2005.148       172.6844 292.4187 17.07037 287.2231 12.60621 5.195618       21.22060 
1 1 1 -13 -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -2  14 o 164.2336 15.31758 665.7261       118.8840 915.6251       212.7521 552.2691       143.3531 188.8556 24.11249 147.4251 20.92612 41.43051       31.92671 
1 1 1 -13 -2  15 o 251.8376 11.36326 1539.790       136.4620 1412.566       227.0506 1611.735       170.7410 237.2645 20.20833 256.6667 13.96688 -19.40227      24.56522 
1 1 1 -13 -2  16 o 131.3223 16.24750 430.0538       99.83415 643.6716       148.6686 254.6097       134.7317 159.5721 19.92006 97.63573 27.62793 61.93633       34.06041 
1 1 1 -13 -2  17 o 85.62475 21.35862 191.7905       87.13902 162.4315       335.3927 193.9157       90.23785 98.85326 41.63741 85.99884 21.89390 12.85442       47.04272 
1 1 1 -13 -2  18 o 69.44878 26.54319 99.49531       122.8009 130.2462       259.5808 90.62902       139.3845 88.43182 36.89706 70.44646 27.88993 17.98536       46.25193 
1 1 1 -13 -2  19 o 81.05992 28.91623 164.6709       141.4025 628.9375       453.1213 114.5811       148.8351 135.0407 51.13453 74.51724 29.02314 60.52342       58.79696 
1 1 1 -13 -2  20 o 44.39554 19.72904 -20.59525      83.90560 -39.06657      275.4432 -18.70591      88.09229 76.54730 34.73064 45.76435 20.28291 30.78295       40.21957 
1 1 1 -13 -2  21 o 91.39115 23.71405 227.5700       104.4949 -8.331074      494.1502 238.6126       106.9127 95.48878 44.46541 93.53677 23.84078 1.952011       50.45350 
1 1 1 -13 -2  22 o 64.49615 27.77801 37.37323       155.2234 -5.670833      303.8297 52.57616       180.5665 78.71983 36.00834 69.44801 29.93577 9.271828       46.82682 
1 1 1 -13 -2  23 o 52.40879 23.25203 -7.832164      116.0706 -330.2596      530.8909 8.353767       118.9483 81.59968 40.00842 54.69830 23.92890 26.90137       46.61830 
1 1 1 -13 -2  24 o 73.48186 26.83798 146.8016       122.6912 476.9996       332.0314 94.58569       132.0362 109.6322 43.15677 66.56487 26.87549 43.06738       50.84092 
1 1 1 -13 -2  25 o 72.25793 31.43538 102.6760       202.8442 515.8487       516.1711 27.21523       220.5913 100.9686 46.46135 68.06131 30.95900 32.90726       55.83114 
1 1 1 -13 -2  26 o 99.82355 32.61921 355.8604       179.1046 832.1401       284.4891 43.13651       230.5234 144.0365 39.92794 68.20094 31.25977 75.83555       50.70910 
1 1 1 -13 -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 -1  2  o 60.76320 12.55480 92.45732       35.26491 92.45732       35.26491 0.000000       0.000000 60.76320 12.55480 ?        ?        0.000000       12.55480 
1 1 1 -13 -1  3  o 183.0263 12.59561 813.6262       109.5431 813.6262       109.5431 0.000000       0.000000 183.0263 12.59561 ?        ?        0.000000       12.59561 
1 1 1 -13 -1  4  o 127.8576 8.574824 394.6337       52.11249 415.1376       102.5325 387.4923       60.51094 129.3796 16.98619 126.4512 10.09298 2.928360       19.75851 
1 1 1 -13 -1  5  o 127.5075 9.095846 393.0144       55.08405 442.3766       115.4231 378.4563       62.68275 133.1176 18.64706 124.8598 10.60078 8.257805       21.44970 
1 1 1 -13 -1  6  o 258.6774 8.101732 1609.199       100.0711 1574.475       168.9783 1627.955       124.1914 254.3737 13.94812 259.7712 10.01860 -5.397522      17.17330 
1 1 1 -13 -1  7  o 289.7884 8.804411 2021.609       121.8388 1998.195       248.1655 2029.045       139.8544 284.8086 18.32273 290.0001 10.10260 -5.191559      20.92331 
1 1 1 -13 -1  8  o 34.11551 14.08975 8.462849       37.31199 -49.73011      102.0347 17.44569       40.08848 46.91507 21.22697 37.30414 14.89560 9.610931       25.93190 
1 1 1 -13 -1  9  o 186.2321 9.742705 838.0472       86.44290 703.5805       182.6961 876.8337       98.12116 166.1978 23.66049 190.2669 10.83150 -24.06908      26.02192 
1 1 1 -13 -1  10 o 107.2391 11.74948 281.4836       59.25433 311.5361       178.7465 277.7733       62.80564 107.9917 32.19968 106.3366 12.59847 1.655045       34.57660 
1 1 1 -13 -1  11 o 136.1412 12.54461 453.2841       80.73228 443.7991       201.0073 455.1084       88.15510 127.5546 32.78431 136.1156 13.73427 -8.560989      35.54491 
1 1 1 -13 -1  12 o 170.4309 11.03839 705.6669       89.45818 769.4882       162.6348 677.9801       107.1191 175.0320 19.78137 166.3523 13.58708 8.679749       23.99815 
1 1 1 -13 -1  13 o 130.5626 15.14833 422.4279       92.80360 387.4747       220.5553 429.9478       102.3005 118.0540 35.89515 131.2542 16.67871 -13.20027      39.58081 
1 1 1 -13 -1  14 o 299.9969 11.57804 2185.566       165.7464 2124.589       395.6564 2198.544       182.5349 283.9222 29.58143 300.3943 12.73893 -16.47208      32.20778 
1 1 1 -13 -1  15 f 297.7290 11.49853 2152.947       163.3633 2082.203       337.9356 2174.520       186.6176 284.5263 25.10005 298.5164 13.10799 -13.99011      28.31664 
1 1 1 -13 -1  16 o 182.9500 14.25280 823.8586       123.6810 865.9252       263.3495 811.9545       140.0921 177.9344 32.13990 180.7859 16.38620 -2.851501      36.07605 
1 1 1 -13 -1  17 o 174.0643 15.51062 752.8722       127.7259 852.1703       375.5852 739.8868       135.8209 163.3646 46.09436 172.0202 16.72593 -8.655594      49.03515 
1 1 1 -13 -1  18 o 194.6165 15.33677 941.8929       141.5469 1074.586       238.6638 869.8932       175.8035 201.5962 25.31967 184.3548 20.28100 17.24135       32.44079 
1 1 1 -13 -1  19 o 52.74823 21.94815 27.31464       91.48495 -226.1888      207.3069 88.62354       101.9492 56.20480 26.93433 64.40475 24.28446 -8.199959      36.26559 
1 1 1 -13 -1  20 o 129.1515 28.44254 466.8379       170.8636 284.8467       369.5887 516.3077       192.6919 105.0184 43.93727 134.4794 30.65469 -29.46100      53.57418 
1 1 1 -13 -1  21 o 185.4951 15.82500 868.6420       139.0020 1185.274       257.7593 738.8024       165.0595 207.6157 26.57712 167.6174 21.06125 39.99826       33.91047 
1 1 1 -13 -1  22 o 93.60181 24.90698 248.5963       113.4059 226.5209       238.2950 255.0600       128.9441 90.01220 36.18842 93.70547 27.19262 -3.693268      45.26633 
1 1 1 -13 -1  23 o 73.13857 30.74203 106.1245       182.2294 254.4417       409.6435 69.53283       203.4706 95.17925 42.84645 71.81368 31.35895 23.36557       53.09616 
1 1 1 -13 -1  24 o 120.4158 29.90428 452.6205       171.3725 108.9964       267.6396 691.4078       223.1075 78.45232 35.02585 146.7250 32.64722 -68.27264      47.88164 
1 1 1 -13 -1  25 o 59.04669 27.65709 -58.44792      195.7914 -247.3175      444.9830 -13.10490      218.0307 72.32697 35.68871 64.31052 29.80595 8.016449       46.49816 
1 1 1 -13 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 0   3  o 155.6677 7.591399 583.1912       56.32708 583.1912       56.32708 0.000000       0.000000 155.6677 7.591399 ?        ?        0.000000       7.591399 
1 1 1 -13 0   4  o 151.4159 7.545979 551.8406       54.45337 593.6249       90.47697 528.1097       68.18510 156.2169 12.21136 147.7806 9.704514 8.436295       15.59792 
1 1 1 -13 0   5  o 129.5282 10.03725 406.6430       61.67192 0.000000       0.000000 406.6430       61.67192 ?        ?        129.5282 10.03725 0.000000       10.03725 
1 1 1 -13 0   6  o 42.49271 13.86596 42.33675       32.36926 -69.67919      104.9180 54.12054       34.02928 45.75835 21.01602 46.93576 14.06241 -1.177410      25.28684 
1 1 1 -13 0   7  f 79.51508 13.04137 157.1601       47.85992 273.4294       123.9311 136.7808       51.88501 102.2179 25.45669 73.61360 15.24475 28.60435       29.67230 
1 1 1 -13 0   8  o 68.32764 14.15856 117.6142       44.72993 257.0872       136.1613 100.7419       47.35824 98.84624 27.70564 63.01677 15.76101 35.82947       31.87494 
1 1 1 -13 0   9  o 174.1242 9.200196 732.4063       76.31688 820.9624       141.1494 695.8237       90.72086 182.4057 16.35929 169.2610 11.27523 13.14470       19.86849 
1 1 1 -13 0   10 o 205.3683 9.562628 1019.306       93.63216 1185.345       193.0173 968.2100       107.0742 218.2929 18.67393 199.7209 11.25941 18.57202       21.80573 
1 1 1 -13 0   11 o 176.9838 10.12067 759.0178       85.27792 837.7864       156.5258 725.7677       101.6963 183.3578 18.09122 172.4608 12.41719 10.89705       21.94263 
1 1 1 -13 0   12 o 65.33424 19.23077 108.1507       64.09082 160.1715       120.8042 87.77287       75.60883 80.14074 26.81339 61.46424 21.20369 18.67650       34.18412 
1 1 1 -13 0   13 o 108.9062 14.45049 294.6941       73.38406 521.8279       225.8019 267.8710       77.59628 136.5674 34.56038 103.2292 16.26015 33.33814       38.19440 
1 1 1 -13 0   14 f 46.27632 19.09982 19.10627       68.50498 0.000000       0.000000 19.10627       68.50498 ?        ?        46.27632 19.09982 0.000000       19.09982 
1 1 1 -13 0   15 o 306.7436 14.75495 2312.073       215.7477 2352.011       358.9402 2289.483       269.9554 301.8035 25.10359 302.7351 18.74373 -0.9316406     31.32919 
1 1 1 -13 0   16 o 128.4551 18.31252 418.8496       109.2819 664.8013       339.0899 390.3432       115.4414 145.5752 44.55593 123.1242 20.31964 22.45099       48.97059 
1 1 1 -13 0   17 o 139.1664 21.17010 502.2691       136.4191 655.7173       238.6356 427.7793       166.2657 151.1420 33.86610 124.4468 28.55271 26.69521       44.29639 
1 1 1 -13 0   18 o 69.43982 27.37818 92.94110       133.8128 -14.05006      234.7813 144.4176       162.8523 73.17542 32.72810 79.60036 30.53080 -6.424950      44.75778 
1 1 1 -13 0   19 o 235.1856 15.29715 1380.055       171.0672 1342.647       307.7895 1396.776       205.7777 219.5160 30.12122 234.3627 18.51577 -14.84673      35.35706 
1 1 1 -13 0   20 o 249.6221 15.09271 1558.619       179.2771 1827.665       323.9230 1439.816       215.2500 258.9570 26.53915 236.6960 19.18580 22.26100       32.74785 
1 1 1 -13 0   21 o 109.5620 32.71418 370.2728       184.4033 685.8278       471.9052 313.4054       200.3314 125.8702 50.81264 100.4315 34.51962 25.43870       61.42905 
1 1 1 -13 0   22 o 84.78239 31.31295 210.1883       167.7679 136.9355       290.7594 246.7479       205.4104 83.84556 37.01948 89.97415 34.34357 -6.128593      50.49676 
1 1 1 -13 0   23 o 64.96240 25.64318 96.10811       117.5149 462.9248       302.9169 31.12131       127.5004 108.6532 41.64805 58.03442 25.08614 50.61879       48.61969 
1 1 1 -13 0   24 o 49.17815 22.50800 -34.59752      118.9353 -61.20273      312.9632 -30.10653      128.5823 70.84655 33.71342 51.38439 23.47429 19.46216       41.08086 
1 1 1 -13 0   25 o 126.3263 26.59561 495.6297       155.5371 466.6494       560.5118 498.0474       161.8950 91.78644 44.06529 125.2821 27.76013 -33.49563      52.08046 
1 1 1 -13 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 1   5  o 134.4921 13.11623 442.8196       83.26581 442.8196       83.26581 0.000000       0.000000 134.4921 13.11623 ?        ?        0.000000       13.11623 
1 1 1 -13 1   6  o 209.6606 7.755059 1057.847       77.59991 1052.578       127.8380 1060.921       97.64819 207.9102 12.92495 209.5552 9.773619 -1.644958      16.20426 
1 1 1 -13 1   7  o 80.05996 11.69258 158.2741       43.43410 161.2828       98.36450 157.5454       48.40908 79.46709 23.93113 79.54265 13.19164 -0.7556152E-01 27.32615 
1 1 1 -13 1   8  o 193.5831 8.772916 904.2847       80.98220 960.4869       146.3243 879.4689       97.23072 197.5586 15.61917 190.4617 10.72123 7.096924       18.94474 
1 1 1 -13 1   9  o 166.6438 9.469585 671.9514       75.13416 878.0776       156.6309 610.3457       85.62898 187.9763 17.63465 158.3613 11.38602 29.61504       20.99101 
1 1 1 -13 1   10 o 358.5399 8.224564 3094.933       140.9804 3515.795       238.0704 2867.640       174.9558 379.8428 13.12945 344.1397 10.64652 35.70309       16.90358 
1 1 1 -13 1   11 o 354.6800 9.510690 3039.119       161.1257 3570.784       349.2564 2895.367       181.6067 378.3372 19.37338 345.5665 11.00642 32.77072       22.28159 
1 1 1 -13 1   12 o 148.1651 12.80250 538.1691       89.79900 687.4782       210.8571 505.0890       99.24939 160.6181 28.50286 142.9264 14.73567 17.69176       32.08665 
1 1 1 -13 1   13 o 127.8744 13.95081 403.9671       83.90700 249.8574       227.9983 428.1088       90.24010 99.62218 36.55325 131.4836 14.60147 -31.86141      39.36169 
1 1 1 -13 1   14 o 246.3320 13.95578 1489.075       163.6828 1507.998       286.6230 1479.917       199.3945 241.0335 25.24698 243.9436 17.20723 -2.910095      30.55321 
1 1 1 -13 1   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 1   16 o 195.2106 16.28265 952.7716       150.5800 836.8641       299.3648 992.0295       174.2244 167.3684 38.25039 197.8998 18.63360 -30.53137      42.54766 
1 1 1 -13 1   17 o 87.06931 29.05453 204.1681       141.8566 -11.71419      299.7516 266.4714       161.0306 80.98592 36.53693 97.44332 30.84552 -16.45740      47.81625 
1 1 1 -13 1   18 o 264.7290 15.00710 1745.318       189.1579 2095.342       347.1757 1597.541       225.5813 279.0108 26.33843 250.2429 18.99722 28.76794       32.47472 
1 1 1 -13 1   19 o 207.6333 17.25135 1094.164       169.7037 1133.810       349.5151 1081.934       194.1215 189.8589 39.78123 204.3609 20.12964 -14.50201      44.58418 
1 1 1 -13 1   20 o 181.8240 20.32545 869.7809       173.6658 777.5907       358.7950 897.9875       198.4629 143.7246 46.10440 182.2618 23.30861 -38.53716      51.66147 
1 1 1 -13 1   21 o 231.3343 16.18021 1370.673       177.8220 1459.011       380.6205 1346.008       201.1204 207.9889 39.72572 226.7165 18.72189 -18.72760      43.91631 
1 1 1 -13 1   22 o 81.82969 30.97691 195.2972       166.2608 457.8275       381.6806 133.8164       184.7057 105.5128 44.42871 75.50876 31.28220 30.00400       54.33679 
1 1 1 -13 1   23 o 64.66472 28.54185 45.17506       172.7090 -126.0341      402.2338 83.87433       191.2345 75.12469 36.37777 69.90957 30.46661 5.215118       47.45057 
1 1 1 -13 1   24 o 56.53315 26.42667 -52.12342      177.2701 -359.6574      421.4449 13.98293       195.3960 67.24550 33.45000 63.09366 28.86660 4.151840       44.18352 
1 1 1 -13 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 2   6  o 134.9801 12.39862 445.6645       79.11819 445.6645       79.11819 0.000000       0.000000 134.9801 12.39862 ?        ?        0.000000       12.39862 
1 1 1 -13 2   7  o 203.1836 7.604970 994.0768       73.74413 1015.839       115.7704 979.2176       95.66287 204.3349 11.90230 201.1308 9.979642 3.204086       15.53248 
1 1 1 -13 2   8  o 168.6935 8.616643 687.3924       69.26337 690.5856       116.4747 685.6454       86.15126 167.4503 14.69811 167.9873 10.78392 -0.5370331     18.22985 
1 1 1 -13 2   9  o 294.7455 7.969821 2092.738       112.2032 2089.625       178.4913 2094.771       144.2734 292.7709 12.78288 294.1444 10.27507 -1.373535      16.40058 
1 1 1 -13 2   10 o 57.04551 18.85319 78.04960       59.76473 219.0793       126.8978 37.85135       67.74891 90.98881 27.13078 49.50290 19.49211 41.48590       33.40691 
1 1 1 -13 2   11 o 133.4505 12.27631 436.5247       77.44721 425.2668       161.1506 439.9058       88.31470 125.9488 27.53262 133.4661 14.05111 -7.517303      30.91082 
1 1 1 -13 2   12 o 212.1687 10.48052 1092.645       105.9805 1248.911       201.3943 1032.799       124.6331 223.1040 19.06378 205.5136 12.74758 17.59038       22.93313 
1 1 1 -13 2   13 o 152.4266 11.66655 568.0272       84.37197 709.5846       147.2625 498.8537       102.9428 167.7492 18.67859 141.5820 15.45916 26.16718       24.24614 
1 1 1 -13 2   14 o 84.05745 20.58228 185.5037       82.04063 141.6068       131.9375 213.1762       104.7553 76.98067 27.87275 89.31348 24.01562 -12.33282      36.79185 
1 1 1 -13 2   15 o 54.68428 21.88708 45.69219       86.75971 0.000000       0.000000 45.69219       86.75971 ?        ?        54.68428 21.88708 0.000000       21.88708 
1 1 1 -13 2   16 o 148.0881 18.10588 559.2398       125.5253 519.3110       202.0761 584.3270       160.1763 134.3409 31.93445 148.5180 23.32651 -14.17705      39.54662 
1 1 1 -13 2   17 o 98.03927 27.74415 269.6710       135.8625 252.0836       325.8771 273.3712       149.4725 100.2393 41.54161 98.16151 29.48659 2.077805       50.94276 
1 1 1 -13 2   18 o 61.65607 25.45669 53.45206       121.7521 -16.63915      203.4450 92.56186       151.9700 67.57097 30.32489 70.86390 28.75256 -3.292931      41.78886 
1 1 1 -13 2   19 o 103.8794 22.57398 295.4983       108.9007 448.5174       365.4723 280.5883       114.0829 112.0393 44.89493 100.3475 24.08616 11.69178       50.94799 
1 1 1 -13 2   20 o 51.88709 24.40925 -105.7163      155.3879 -118.6101      384.1922 -103.1946      169.9049 77.83789 37.12789 54.61997 25.64108 23.21792       45.12145 
1 1 1 -13 2   21 o 82.06853 31.16634 197.3297       168.6213 191.6066       410.6523 198.4903       184.9309 90.29797 41.51102 82.65148 32.30545 7.646484       52.60044 
1 1 1 -13 2   22 o 77.96116 25.51143 179.1522       109.5363 474.8647       257.7916 114.0011       121.0026 110.6202 39.08502 67.22338 26.17285 43.39682       47.03889 
1 1 1 -13 2   23 o 74.47955 25.98049 168.3970       113.6581 -127.6171      271.5248 231.2832       125.1500 63.15590 30.40977 85.23236 27.21763 -22.07646      40.81120 
1 1 1 -13 2   24 o 47.04287 22.06444 -61.61477      125.3319 177.9312       280.8407 -121.1873      140.0518 77.04222 35.00015 45.76331 21.98495 31.27891       41.33218 
1 1 1 -13 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 3   7  o 245.8808 7.014564 1454.368       82.37389 1595.507       122.4847 1337.819       111.3048 256.7216 9.998669 235.0665 9.926434 21.65501       14.08927 
1 1 1 -13 3   8  o 73.68617 12.36416 135.4617       42.01576 145.3992       84.07199 132.1534       48.50784 75.07026 22.00628 72.26125 14.54499 2.809013       26.37864 
1 1 1 -13 3   9  o 253.1458 7.753876 1543.993       93.73151 1810.878       148.4696 1367.133       120.8621 272.9515 11.40253 237.3475 10.67852 35.60408       15.62205 
1 1 1 -13 3   10 o 109.4055 12.17622 294.5565       62.61055 236.4089       120.2631 316.1767       73.33228 94.14946 25.90685 112.9333 13.87318 -18.78383      29.38758 
1 1 1 -13 3   11 o 112.7515 13.78854 315.3402       72.78262 233.6981       138.1960 346.6778       85.61909 93.35653 28.41912 117.7301 15.59477 -24.37354      32.41671 
1 1 1 -13 3   12 o 60.88564 20.66624 88.90440       71.75818 50.85029       147.9314 100.6138       82.05894 66.91156 27.88095 64.62810 22.09673 2.283463       35.57545 
1 1 1 -13 3   13 o 105.1407 18.10187 283.9008       87.70958 188.1505       170.8127 318.1869       102.2138 86.46352 31.65285 110.6466 20.06101 -24.18307      37.47462 
1 1 1 -13 3   14 o 172.0280 13.67290 732.7515       111.5278 593.5253       204.1930 791.9441       133.1417 145.2882 30.37599 177.8634 15.82235 -32.57521      34.24978 
1 1 1 -13 3   15 o 146.3470 13.94793 533.3712       96.41036 592.8657       172.8680 506.5115       116.1521 148.0870 25.32639 140.9319 17.62305 7.155075       30.85446 
1 1 1 -13 3   16 o 162.6830 27.65260 732.1729       207.3834 732.1729       207.3834 0.000000       0.000000 162.6830 27.65260 ?        ?        0.000000       27.65260 
1 1 1 -13 3   17 o 256.1167 13.93206 1632.455       169.9508 1643.606       344.6382 1628.873       195.3554 239.8491 30.76239 254.1163 16.16372 -14.26726      34.75040 
1 1 1 -13 3   18 o 245.7325 14.89925 1521.800       174.2168 1674.188       358.5742 1474.712       199.3243 236.7247 32.54340 239.5523 17.52536 -2.827667      36.96229 
1 1 1 -13 3   19 o 82.90897 23.74739 195.1772       98.94360 55.08937       215.6663 232.5235       111.3541 71.91438 31.81109 89.77392 25.01578 -17.85954      40.46893 
1 1 1 -13 3   20 o 39.06730 18.51107 -86.72737      92.37540 135.9745       220.9761 -133.8860      101.6867 77.83641 33.32685 38.06115 18.39659 39.77526       38.06722 
1 1 1 -13 3   21 o 73.88041 30.96596 132.1451       184.0845 -235.5020      405.8198 227.3916       206.5580 72.00559 35.23650 84.70459 33.81548 -12.69900      48.83746 
1 1 1 -13 3   22 o 171.5135 21.92696 837.6234       175.6916 972.2394       268.5631 736.9107       232.2950 166.1574 34.91904 144.8677 34.10839 21.28967       48.81313 
1 1 1 -13 3   23 o 62.43081 27.84470 57.30656       168.6972 40.11754       254.4324 70.79106       225.3534 67.82204 31.68940 67.77849 31.00645 0.4355621E-01  44.33529 
1 1 1 -13 4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4   7  o 220.6001 10.44993 1180.843       109.8984 1180.843       109.8984 0.000000       0.000000 220.6001 10.44993 ?        ?        0.000000       10.44993 
1 1 1 -13 4   8  o 151.7035 8.100372 556.0845       58.53714 597.3020       92.42888 528.4805       75.64020 156.1226 12.48724 147.2583 10.81949 8.864304       16.52249 
1 1 1 -13 4   9  o 72.39674 14.70142 133.0773       49.14547 172.8276       85.34845 113.3594       60.11124 81.19498 21.60813 66.39452 18.33392 14.80046       28.33803 
1 1 1 -13 4   10 o 74.98279 17.72673 145.4251       62.53889 247.9054       106.2010 91.02264       77.37800 96.54428 23.28124 62.00098 21.44748 34.54330       31.65455 
1 1 1 -13 4   11 o 210.8857 9.453451 1079.486       95.06932 1009.016       154.3810 1122.534       120.6624 200.9364 16.20783 214.1466 11.83161 -13.21022      20.06690 
1 1 1 -13 4   12 o 240.7255 9.682239 1408.217       111.2037 1424.866       179.4685 1397.840       141.6796 238.9498 15.79854 238.5629 12.46538 0.3869171      20.12410 
1 1 1 -13 4   13 o 65.21643 20.12014 109.7315       68.97591 59.24876       94.24577 167.9629       101.2206 58.11723 22.95718 79.23459 24.36070 -21.11736      33.47351 
1 1 1 -13 4   14 o 108.8297 20.07998 311.3000       100.6285 540.2769       178.6230 204.8430       121.7947 139.2375 27.80721 86.28708 26.75567 52.95041       38.58894 
1 1 1 -13 4   15 o 97.77544 23.80013 261.9412       110.1914 359.9862       230.9699 233.0497       125.3801 108.0498 37.06795 91.20953 26.91092 16.84029       45.80644 
1 1 1 -13 4   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4   17 o 50.85710 21.45822 24.76480       89.32581 -74.98920      266.7477 37.36384       94.79910 69.80750 32.56096 53.76854 22.35490 16.03897       39.49630 
1 1 1 -13 4   18 o 86.68048 29.66762 227.5154       147.9314 12.04333       282.1372 309.2118       173.7265 74.63204 34.34513 98.26225 32.12679 -23.63020      47.02892 
1 1 1 -13 4   19 o 49.34995 22.73682 -49.78247      124.1541 -12.94530      175.5059 -86.68231      175.6551 60.78145 27.63470 55.69790 26.12302 5.083553       38.02747 
1 1 1 -13 4   20 o 45.45260 21.68761 -116.8457      131.3172 -51.08377      187.4962 -180.1609      183.9751 58.93756 27.42635 51.20723 24.74923 7.730331       36.94224 
1 1 1 -13 4   21 f 64.83962 25.46709 111.5441       115.3969 159.8818       344.2224 105.4238       122.4848 79.55499 37.06783 64.46449 25.93530 15.09049       45.24007 
1 1 1 -13 4   22 o 67.66859 25.37881 137.4462       111.0203 139.4724       220.9833 136.7622       128.4007 71.94519 31.99211 67.99498 26.81563 3.950211       41.74414 
1 1 1 -13 5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5   8  o 206.2552 7.446385 1026.445       73.30701 1136.378       107.1686 929.7745       100.4963 216.0958 10.40377 195.2803 10.80638 20.81555       15.00054 
1 1 1 -13 5   9  o 54.95264 15.15780 77.13792       41.11339 60.65168       57.59354 94.26879       58.70873 51.95501 18.46278 60.82500 18.52455 -8.869987      26.15402 
1 1 1 -13 5   10 o 88.62881 14.94700 199.3493       61.08341 437.2349       118.3871 113.0437       71.30827 130.0099 19.66002 66.21873 20.46237 63.79122       28.37648 
1 1 1 -13 5   11 o 118.1679 11.95932 345.2560       66.63472 288.9342       103.8072 384.7272       86.90187 104.2415 21.54214 123.6815 15.00298 -19.43997      26.25173 
1 1 1 -13 5   12 o 247.0984 8.975992 1482.869       105.8616 1499.520       158.6493 1469.505       142.1309 246.0411 13.53940 244.3600 12.20470 1.681183       18.22827 
1 1 1 -13 5   13 o 71.33667 21.57289 134.9913       79.81369 -131.5952      143.2273 255.0588       96.12128 48.80774 23.10370 97.60127 21.20692 -48.79353      31.36103 
1 1 1 -13 5   14 o 42.29948 19.34863 -45.02169      87.72263 -222.0210      188.0363 4.216858       99.17644 52.11378 25.14632 50.76566 22.03391 1.348114       33.43397 
1 1 1 -13 5   15 o 62.40141 24.82272 77.28564       110.9120 -203.9002      335.9528 111.6820       117.5000 71.54746 34.28705 68.42422 26.00904 3.123245       43.03571 
1 1 1 -13 5   16 o 149.2328 26.14447 638.6495       179.7370 0.000000       0.000000 638.6495       179.7370 ?        ?        149.2328 26.14447 0.000000       26.14447 
1 1 1 -13 5   17 o 214.5155 15.71690 1185.473       160.0697 1579.733       339.8058 1073.037       181.4644 223.6577 32.74912 200.6100 19.15262 23.04765       37.93847 
1 1 1 -13 5   18 f 61.17457 27.06863 27.59739       156.2713 483.5780       331.3917 -102.7938      177.2117 105.8965 42.64046 54.63394 25.81289 51.26258       49.84490 
1 1 1 -13 5   19 o 143.2607 26.57208 622.3594       175.2962 269.7025       348.6410 741.6779       202.7944 87.37377 39.41277 154.1774 28.56393 -66.80367      48.67509 
1 1 1 -13 5   20 o 94.41899 32.60725 330.2122       178.8222 588.7836       368.3374 250.4742       204.5447 102.1463 43.35791 82.91290 33.45964 19.23341       54.76728 
1 1 1 -13 5   21 o 51.78336 24.38392 -57.14997      155.7304 -269.5442      233.6924 112.5123       208.8651 51.96734 25.68342 68.80379 30.81383 -16.83645      40.11396 
1 1 1 -13 6   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 6   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 6   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 6   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 6   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 6   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 6   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 6   8  o 136.9644 8.000329 454.8735       52.15896 0.000000       0.000000 454.8735       52.15896 ?        ?        136.9644 8.000329 0.000000       8.000329 
1 1 1 -13 6   9  o 37.87744 13.87986 29.26786       32.85705 -2.367449      56.16156 45.73085       40.51421 38.42727 16.63004 44.69531 15.51621 -6.268044      22.74447 
1 1 1 -13 6   10 o 34.28677 14.84556 -2.901053      44.80017 -24.14610      73.66723 9.567492       56.43563 40.79667 18.28317 40.53808 17.07761 0.2585831      25.01837 
1 1 1 -13 6   11 o 36.20821 16.43968 -30.16939      61.84748 -43.94547      90.45679 -18.07594      84.75269 43.24783 19.73111 44.61146 19.82649 -1.363628      27.97153 
1 1 1 -13 6   12 o 128.1389 12.41611 408.8068       75.11118 338.9259       112.5700 464.8848       100.8416 112.0684 21.79519 135.0650 15.92230 -22.99662      26.99166 
1 1 1 -13 6   13 o 87.05359 21.21593 207.7051       87.48087 -239.0268      163.2082 387.7931       103.6241 46.24919 22.57059 121.4743 18.42008 -75.22514      29.13298 
1 1 1 -13 6   14 o 95.43233 21.09480 250.9926       93.68222 432.5450       159.3139 155.0329       115.8236 120.5037 28.16210 74.76933 26.21657 45.73438       38.47613 
1 1 1 -13 6   15 o 96.50610 22.34319 263.2889       101.0523 229.5444       110.3421 438.7554       251.6152 88.44347 24.99424 108.7332 38.59529 -20.28977      45.98161 
1 1 1 -13 6   16 f ?        ?        -681.1489      170.8975 0.000000       0.000000 -681.1489      170.8975 ?        ?        ?        ?        0.000000       ?        
1 1 1 -13 6   17 o 179.4482 18.96268 871.5669       160.2271 709.1909       235.4060 1011.721       218.7053 142.9337 34.78333 185.5266 25.31707 -42.59294      43.02132 
1 1 1 -13 6   18 o 124.0376 22.74753 449.7097       129.9255 630.3357       248.6826 381.8958       152.3754 124.8468 38.14614 107.4507 28.99553 17.39604       47.91523 
1 1 1 -13 6   19 o 44.91668 20.98062 -52.09823      111.3883 7.748092       194.6225 -81.25090      135.8355 60.82850 28.18114 47.27518 22.41392 13.55332       36.00779 
1 1 1 -13 7   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7   9  o 79.44180 13.03635 159.9073       47.79644 0.000000       0.000000 159.9073       47.79644 ?        ?        79.44180 13.03635 0.000000       13.03635 
1 1 1 -13 7   10 o 77.83911 10.92980 151.4949       39.55510 160.0248       65.50754 146.6003       49.62272 77.54545 18.01460 75.44814 14.27980 2.097305       22.98779 
1 1 1 -13 7   11 o 77.85229 15.65933 158.6347       56.26283 119.0843       80.95728 195.5815       78.24724 66.71143 21.93794 84.85796 19.67128 -18.14653      29.46578 
1 1 1 -13 7   12 o 150.8691 13.31277 574.9574       95.03925 524.7385       108.0450 746.6939       199.8031 142.3058 16.16708 160.0147 27.08282 -17.70889      31.54130 
1 1 1 -13 7   13 o 139.2618 17.15675 510.3610       111.8167 515.3126       121.4357 482.7682       286.6644 138.7257 18.79252 110.2124 40.88995 28.51336       45.00163 
1 1 1 -13 7   14 o 47.22149 21.63852 -39.01832      110.3666 -16.44075      117.4584 -209.2322      322.5097 50.77985 22.89385 66.53546 32.30193 -15.75561      39.59221 
1 1 1 -13 7   15 o 57.26948 26.50514 -38.97835      171.5057 -48.04026      193.1801 -5.256635      372.6555 59.53215 27.74859 76.17455 36.39814 -16.64240      45.76908 
1 1 1 -13 7   16 o 60.44757 28.44796 -48.53284      211.4442 0.000000       0.000000 -48.53284      211.4442 ?        ?        60.44757 28.44796 0.000000       28.44796 
1 1 1 -13 7   17 o 76.68183 29.44512 198.5048       151.5947 226.1782       199.4421 160.6414       233.2895 79.24703 32.63671 73.99902 32.89014 5.248016       46.33482 
1 1 1 -13 8   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8   8  o 113.9634 8.576968 318.2224       46.38832 0.000000       0.000000 318.2224       46.38832 ?        ?        113.9634 8.576968 0.000000       8.576968 
1 1 1 -13 8   9  o 27.95835 12.78357 -22.35560      38.24203 0.000000       0.000000 -22.35560      38.24203 ?        ?        27.95835 12.78357 0.000000       12.78357 
1 1 1 -13 8   10 o 55.37297 18.68847 78.92761       58.67672 0.000000       0.000000 78.92761       58.67672 ?        ?        55.37297 18.68847 0.000000       18.68847 
1 1 1 -13 8   11 o 160.2342 10.98672 639.9254       83.65569 0.000000       0.000000 639.9254       83.65569 ?        ?        160.2342 10.98672 0.000000       10.98672 
1 1 1 -13 8   12 o 72.11388 17.20558 141.4020       58.48860 199.8797       84.14668 86.74048       81.35471 83.90531 21.02235 58.81152 21.78995 25.09379       30.27773 
1 1 1 -13 8   13 o 169.6862 16.37827 761.5757       131.2195 698.0978       143.7976 1077.546       320.8215 159.6074 19.23188 165.1357 40.86133 -5.528290      45.16097 
1 1 1 -13 8   14 o 74.25685 24.74102 169.8533       102.8697 180.7660       110.8954 102.5424       275.4174 75.94365 25.69181 73.13017 33.75444 2.813484       42.41970 
1 1 1 -13 8   15 o 98.32896 27.00623 319.4670       130.8257 374.6895       143.2625 42.19764       321.0152 105.8241 27.91798 70.55290 33.73109 35.27115       43.78584 
1 1 1 -13 9   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9   8  o 166.5165 10.13446 687.4177       80.29807 0.000000       0.000000 687.4177       80.29807 ?        ?        166.5165 10.13446 0.000000       10.13446 
1 1 1 -13 9   9  o 59.16053 19.27199 94.69259       62.54308 0.000000       0.000000 94.69259       62.54308 ?        ?        59.16053 19.27199 0.000000       19.27199 
1 1 1 -13 9   10 o 89.13672 16.33297 213.7176       67.03917 0.000000       0.000000 213.7176       67.03917 ?        ?        89.13672 16.33297 0.000000       16.33297 
1 1 1 -13 9   11 o 118.4684 12.53617 360.3718       69.92693 0.000000       0.000000 360.3718       69.92693 ?        ?        118.4684 12.53617 0.000000       12.53617 
1 1 1 -13 9   12 o 84.09124 15.61594 191.5277       60.47022 0.000000       0.000000 191.5277       60.47022 ?        ?        84.09124 15.61594 0.000000       15.61594 
1 1 1 -13 9   13 o 87.08707 17.39767 212.0970       69.89963 -72.94714      117.6162 367.7490       86.91374 44.22239 20.93413 116.4243 16.04065 -72.20193      26.37310 
1 1 1 -13 10  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10  8  o 26.78360 12.57944 -36.28293      40.97832 0.000000       0.000000 -36.28293      40.97832 ?        ?        26.78360 12.57944 0.000000       12.57944 
1 1 1 -13 10  9  o 51.13901 16.01302 70.95345       43.51088 0.000000       0.000000 70.95345       43.51088 ?        ?        51.13901 16.01302 0.000000       16.01302 
1 1 1 -13 11  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 11  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 11  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -23 1  o 106.6969 21.64235 308.8182       106.6186 308.8182       106.6186 0.000000       0.000000 106.6969 21.64235 ?        ?        0.000000       21.64235 
1 1 1 -12 -23 2  o 137.8956 18.89368 499.1267       121.2873 499.1267       121.2873 0.000000       0.000000 137.8956 18.89368 ?        ?        0.000000       18.89368 
1 1 1 -12 -23 3  o 61.18460 22.24115 90.66311       84.11922 125.3308       147.5074 73.95533       102.4025 72.95715 28.75117 60.58615 23.93077 12.37099       37.40738 
1 1 1 -12 -23 4  o 138.5705 13.16369 482.7651       86.16203 511.3953       124.6590 456.5764       119.2255 138.9440 19.28541 130.9462 19.65025 7.997833       27.53287 
1 1 1 -12 -22 1  o 101.9941 23.51029 282.2111       112.2915 282.2111       112.2915 0.000000       0.000000 101.9941 23.51029 ?        ?        0.000000       23.51029 
1 1 1 -12 -22 2  o 129.0458 12.21209 412.1484       74.44653 434.3720       99.27092 383.5868       112.5396 130.8703 16.21263 121.0258 20.15872 9.844460       25.86934 
1 1 1 -12 -22 3  o 209.0670 10.09402 1066.886       100.5942 991.0552       147.0495 1133.587       137.9130 198.6512 15.60860 213.7653 13.56455 -15.11407      20.67911 
1 1 1 -12 -22 4  o 175.1342 11.80530 755.8019       98.26787 700.9249       156.0883 791.8341       126.4795 163.9325 20.35268 177.6607 15.03182 -13.72821      25.30192 
1 1 1 -12 -22 5  o 130.9838 13.21263 428.4161       81.61025 511.7422       116.8000 348.9302       114.0768 141.0121 17.71519 114.0494 21.71455 26.96272       28.02409 
1 1 1 -12 -22 6  o 40.36099 17.83732 -12.15409      67.65999 -79.90631      92.21532 66.85189       99.57982 40.15202 18.86210 59.47295 23.56467 -19.32093      30.18397 
1 1 1 -12 -22 7  o 124.7667 16.76969 401.8757       97.49984 401.5399       171.8750 402.0350       118.3925 115.4511 30.63589 122.3562 20.99472 -6.905037      37.13941 
1 1 1 -12 -22 8  o 99.30001 16.73466 257.2686       76.62490 239.4937       187.4628 260.8341       83.95891 89.68797 33.10434 99.18747 18.38197 -9.499496      37.86547 
1 1 1 -12 -21 1  o 174.1968 9.862190 736.9337       81.79831 780.7258       110.4763 683.7946       121.6965 178.2831 13.05180 165.8574 15.52794 12.42574       20.28463 
1 1 1 -12 -21 2  o 144.2352 11.04947 508.5314       75.61391 608.1239       115.3990 433.6030       100.0950 156.1557 15.66889 131.3963 16.28195 24.75931       22.59681 
1 1 1 -12 -21 3  f 98.99816 12.42018 243.0782       57.49418 323.0149       88.35344 184.3685       75.71902 112.8034 16.90290 84.00842 19.26415 28.79499       25.62841 
1 1 1 -12 -21 4  o 50.27106 19.29482 46.73764       65.07329 9.918264       87.91858 91.34607       96.77227 49.47704 21.09843 64.24715 23.77223 -14.77011      31.78463 
1 1 1 -12 -21 5  o 54.73943 21.64128 50.43412       83.81599 91.96986       164.3290 35.82904       97.44404 73.08408 29.80733 55.18940 22.77918 17.89468       37.51490 
1 1 1 -12 -21 6  o 58.97556 20.12291 84.47973       68.04680 123.8771       92.38406 37.75751       100.6062 69.75478 23.44950 55.99797 23.13258 13.75681       32.93926 
1 1 1 -12 -21 7  o 110.1023 15.35305 306.9858       78.62150 438.5971       111.1452 175.1737       111.2300 130.5563 18.30931 80.60928 25.65025 49.94701       31.51454 
1 1 1 -12 -21 8  o 69.76624 24.43748 122.2953       100.6207 94.73625       174.7491 135.9644       123.0699 73.88028 30.50034 73.97318 26.90028 -0.9290314E-01 40.66812 
1 1 1 -12 -21 9  o 85.73758 19.05794 195.1992       76.09432 124.8145       127.1760 234.4494       94.97030 72.09981 27.13675 92.96768 21.75511 -20.86787      34.78057 
1 1 1 -12 -21 10 o 88.61810 18.95993 209.2262       77.89968 230.2046       131.0346 197.7591       96.87837 89.42721 27.75575 84.45192 23.25747 4.975288       36.21176 
1 1 1 -12 -21 11 o 89.29539 21.47772 219.0335       90.56542 359.0802       233.9058 194.3360       98.22703 104.2804 37.19162 83.27928 23.59842 21.00112       44.04659 
1 1 1 -12 -20 1  o 54.62958 19.84306 63.30584       66.93971 99.39061       97.39667 31.00072       92.15477 66.59561 23.96976 54.07428 22.21831 12.52134       32.68337 
1 1 1 -12 -20 2  o 125.7935 10.67520 385.8523       63.59537 420.0036       90.56007 352.6243       89.32748 130.1458 14.81814 118.7001 16.16001 11.44573       21.92540 
1 1 1 -12 -20 3  f 298.9401 9.770169 2162.194       139.4475 2222.461       169.5495 2036.200       245.1504 302.2740 11.75482 285.9954 18.02100 16.27859       21.51586 
1 1 1 -12 -20 4  o 32.03305 14.44385 -22.43531      46.77095 -86.73991      101.3877 -5.051615      52.71511 42.91541 20.03621 37.11628 16.08707 5.799137       25.69521 
1 1 1 -12 -20 5  o 221.1507 10.69396 1188.287       112.7317 1511.226       191.6458 1017.425       139.3996 246.9105 16.32661 203.2283 14.44134 43.68221       21.79703 
1 1 1 -12 -20 6  o 125.0680 13.50959 387.0695       79.49829 313.3750       112.7859 459.8347       112.0726 109.2257 22.35216 134.8651 17.81711 -25.63932      28.58440 
1 1 1 -12 -20 7  o 198.5183 11.53114 963.3423       108.9702 860.3239       160.2610 1051.928       148.6117 184.4258 18.42222 205.8296 15.20953 -21.40379      23.88950 
1 1 1 -12 -20 8  o 276.9949 10.71095 1869.922       141.5757 1965.813       215.8983 1797.581       187.5233 280.6360 16.15987 269.3637 14.61632 11.27231       21.78940 
1 1 1 -12 -20 9  o 144.2831 15.23811 522.1212       103.5266 635.1016       143.6127 399.8931       149.3747 157.0414 19.55016 120.4410 26.64793 36.60043       33.05028 
1 1 1 -12 -20 10 o 210.7010 12.33328 1093.128       123.6944 1254.299       187.8799 969.8210       164.3355 222.3206 17.82558 195.3658 17.78931 26.95483       25.18355 
1 1 1 -12 -20 11 f 154.2779 15.26104 598.8961       111.0900 680.6949       232.6474 574.7366       126.4356 152.0056 32.96443 149.6592 18.03391 2.346436       37.57493 
1 1 1 -12 -20 12 o 293.9084 13.87848 2152.908       194.4616 2221.493       286.7892 2094.538       264.5727 291.4029 20.72063 284.2187 19.59066 7.184235       28.51558 
1 1 1 -12 -20 13 o 52.99360 21.34501 45.80354       83.06812 -158.3847      151.3183 133.8807       99.38201 48.24549 23.09101 71.04194 24.31675 -22.79645      33.53355 
1 1 1 -12 -19 1  o 221.9814 8.243430 1187.011       87.33289 1197.544       124.0043 1176.645       123.0163 222.1015 11.71971 220.1467 11.73040 1.954849       16.58173 
1 1 1 -12 -19 2  o 87.06269 11.79174 186.8605       47.82100 106.2002       60.14250 325.5222       78.85511 64.73312 18.50596 114.6000 14.73297 -49.86685      23.65441 
1 1 1 -12 -19 3  o 113.8083 10.72299 315.9262       57.65665 366.4384       87.31365 276.8701       76.77651 121.4561 15.38116 105.2286 15.74426 16.22752       22.01049 
1 1 1 -12 -19 4  o 108.6688 12.68453 290.7143       64.66232 484.6222       114.4913 199.8924       78.35559 139.1495 17.60334 88.18985 19.13520 50.95969       26.00064 
1 1 1 -12 -19 5  o 250.9224 11.92156 1531.478       142.6058 1628.743       212.4986 1451.781       192.3530 256.3085 17.44540 242.2857 16.70823 14.02283       24.15589 
1 1 1 -12 -19 6  o 120.6402 17.11189 365.6551       95.92970 556.1358       149.8022 233.2427       124.8984 147.2665 21.94595 93.69154 26.63065 53.57500       34.50820 
1 1 1 -12 -19 7  o 144.0491 13.67080 510.8646       93.02141 437.8021       120.9979 616.4524       145.4580 131.1022 19.93138 155.9771 19.96302 -24.87489      28.20961 
1 1 1 -12 -19 8  o 96.01510 23.34417 243.3391       106.1050 137.6756       168.7960 312.3654       136.4291 80.80351 31.05976 107.8344 26.62463 -27.03090      40.90941 
1 1 1 -12 -19 9  o 332.0257 10.92427 2679.049       173.1733 2571.833       315.6370 2725.221       207.1317 318.5329 20.84093 333.7440 13.00640 -15.21115      24.56645 
1 1 1 -12 -19 10 o 92.02686 22.20457 224.8401       96.56265 114.6331       125.2259 386.4855       151.6601 71.88671 26.95511 118.8714 27.26712 -46.98471      38.34154 
1 1 1 -12 -19 11 o 90.16624 27.68401 222.7146       130.7766 344.1374       219.4183 155.8166       162.8655 108.2815 36.13482 81.08311 30.66697 27.19836       47.39397 
1 1 1 -12 -19 12 o 318.7708 13.98397 2514.765       212.5981 2733.806       311.3338 2323.385       291.0121 326.6372 20.03301 300.7117 20.36203 25.92554       28.56456 
1 1 1 -12 -19 13 o 166.4842 14.27785 691.5096       112.5471 684.0518       182.9532 696.0502       142.7547 159.2068 24.84764 164.7962 18.43450 -5.589371      30.93923 
1 1 1 -12 -19 14 o 195.6671 14.94084 961.5748       138.7089 947.5851       252.0126 967.6548       166.1387 181.9206 30.02188 194.1367 18.10897 -12.21613      35.06064 
1 1 1 -12 -19 15 o 94.22788 22.84031 245.4925       101.8101 147.9532       137.2897 364.6725       151.7575 75.80500 28.26420 111.6978 28.36884 -35.89283      40.04568 
1 1 1 -12 -18 1  o 205.9128 8.950288 1022.076       87.90028 1032.367       110.7972 1004.600       144.3890 206.4482 11.26832 202.6180 15.01218 3.830200       18.77073 
1 1 1 -12 -18 2  o 73.45055 17.44943 137.3158       60.36266 96.06665       98.30347 162.2825       76.47893 66.66855 24.06999 79.57047 20.10074 -12.90192      31.35928 
1 1 1 -12 -18 3  o 281.8741 9.144602 1914.520       123.0703 2197.410       235.9765 1808.825       144.2406 299.3562 16.55260 273.4700 11.05517 25.88614       19.90491 
1 1 1 -12 -18 4  o 130.8047 11.50390 416.7377       71.20894 330.4853       118.1499 465.9420       89.23783 113.3176 22.60156 137.8520 13.72233 -24.53439      26.44112 
1 1 1 -12 -18 5  o 90.07915 12.22172 200.0219       51.27740 161.5769       80.93555 225.8013       66.27601 79.22878 21.02248 95.12289 15.07559 -15.89411      25.86925 
1 1 1 -12 -18 6  o 121.6430 12.63990 362.9157       72.43829 423.0742       114.7187 323.0235       93.41785 129.5079 19.10076 113.2508 17.84349 16.25711       26.13865 
1 1 1 -12 -18 7  o 38.69683 16.88455 -9.138323      58.88763 -112.0143      94.13318 57.00822       75.48130 38.92893 18.51488 55.06641 20.86592 -16.13747      27.89602 
1 1 1 -12 -18 8  o 213.0354 12.10795 1105.192       122.8115 1166.171       190.9551 1062.176       160.3815 216.1871 18.65777 207.2898 16.31474 8.897263       24.78474 
1 1 1 -12 -18 9  o 127.1914 16.69317 404.7951       99.06128 522.6644       131.7061 251.2561       150.3195 143.6418 19.69677 96.99407 29.66175 46.64776       35.60593 
1 1 1 -12 -18 10 f 324.9258 10.57053 2558.756       163.9875 2235.764       247.4414 2811.728       218.9841 300.2501 17.31115 339.1588 13.53237 -38.90866      21.97273 
1 1 1 -12 -18 11 o 139.1937 17.54372 487.3342       114.1602 584.2673       157.8960 381.1630       165.2488 150.2848 22.68143 117.9781 29.40348 32.30674       37.13504 
1 1 1 -12 -18 12 o 109.2479 28.59722 329.1303       151.0809 329.1303       151.0809 0.000000       0.000000 109.2479 28.59722 ?        ?        0.000000       28.59722 
1 1 1 -12 -18 13 o 58.78512 22.70203 65.94261       90.47719 1.406200       240.5960 76.57238       97.64453 75.15295 33.40223 61.78751 23.65546 13.36544       40.93031 
1 1 1 -12 -18 14 o 69.94530 18.56461 128.1860       63.10494 250.5297       124.2989 85.70242       73.24654 95.19015 26.39420 59.89058 20.85870 35.29957       33.64133 
1 1 1 -12 -18 15 o 171.0245 12.21305 721.4845       99.20256 875.2090       165.1618 634.7263       124.0776 184.6095 18.98339 158.2715 16.64660 26.33804       25.24834 
1 1 1 -12 -18 16 o 78.43285 24.82068 167.8378       104.2748 165.1160       222.9728 168.5996       117.9699 84.80470 34.67028 78.85054 26.49839 5.954163       43.63706 
1 1 1 -12 -18 17 o 100.4659 18.64966 267.1720       86.28027 438.0460       280.0051 249.2455       90.69327 112.2238 40.60886 96.10841 20.37149 16.11537       45.43212 
1 1 1 -12 -17 1  o 287.0838 9.988280 1987.895       136.8818 2088.520       169.6872 1800.428       231.6104 293.6569 12.11250 270.4656 18.01442 23.19128       21.70788 
1 1 1 -12 -17 2  o 29.17511 12.94374 -12.27184      35.96635 122.5368       84.70366 -41.92353      39.72538 70.53316 22.37660 26.29474 12.36108 44.23842       25.56382 
1 1 1 -12 -17 3  o 253.7299 9.430371 1551.997       114.1964 1704.905       202.0590 1480.235       138.4235 263.8771 16.09304 247.2109 11.74567 16.66623       19.92352 
1 1 1 -12 -17 4  o 133.9293 11.02681 435.7943       69.97987 424.7729       113.7043 442.5146       88.78754 130.2472 18.80375 134.3052 14.03465 -4.058029      23.46385 
1 1 1 -12 -17 5  o 63.09464 14.54296 100.5441       42.96896 5.387851       68.27555 162.9514       55.29221 44.17834 18.70603 80.63332 14.89148 -36.45498      23.90966 
1 1 1 -12 -17 6  o 216.4796 9.775065 1131.233       100.9074 1399.306       172.8533 992.6465       124.2831 239.2447 15.19062 202.0043 12.93695 37.24037       19.95294 
1 1 1 -12 -17 7  o 298.7769 8.773128 2149.623       125.1812 2740.518       210.1403 1824.597       155.8523 335.9098 13.11031 274.3835 11.90919 61.52637       17.71183 
1 1 1 -12 -17 8  o 238.9574 9.851471 1379.251       112.3046 1689.492       202.1668 1240.788       135.0605 262.2810 16.20167 225.8852 12.55580 36.39581       20.49737 
1 1 1 -12 -17 9  o 81.41054 20.25319 171.0967       78.50573 401.6661       185.2227 120.6057       86.67629 121.5142 31.59324 69.93832 22.68053 51.57589       38.89138 
1 1 1 -12 -17 10 o 66.98698 16.54173 114.5481       52.65673 187.1960       115.4733 95.47543       59.16648 84.99878 25.99816 61.70319 18.55538 23.29559       31.94067 
1 1 1 -12 -17 11 o 103.5122 22.34005 279.3167       107.3101 301.2854       145.6544 253.2358       158.7026 105.8060 28.25999 97.49425 30.58982 8.311707       41.64570 
1 1 1 -12 -17 12 o 97.33672 25.28340 251.7560       118.6995 583.4365       229.9481 131.2698       138.5921 144.6292 33.85699 76.80742 28.44346 67.82181       44.21907 
1 1 1 -12 -17 13 o 55.92290 21.85032 53.14869       84.57560 -27.48827      141.4284 98.03936       105.5231 57.78919 25.65135 67.24043 24.83387 -9.451237      35.70312 
1 1 1 -12 -17 14 o 94.41637 17.34854 228.2179       75.42533 392.2816       199.7560 200.9375       81.45513 116.9682 33.81645 87.69166 19.88822 29.27652       39.23128 
1 1 1 -12 -17 15 o 198.3011 13.24251 970.1547       124.8268 1002.578       228.3920 956.3439       149.0595 194.0905 25.20816 195.4464 16.09482 -1.355850      29.90811 
1 1 1 -12 -17 16 o 121.2551 14.10727 367.9297       80.25548 539.3778       147.4180 295.7122       95.67654 142.9022 22.30597 106.3741 19.53271 36.52809       29.64934 
1 1 1 -12 -17 17 o 65.48729 24.08161 99.83395       99.04591 144.3089       181.9660 81.10972       118.0686 80.20033 31.82978 64.93948 25.68179 15.26086       40.89853 
1 1 1 -12 -17 18 o 64.33185 21.24002 107.0752       75.86121 -276.4407      331.5455 128.2633       77.92859 69.20219 33.39163 69.32456 21.38579 -0.1223755     39.65290 
1 1 1 -12 -17 19 o 149.8968 16.28097 577.2288       114.8040 443.3537       353.9137 592.9724       121.3669 109.2555 44.04003 151.4449 17.05884 -42.18936      47.22847 
1 1 1 -12 -16 1  o 164.1059 9.315968 649.7571       72.79023 569.3146       108.5949 715.3854       98.08711 152.3920 15.10373 171.7110 12.02428 -19.31897      19.30559 
1 1 1 -12 -16 2  o 325.9088 9.560063 2558.010       148.7975 2613.476       175.9006 2418.463       279.0062 328.9739 11.20034 313.6159 18.69315 15.35803       21.79177 
1 1 1 -12 -16 3  o 24.18552 11.50524 -46.08303      36.38770 -44.77102      44.60323 -48.69385      62.91945 28.14027 13.18710 34.93045 16.12655 -6.790186      20.83183 
1 1 1 -12 -16 4  o 346.2726 9.540265 2888.266       157.7876 2997.043       323.8794 2854.414       180.6794 348.5667 19.51310 343.8024 11.00655 4.764282       22.40324 
1 1 1 -12 -16 5  o 173.6089 10.50375 729.2368       86.77377 890.7285       138.9077 625.8865       111.1237 190.7094 15.36507 159.8337 14.70696 30.87570       21.26923 
1 1 1 -12 -16 6  o 330.5783 9.657117 2633.798       152.4630 3124.929       310.2116 2477.381       175.0660 356.4540 18.26402 320.0689 11.45912 36.38513       21.56122 
1 1 1 -12 -16 7  o 237.4636 9.417542 1359.554       106.7040 1642.360       185.4975 1219.699       130.4465 259.3839 15.02273 224.2356 12.21413 35.14835       19.36149 
1 1 1 -12 -16 8  o 111.7462 12.21539 305.5146       64.19837 261.9687       113.9428 325.7675       77.70636 100.4818 24.04118 114.9246 14.46232 -14.44271      28.05597 
1 1 1 -12 -16 9  o 63.16200 16.18875 101.0926       49.10647 171.5134       107.2299 82.40441       55.23940 82.14341 25.03901 57.99165 18.02483 24.15176       30.85201 
1 1 1 -12 -16 10 o 34.80424 14.69977 3.320618       41.98740 -251.9794      102.5827 54.69797       46.01871 33.08396 16.46456 48.86576 16.55015 -15.78180      23.34500 
1 1 1 -12 -16 11 o 184.8937 10.81559 829.3073       95.18753 1152.804       155.8913 636.9962       120.1957 216.6801 15.14388 160.5430 15.86719 56.13707       21.93410 
1 1 1 -12 -16 12 o 101.6004 13.70381 255.8080       64.86917 261.3929       126.6893 253.8235       75.52012 99.26878 26.28405 100.4977 16.27409 -1.228889      30.91435 
1 1 1 -12 -16 13 o 96.60369 16.89680 236.1888       75.19768 491.7488       215.4096 200.7229       80.24607 132.8090 33.83532 88.18360 19.54747 44.62536       39.07598 
1 1 1 -12 -16 14 o 156.4880 13.21576 601.1856       97.95045 722.3223       151.3937 513.9694       128.4601 169.3909 19.02264 142.4456 19.36392 26.94536       27.14447 
1 1 1 -12 -16 15 o 176.3358 12.78299 762.4366       107.0342 711.6324       168.1577 797.0386       138.7769 166.5212 21.63303 178.8904 16.40901 -12.36917      27.15223 
1 1 1 -12 -16 16 o 137.8737 14.99875 474.4363       97.27391 691.9279       264.2319 440.3396       104.6214 153.2085 36.58069 132.0003 16.97035 21.20813       40.32543 
1 1 1 -12 -16 17 o 187.6519 13.11957 869.8933       116.9598 1134.328       221.6747 767.8812       137.6838 208.1577 22.63913 174.5021 16.70721 33.65558       28.13647 
1 1 1 -12 -16 18 o 76.92098 24.90208 157.4129       104.5141 247.4192       197.5157 122.4118       123.1705 94.10718 34.09919 71.98205 26.78452 22.12513       43.36087 
1 1 1 -12 -16 19 o 117.7578 17.89034 359.4002       97.55584 109.9533       352.7987 380.0529       101.5141 89.87518 40.16372 121.0473 18.09591 -31.17207      44.05209 
1 1 1 -12 -16 20 o 93.66634 20.85454 238.4977       90.98824 1040.122       386.2596 191.4026       93.62286 165.4994 46.76141 83.01397 22.86410 82.48547       52.05186 
1 1 1 -12 -15 1  o 225.1518 9.090789 1220.278       97.65431 1329.825       126.4855 1058.619       153.6530 234.6194 11.30966 208.2542 15.54473 26.36520       19.22361 
1 1 1 -12 -15 2  o 231.5179 8.249123 1288.701       91.16036 1403.792       135.0338 1192.325       123.5683 240.9481 11.75774 222.0309 11.68197 18.91716       16.57446 
1 1 1 -12 -15 3  o 98.09734 10.44351 234.2832       48.22716 224.7795       71.32220 242.2892       65.46112 94.85005 16.31646 99.03518 14.23408 -4.185127      21.65262 
1 1 1 -12 -15 4  o 107.0847 11.24220 279.4418       56.69831 305.7570       79.83613 252.6635       80.53547 111.1865 15.43458 100.4188 17.40549 10.76772       23.26322 
1 1 1 -12 -15 5  o 330.0540 12.86863 2638.679       202.6714 2933.034       291.0280 2361.503       282.4077 346.0358 17.64991 309.7263 19.16562 36.30948       26.05456 
1 1 1 -12 -15 6  o 64.14644 19.51014 101.8952       65.15112 49.83548       133.7426 118.0929       74.60123 65.84637 26.87731 68.85194 20.86400 -3.005569      34.02494 
1 1 1 -12 -15 7  o 162.8215 10.41193 641.5184       80.62502 570.0429       129.8953 686.3122       102.8309 151.4831 18.30667 167.8991 12.90957 -16.41602      22.40070 
1 1 1 -12 -15 8  o 175.5164 11.38345 746.9149       95.00599 944.2158       172.1469 660.5003       113.9273 195.2754 18.66617 164.2243 14.66462 31.05101       23.73767 
1 1 1 -12 -15 9  o 62.13071 16.19198 97.65805       48.57625 53.19880       102.7900 110.4422       55.11954 60.22915 23.91670 65.98970 17.27287 -5.760551      29.50187 
1 1 1 -12 -15 10 o 134.6953 11.23892 441.0176       71.71546 606.0134       126.2498 362.4145       87.13930 156.5227 17.15171 121.0712 15.40265 35.45147       23.05261 
1 1 1 -12 -15 11 o 271.2043 11.34250 1780.024       146.7418 2122.321       218.7150 1499.801       197.8924 294.6176 15.58327 247.0465 16.85588 47.57108       22.95559 
1 1 1 -12 -15 12 o 76.19725 15.91958 146.9779       56.12114 109.7595       114.6448 158.7074       64.35976 71.15583 25.95002 78.92596 17.51410 -7.770126      31.30731 
1 1 1 -12 -15 13 o 70.11099 16.18721 125.2191       53.16100 175.1987       100.7044 105.9107       62.59303 82.27452 24.07576 64.73824 18.99113 17.53629       30.66439 
1 1 1 -12 -15 14 o 54.58764 19.41165 65.40934       63.67560 27.41088       166.9591 71.87714       68.88194 68.32351 29.10295 56.93665 20.19542 11.38686       35.42367 
1 1 1 -12 -15 15 o 81.27763 17.80822 169.5165       67.28229 74.30006       126.7980 206.8330       79.37919 66.94430 26.56973 89.60820 19.11236 -22.66390      32.72969 
1 1 1 -12 -15 16 o 43.03292 20.11123 -88.85499      102.5676 -63.81710      288.6296 -92.47379      109.7297 78.70536 35.64700 44.64034 20.84242 34.06502       41.29304 
1 1 1 -12 -15 17 o 318.9551 14.53643 2507.954       221.0815 2592.646       350.4763 2451.983       284.9198 316.9334 23.29307 311.8802 19.20159 5.053223       30.18722 
1 1 1 -12 -15 18 o 118.1547 15.77645 352.4314       86.89359 693.2321       205.1559 277.9284       95.92247 158.9643 28.01790 102.9809 20.20498 55.98346       34.54336 
1 1 1 -12 -15 19 o 62.44154 25.09234 66.24257       114.5101 -7.806617      212.2070 96.66235       136.0121 69.83516 31.18285 69.71751 27.56651 0.1176529      41.62070 
1 1 1 -12 -15 20 o 149.8777 17.54902 575.7966       123.3689 689.2292       386.7330 562.9456       130.1698 135.5124 47.87273 147.4028 18.90600 -11.89041      51.47072 
1 1 1 -12 -15 21 o 84.28684 30.13063 200.8169       153.6100 -302.1782      409.1470 283.3500       165.7340 74.99992 36.40467 96.85461 31.35865 -21.85470      48.04857 
1 1 1 -12 -15 22 o 106.4568 23.02355 316.6712       113.7649 404.5367       411.0857 309.3838       118.3887 104.3075 45.06640 104.4326 24.18787 -0.1251297     51.14718 
1 1 1 -12 -14 1  o 234.8383 9.060620 1326.878       101.5359 1393.957       175.6877 1293.237       124.4185 239.2644 15.44117 231.4258 11.27911 7.838547       19.12193 
1 1 1 -12 -14 2  o 59.85419 14.38226 90.16511       40.64173 121.0138       80.54642 79.62858       47.07349 70.14279 21.75970 56.64782 16.42747 13.49497       27.26438 
1 1 1 -12 -14 3  o 169.6817 9.612426 694.4152       77.65984 776.6333       111.7891 617.7247       107.9659 178.8100 13.16912 159.1100 14.34717 19.70004       19.47478 
1 1 1 -12 -14 4  o 225.4348 8.407689 1222.033       90.45743 1346.174       136.1107 1123.829       121.0601 235.8966 12.10927 215.5509 11.79235 20.34563       16.90248 
1 1 1 -12 -14 5  o 186.9175 10.38803 843.6773       92.46554 917.4487       138.6899 784.6472       124.0616 193.8948 15.07981 179.3472 14.59491 14.54759       20.98600 
1 1 1 -12 -14 6  o 163.6534 10.09967 647.0327       78.63564 633.0381       126.9997 655.7338       100.1410 160.3807 16.81273 164.2234 12.85707 -3.842758      21.16535 
1 1 1 -12 -14 7  o 215.5107 9.498280 1119.397       97.62343 1291.805       169.9720 1034.526       119.2551 230.0233 15.54734 206.6239 12.12555 23.39943       19.71671 
1 1 1 -12 -14 8  o 202.1285 11.17180 988.4998       107.5392 1158.289       177.1614 889.4377       135.3218 217.1426 17.20592 190.7781 14.95596 26.36458       22.79746 
1 1 1 -12 -14 9  o 54.79260 16.07465 74.52482       44.84304 132.4063       95.52900 58.16563       50.78625 73.57732 23.80662 50.76143 17.38277 22.81590       29.47738 
1 1 1 -12 -14 10 o 244.5531 11.13771 1446.571       129.8781 1728.605       199.1942 1238.002       171.2971 265.8768 15.74112 224.7563 16.04710 41.12056       22.47871 
1 1 1 -12 -14 11 o 86.33997 17.36320 188.6447       69.18539 23.71066       112.8261 288.0360       87.58477 58.13912 24.29662 107.1153 17.72202 -48.97623      30.07317 
1 1 1 -12 -14 12 o 195.2642 11.40372 924.1273       105.9945 823.2133       185.9202 972.7205       129.0145 180.8930 21.94628 199.7828 13.58828 -18.88977      25.81241 
1 1 1 -12 -14 13 o 297.0186 10.22232 2130.279       144.9417 1897.890       257.9128 2237.551       175.2301 276.5898 19.63180 303.8097 12.08834 -27.21997      23.05505 
1 1 1 -12 -14 14 o 235.1817 9.909943 1336.933       111.1754 1272.998       194.1131 1368.143       135.6226 226.5902 18.06821 237.3115 11.99264 -10.72136      21.68603 
1 1 1 -12 -14 15 o 81.71593 17.00272 170.1469       64.26014 164.2090       108.9801 173.3120       79.56348 80.22899 25.37267 81.81818 20.40910 -1.589188      32.56231 
1 1 1 -12 -14 16 o 123.0580 13.26837 373.1947       76.82893 715.8706       129.8978 188.8220       95.28145 169.8484 16.19248 84.90643 22.93577 84.94196       28.07571 
1 1 1 -12 -14 17 o 129.0482 21.61000 429.6012       128.6163 157.0438       318.6027 482.6660       140.5801 97.19440 40.73792 136.6499 22.28555 -39.45553      46.43516 
1 1 1 -12 -14 18 o 145.5868 18.80458 538.0394       127.8321 632.2288       221.1151 490.7548       156.6669 150.7222 31.69251 136.0175 25.01354 14.70474       40.37440 
1 1 1 -12 -14 19 f 117.2530 18.35188 353.0063       99.50426 283.5270       230.0364 368.9986       110.3634 100.8244 36.76032 119.1611 20.08582 -18.33672      41.88987 
1 1 1 -12 -14 20 o 209.7363 15.21441 1100.265       151.5215 1189.017       272.6483 1060.605       182.2582 207.6001 28.19887 203.4577 18.95529 4.142395       33.97763 
1 1 1 -12 -14 21 o 66.64311 24.22179 106.6535       99.76334 237.2571       540.5808 102.0486       101.5069 105.7389 48.23906 66.00557 24.36043 39.73335       54.04107 
1 1 1 -12 -14 22 f 69.56623 29.19040 79.51819       163.8610 320.5923       679.0632 64.61307       168.8506 106.8107 50.48429 68.62523 29.25056 38.18549       58.34602 
1 1 1 -12 -14 23 o 46.65660 21.12193 -30.63025      101.1972 -44.68736      427.1597 -29.79438      104.1625 83.03429 39.47716 47.42396 21.45317 35.61033       44.92978 
1 1 1 -12 -13 1  o 118.8692 9.713915 341.8320       54.72320 281.9725       78.77234 397.6675       76.07852 106.7140 15.92669 127.7898 12.61698 -21.07576      20.31865 
1 1 1 -12 -13 2  o 98.81056 10.01689 237.1337       46.66692 278.2935       68.60633 201.6901       63.66439 106.4433 13.80645 90.02979 15.34064 16.41350       20.63863 
1 1 1 -12 -13 3  o 225.1476 9.424524 1220.305       101.2217 1626.365       174.7829 1015.390       124.1624 258.9074 14.17444 204.7186 12.74928 54.18884       19.06460 
1 1 1 -12 -13 4  o 239.0114 10.93006 1378.333       124.5657 1494.800       178.4002 1267.532       174.0068 247.8991 15.12460 227.9440 16.07024 19.95514       22.06821 
1 1 1 -12 -13 5  o 264.5208 11.68588 1689.992       147.4200 1746.145       213.1578 1638.508       204.1035 267.4558 16.75436 259.1116 16.56285 8.344269       23.55922 
1 1 1 -12 -13 6  o 116.3377 13.04696 330.9918       71.31800 554.9153       136.4472 246.8233       83.65453 149.3733 19.57735 99.07198 18.33679 50.30134       26.82369 
1 1 1 -12 -13 7  o 394.3197 7.871743 3732.102       148.3979 4270.378       235.3342 3376.773       191.2045 420.5974 11.71476 374.2832 10.69634 46.31421       15.86339 
1 1 1 -12 -13 8  o 199.2108 10.45044 958.2554       99.18230 1190.246       153.4010 791.6131       130.0126 221.0848 14.59477 179.9442 15.25626 41.14061       21.11305 
1 1 1 -12 -13 9  o 134.3051 11.87185 438.7976       75.44470 302.8240       121.1159 525.0106       96.44072 108.3785 24.00774 146.5563 13.93144 -38.17775      27.75710 
1 1 1 -12 -13 10 o 381.3250 8.415851 3494.359       153.4270 3908.988       245.5536 3228.822       196.5077 401.7279 12.80150 365.6223 11.25527 36.10565       17.04581 
1 1 1 -12 -13 11 o 142.8044 12.27657 496.7280       83.00338 518.9811       127.9659 480.5655       109.0574 144.1829 19.02806 139.3468 16.70245 4.836136       25.31874 
1 1 1 -12 -13 12 o 54.47245 18.76369 67.02682       59.20106 13.54712       143.9508 77.91332       64.94772 63.36594 27.00832 58.03201 19.66145 5.333931       33.40691 
1 1 1 -12 -13 13 f 375.7502 9.820659 3403.853       176.2689 3784.915       381.3034 3300.287       198.7844 390.7988 20.47988 369.4911 11.26621 21.30771       23.37420 
1 1 1 -12 -13 14 o 361.4541 9.090027 3146.964       156.9575 3100.959       240.9064 3180.897       206.8976 356.8823 14.14739 362.3983 11.95793 -5.515991      18.52406 
1 1 1 -12 -13 15 o 124.4480 14.59111 382.3833       85.16628 291.1917       116.9846 485.2173       124.2281 105.7209 23.72890 138.9253 19.21795 -33.20437      30.53507 
1 1 1 -12 -13 16 o 145.8600 13.80185 523.0697       95.10101 685.9985       137.0294 371.6690       132.0927 165.9097 17.54091 119.3009 23.99176 46.60880       29.72017 
1 1 1 -12 -13 17 f 138.2876 14.61986 472.9633       95.19564 607.0634       203.6479 435.4677       107.6851 150.1932 29.41389 131.6675 17.54293 18.52574       34.24808 
1 1 1 -12 -13 18 o 42.63100 18.04007 6.730976       63.43756 -48.19479      124.0698 26.17323       73.81617 52.08995 23.50286 48.81914 19.95222 3.270805       30.82978 
1 1 1 -12 -13 19 o 160.7760 18.29914 652.6062       138.1563 603.4043       246.0595 675.2586       166.9576 144.4653 35.80747 161.6373 22.19017 -17.17201      42.12575 
1 1 1 -12 -13 20 o 46.63517 20.50141 -12.15578      88.27646 294.0522       516.4950 -21.36981      89.59477 112.6082 49.54398 45.86795 20.38494 66.74030       53.57380 
1 1 1 -12 -13 21 o 47.39653 22.55664 -145.0516      140.1709 -349.2745      651.9529 -135.1537      143.5275 93.88556 45.65946 48.75581 23.09353 45.12975       51.16734 
1 1 1 -12 -13 22 o 79.85136 22.99133 173.5441       92.51288 876.8828       407.6055 135.3446       94.99194 151.5862 49.18589 71.74918 23.77087 79.83698       54.62880 
1 1 1 -12 -13 23 o 131.5722 25.67959 488.4186       155.7327 379.5672       431.7716 504.6971       166.9718 105.3965 45.85753 132.5342 27.26199 -27.13772      53.34913 
1 1 1 -12 -13 24 o 111.5659 21.16208 340.9456       108.7464 570.3265       290.7888 303.6498       117.2543 122.5547 41.60199 103.1640 24.19482 19.39071       48.12603 
1 1 1 -12 -12 1  o 338.1058 7.600858 2740.904       122.8637 2797.964       176.3297 2687.059       171.2909 340.9093 10.83253 334.0985 10.73781 6.810822       15.25268 
1 1 1 -12 -12 2  o 119.2729 10.80614 344.9613       60.95194 372.5876       91.59727 323.0068       81.65504 123.0195 15.94903 114.5478 15.29202 8.471725       22.09564 
1 1 1 -12 -12 3  o 434.3196 7.715880 4524.268       160.2151 4321.529       230.6311 4713.357       222.7319 423.4920 11.40144 442.6680 10.52437 -19.17599      15.51629 
1 1 1 -12 -12 4  f 311.8270 9.651987 2339.179       143.7195 2447.923       174.8964 2113.061       252.2005 318.5797 11.50186 294.0252 18.02793 24.55444       21.38455 
1 1 1 -12 -12 5  f 169.7749 10.79049 696.5468       87.13039 724.5913       139.9749 678.8066       111.3285 171.7561 17.28091 166.9546 14.07868 4.801529       22.28989 
1 1 1 -12 -12 6  o 168.6572 10.42274 687.0400       83.63122 752.3774       146.6017 655.5193       101.8252 174.8797 17.78142 164.2376 13.07592 10.64215       22.07167 
1 1 1 -12 -12 7  o 193.6798 10.08296 904.7912       93.04279 1184.327       142.4130 696.6163       122.8981 220.9205 13.54875 168.7940 15.39868 52.12646       20.51068 
1 1 1 -12 -12 8  o 47.27375 15.42798 52.36246       40.07232 166.8654       82.62625 17.14756       45.82188 80.90788 21.13359 39.28812 15.84309 41.61975       26.41273 
1 1 1 -12 -12 9  o 192.4865 10.02277 894.0495       91.91737 1007.023       154.6618 832.3558       114.2917 202.8848 16.07635 185.1094 12.99711 17.77541       20.67303 
1 1 1 -12 -12 10 o 131.7267 12.89737 423.4554       80.18410 661.7294       166.3535 351.3417       91.51708 162.3433 21.99886 119.0390 16.52579 43.30433       27.51456 
1 1 1 -12 -12 11 o 124.0869 11.62634 374.9043       68.16949 494.2328       106.0095 290.7691       89.01462 141.6228 15.93291 107.6782 17.92080 33.94461       23.97942 
1 1 1 -12 -12 12 o 54.29964 17.51239 70.48856       51.71917 7.372237       87.75417 104.0800       64.01937 49.96483 21.18390 64.58286 19.27361 -14.61803      28.63965 
1 1 1 -12 -12 13 o 170.7412 11.23455 706.9814       91.19738 792.3396       137.1614 639.3461       122.0946 179.4833 16.15729 161.1095 16.06531 18.37375       22.78491 
1 1 1 -12 -12 14 o 407.5689 15.45105 4054.792       300.5247 4284.633       429.0533 3833.422       421.0714 414.8441 21.70860 391.6982 22.58086 23.14600       31.32345 
1 1 1 -12 -12 15 o 37.66952 16.31101 -5.660855      54.08666 -186.2507      99.03543 71.09617       64.56586 35.48269 17.37280 56.29045 19.58502 -20.80776      26.17990 
1 1 1 -12 -12 16 o 157.7863 13.35794 609.1401       99.82076 940.7100       193.7083 489.2571       116.4768 193.2994 21.31431 139.9855 17.80638 53.31387       27.77350 
1 1 1 -12 -12 17 o 42.18966 19.10363 -40.77077      82.83250 -245.0445      115.0998 178.6784       119.2986 36.57949 18.06848 83.45518 26.56527 -46.87569      32.12761 
1 1 1 -12 -12 18 o 135.9790 13.49294 455.3402       86.56187 796.2809       150.1937 285.7668       105.9232 178.4959 17.83880 104.7817 21.85297 73.71416       28.20949 
1 1 1 -12 -12 19 o 93.37484 19.92047 225.9785       86.21524 115.5432       230.8022 243.8872       92.94324 85.05392 35.07675 96.83611 20.70309 -11.78220      40.73078 
1 1 1 -12 -12 20 o 68.64700 27.08424 85.84122       131.0356 65.63399       633.2206 86.74525       133.9347 111.2708 51.29526 69.18977 27.35602 42.08100       58.13394 
1 1 1 -12 -12 21 o 72.17852 22.79298 135.7291       87.97575 321.3591       387.2750 125.6285       90.33753 109.0791 45.25284 70.14350 23.17898 38.93564       50.84373 
1 1 1 -12 -12 22 o 147.5154 22.15929 576.9361       151.4536 562.9279       414.7882 579.0910       162.6864 124.5386 48.46661 146.5675 24.05039 -22.02890      54.10577 
1 1 1 -12 -12 23 o 64.75398 23.12425 102.6542       90.45338 403.2208       269.5855 64.52412       96.01960 110.9389 39.88511 58.70187 23.17718 52.23700       46.13029 
1 1 1 -12 -12 24 o 77.86964 30.05268 157.6897       158.4787 74.56655       280.3011 196.7458       192.1360 79.77991 35.71543 84.41451 32.94781 -4.634590      48.59166 
1 1 1 -12 -11 1  o 282.4840 12.02284 1923.895       162.0000 1864.477       229.7841 1982.614       228.4271 276.7741 17.45435 285.6241 16.80223 -8.850006      24.22745 
1 1 1 -12 -11 2  o 315.3450 12.85476 2400.281       193.3957 2341.974       274.3820 2457.845       272.6321 309.8517 18.60797 317.6433 18.02666 -7.791534      25.90786 
1 1 1 -12 -11 3  o 212.9454 10.04316 1091.964       101.9581 958.8475       132.0728 1288.311       160.4019 198.8061 13.98475 230.4375 14.63517 -31.63141      20.24257 
1 1 1 -12 -11 4  o 196.0497 10.53631 926.8913       98.39308 937.2981       144.8227 917.9694       134.0935 196.1452 15.57138 194.3349 14.53809 1.810257       21.30314 
1 1 1 -12 -11 5  o 327.2263 8.131243 2569.190       127.2077 2822.233       196.9000 2387.911       166.6565 341.9915 12.06154 314.7756 11.09155 27.21588       16.38606 
1 1 1 -12 -11 6  o 455.0332 8.102958 4968.717       176.2767 4868.723       264.9070 5048.179       236.1499 449.1213 12.34906 457.9757 10.78542 -8.854401      16.39587 
1 1 1 -12 -11 7  o 195.6131 11.21631 924.6421       104.4557 949.7538       165.6360 908.0609       134.5938 196.6818 17.80774 193.1037 14.68916 3.578064       23.08435 
1 1 1 -12 -11 8  o 408.0828 8.208907 3997.614       160.1555 4279.804       247.7733 3795.102       209.8979 420.9595 12.32462 396.7791 11.07583 24.18042       16.57016 
1 1 1 -12 -11 9  o 300.1169 12.94194 2180.203       185.2577 2118.275       267.1512 2237.569       257.1243 293.6609 19.13258 302.3611 17.86690 -8.700165      26.17789 
1 1 1 -12 -11 10 o 93.02335 13.33751 213.4270       57.62172 150.2745       88.19787 260.4559       76.11056 77.14973 22.51869 102.3218 16.08901 -25.17207      27.67576 
1 1 1 -12 -11 11 o 321.3514 8.944786 2484.251       137.2890 2399.916       206.6772 2550.852       183.6656 314.4797 13.77994 324.8638 11.84529 -10.38406      18.17134 
1 1 1 -12 -11 12 o 241.2327 10.43222 1404.903       120.0310 1290.776       193.6529 1476.103       152.9564 229.0355 17.82558 246.6132 13.01919 -17.57774      22.07376 
1 1 1 -12 -11 13 o 145.5916 14.16960 519.3502       97.38214 509.2229       159.4982 525.3690       122.9611 140.8616 24.57742 145.3533 18.08434 -4.491638      30.51382 
1 1 1 -12 -11 14 o 67.99417 20.96183 114.9658       74.88391 83.33589       99.60474 156.0851       113.5673 64.56854 24.07454 79.51044 25.97403 -14.94190      35.41517 
1 1 1 -12 -11 15 o 370.9120 9.189303 3312.100       162.9528 3746.078       254.8499 3011.964       211.9384 392.5915 13.59852 352.3965 12.59996 40.19492       18.53857 
1 1 1 -12 -11 16 o 82.77832 17.39622 174.0573       66.65542 218.1933       115.2562 151.8774       81.70485 91.52824 25.43007 76.99355 21.41837 14.53470       33.24808 
1 1 1 -12 -11 17 f 340.8426 14.02514 2833.843       228.0555 3018.332       332.6496 2670.234       313.2613 348.1793 20.06873 327.3983 20.11049 20.78101       28.41101 
1 1 1 -12 -11 18 o 219.9705 13.25491 1182.858       138.7490 1288.047       237.1061 1128.081       171.1038 225.1622 22.31959 213.3211 16.91552 11.84116       28.00533 
1 1 1 -12 -11 19 o 67.12106 24.16750 101.6743       99.02056 115.3583       140.9400 88.33581       139.1496 74.62916 28.45728 70.64677 27.89870 3.982391       39.85165 
1 1 1 -12 -11 20 o 72.98549 21.72003 137.5418       81.39220 -108.8639      189.6185 193.1959       90.11641 60.60420 27.98522 85.73163 21.90766 -25.12743      35.54037 
1 1 1 -12 -11 21 o 104.9467 26.05942 299.2373       130.1498 306.6938       198.8656 293.6506       172.1340 104.2720 34.38778 102.4433 31.81487 1.828773       46.84768 
1 1 1 -12 -11 22 o 93.94377 22.90194 238.2384       101.9143 86.21632       208.2096 286.1375       116.8723 77.44616 32.72322 102.5210 24.23050 -25.07484      40.71764 
1 1 1 -12 -11 23 o 61.42260 27.59931 -25.86227      169.0895 151.9473       349.3642 -80.25536      193.2292 92.83114 40.79821 61.34960 28.30121 31.48154       49.65332 
1 1 1 -12 -11 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -10 1  o 213.2131 8.320900 1091.582       84.65606 1172.852       124.2576 1021.183       115.6489 220.5283 11.82885 205.7363 11.80729 14.79204       16.71328 
1 1 1 -12 -10 2  o 84.31305 12.21336 174.5413       47.79892 184.8706       64.34788 161.8253       71.39593 86.06873 16.23308 80.06402 18.94873 6.004707       24.95130 
1 1 1 -12 -10 3  o 79.46722 16.10752 158.1695       59.09841 262.2566       103.0427 107.1480       72.14318 101.7464 21.83664 66.37276 20.59390 35.37361       30.01579 
1 1 1 -12 -10 4  f 268.6888 8.581501 1733.823       110.0940 1646.418       173.9941 1792.183       142.1743 260.8046 14.00577 272.7874 10.92365 -11.98276      17.76197 
1 1 1 -12 -10 5  o 289.4231 9.324926 2013.601       128.8605 1855.837       244.4654 2074.301       151.6369 275.5165 18.66955 293.4748 10.82607 -17.95825      21.58138 
1 1 1 -12 -10 6  o 118.0226 12.01342 339.0305       66.84214 484.1374       105.3341 241.2065       86.48640 140.4532 15.96985 97.84791 19.17389 42.60532       24.95344 
1 1 1 -12 -10 7  o 320.3691 12.70932 2480.547       194.2758 2746.082       280.5245 2235.813       269.3134 335.4758 17.55151 302.1813 18.73367 33.29449       25.67111 
1 1 1 -12 -10 8  o 209.6552 10.23101 1059.916       102.2396 1126.500       168.4048 1021.049       128.6647 214.6924 16.53429 205.1753 13.18657 9.517105       21.14872 
1 1 1 -12 -10 9  o 253.3466 11.02338 1548.895       133.1979 1627.700       183.5294 1461.190       193.6158 258.7297 14.90018 244.5711 16.65817 14.15860       22.34972 
1 1 1 -12 -10 10 o 165.0571 12.16613 660.9647       95.33056 931.2550       150.1177 478.2993       123.4084 195.0711 16.24375 138.6045 19.13322 56.46660       25.09859 
1 1 1 -12 -10 11 o 368.0222 10.34130 3263.836       181.7719 3534.115       368.8771 3177.159       208.8950 378.6157 20.45457 362.5718 12.06789 16.04388       23.74917 
1 1 1 -12 -10 12 o 68.14567 18.97380 117.2400       64.08780 203.7913       144.4038 96.01080       71.51689 90.32503 29.27336 63.31888 20.60697 27.00615       35.79911 
1 1 1 -12 -10 13 o 123.5084 12.56923 372.6766       73.18575 395.7310       113.5600 356.2989       95.71374 125.4966 19.56494 119.6067 17.23503 5.889900       26.07361 
1 1 1 -12 -10 14 o 351.7527 14.19176 3010.539       238.1713 3075.583       342.0748 2949.340       331.8099 352.2795 20.39796 345.0691 20.20127 7.210449       28.70833 
1 1 1 -12 -10 15 o 111.5444 15.02661 308.2036       78.09763 350.2593       148.8322 292.2236       91.74303 115.3010 27.40490 107.6251 18.49644 7.675911       33.06277 
1 1 1 -12 -10 16 o 255.9112 12.80834 1591.431       156.2097 2282.767       277.0975 1269.377       189.1261 303.6978 19.18259 226.8137 17.57820 76.88409       26.01855 
1 1 1 -12 -10 17 o 77.69386 24.43450 151.8645       101.2014 94.10157       164.0086 187.3804       128.6038 75.82871 30.17823 85.97843 27.60450 -10.14972      40.89907 
1 1 1 -12 -10 18 o 169.7955 13.95070 707.0782       112.2501 631.3984       203.8050 740.0323       134.4867 154.3283 28.67773 172.8905 16.46918 -18.56218      33.07032 
1 1 1 -12 -10 19 o 74.24636 34.38272 -150.5136      289.2404 -150.5136      289.2404 0.000000       0.000000 74.24636 34.38272 ?        ?        0.000000       34.38272 
1 1 1 -12 -10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -10 22 o 103.8981 33.05250 308.2646       184.7013 0.000000       0.000000 308.2646       184.7013 ?        ?        103.8981 33.05250 0.000000       33.05250 
1 1 1 -12 -10 23 o 84.99475 24.17163 197.5301       102.8701 233.5563       216.0453 186.9675       116.9825 92.78448 35.26798 82.74994 26.30212 10.03454       43.99582 
1 1 1 -12 -10 24 o 111.7695 28.70134 361.6902       154.1530 444.5396       245.5347 307.7871       198.0499 116.9158 38.19160 100.7497 34.33099 16.16618       51.35383 
1 1 1 -12 -10 25 o 51.67159 22.50548 6.472452       104.2226 522.1465       237.2196 -116.8779      116.0201 125.1310 37.04103 43.12511 20.52320 82.00594       42.34666 
1 1 1 -12 -10 26 o 41.54538 19.72278 -99.39703      105.8394 -50.03392      248.0912 -110.3800      117.0228 67.61745 31.49338 43.37575 20.63374 24.24170       37.65082 
1 1 1 -12 -9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -9  2  o 296.2747 9.442331 2108.276       133.5757 2158.391       161.3531 1999.128       238.1223 299.4766 11.28975 286.8497 17.44599 12.62683       20.78030 
1 1 1 -12 -9  3  o 186.4781 9.350663 836.5242       83.09801 778.2725       137.5059 870.0374       104.2976 178.6857 16.27460 189.8781 11.54378 -11.19240      19.95298 
1 1 1 -12 -9  4  f 210.4060 9.359663 1064.644       93.91576 1201.203       161.4977 994.8646       115.4430 222.4566 15.27769 202.9899 11.94840 19.46669       19.39515 
1 1 1 -12 -9  5  o 178.0588 10.30290 764.3657       87.33180 815.7497       158.4838 741.9591       104.6548 182.3262 18.43436 175.0525 12.58903 7.273682       22.32285 
1 1 1 -12 -9  6  o 370.9529 8.290402 3301.301       147.0289 3424.529       231.0132 3217.398       190.6208 376.6488 12.84778 365.5648 10.91904 11.08401       16.86093 
1 1 1 -12 -9  7  o 388.9968 11.03718 3644.786       205.0563 3665.095       242.6346 3594.026       383.5910 389.4950 13.04836 382.4810 21.05860 7.014069       24.77346 
1 1 1 -12 -9  8  o 271.5199 11.81129 1780.213       152.9562 1759.604       210.5009 1803.267       222.6341 268.6713 16.46704 271.7506 17.22477 -3.079285      23.82974 
1 1 1 -12 -9  9  f 301.3551 9.800569 2186.096       141.0133 2149.530       223.1193 2210.416       181.9617 297.1869 15.75994 302.3402 12.61628 -5.153259      20.18777 
1 1 1 -12 -9  10 o 102.8604 14.82321 261.4970       70.79381 163.9595       116.0648 319.2839       89.33659 81.65274 26.22510 113.3410 17.01131 -31.68826      31.25924 
1 1 1 -12 -9  11 o 583.8123 21.06048 8397.654       586.8643 8264.328       833.1836 8528.933       826.7567 569.7219 30.70272 579.6631 29.93417 -9.941223      42.88020 
1 1 1 -12 -9  12 o 69.96349 25.30053 104.9290       108.6664 -5.393468      199.9885 151.1464       129.4422 72.07263 31.28529 80.33878 27.74234 -8.266144      41.81396 
1 1 1 -12 -9  13 o 148.2436 14.88843 538.9155       104.0925 331.2037       156.2315 704.7302       139.5885 112.2405 28.93152 168.9679 17.53436 -56.72736      33.83026 
1 1 1 -12 -9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -9  18 o 66.85693 22.17481 107.8108       82.65780 79.82227       174.7475 115.8779       93.81679 75.54100 30.76461 69.69837 23.63041 5.842628       38.79250 
1 1 1 -12 -9  19 o 176.9035 17.17881 778.6649       143.4636 778.1679       245.6411 778.9222       176.7387 169.5338 31.46470 175.0027 21.58076 -5.468918      38.15438 
1 1 1 -12 -9  20 o 224.4722 14.32877 1238.775       152.9700 1467.309       274.9478 1136.323       184.0925 238.3549 24.47515 213.1277 18.24233 25.22717       30.52565 
1 1 1 -12 -9  21 o 114.2637 29.15194 358.9198       159.7460 178.3515       398.8377 393.4221       174.3411 103.6951 44.59216 119.0842 30.49320 -15.38912      54.02126 
1 1 1 -12 -9  22 o 150.4205 18.22201 573.5641       128.3737 1054.702       389.3109 514.8665       135.9791 182.3921 44.94176 141.2414 20.75596 41.15067       49.50325 
1 1 1 -12 -9  23 o 197.3557 19.57574 1000.794       182.2724 875.9842       376.6889 1038.951       208.2794 159.3282 46.54693 199.1451 22.25612 -39.81699      51.59410 
1 1 1 -12 -9  24 o 90.22434 26.16515 228.6109       119.4197 70.69661       388.9790 245.0438       125.4795 90.24626 41.07382 93.09319 26.76763 -2.846924      49.02617 
1 1 1 -12 -9  25 f 121.7529 23.43395 407.1116       131.4558 74.33209       408.6635 445.5196       138.8347 89.80832 41.33127 127.3332 23.67718 -37.52493      47.63279 
1 1 1 -12 -9  26 o 92.15192 32.52946 266.5743       178.5345 11.78822       540.4091 297.7896       189.1553 89.53623 43.05809 96.17841 33.51848 -6.642181      54.56636 
1 1 1 -12 -8  1  o 258.4846 7.992015 1602.587       98.64549 1606.562       149.5571 1599.527       131.2419 258.2341 12.14799 257.8965 10.66737 0.3375854      16.16683 
1 1 1 -12 -8  2  o 348.2697 9.342525 2911.606       155.4161 2571.238       312.0116 3023.923       179.2338 324.7325 20.19723 354.7199 10.58063 -29.98746      22.80083 
1 1 1 -12 -8  3  o 497.9833 10.95970 5957.913       260.9286 5816.049       285.7600 6669.409       639.9591 491.7349 12.15520 520.3931 25.80292 -28.65823      28.52262 
1 1 1 -12 -8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -8  5  o 399.9539 8.375241 3836.439       160.1459 4114.771       244.5828 3627.558       211.8817 413.2192 12.39448 388.1989 11.42888 25.02029       16.85949 
1 1 1 -12 -8  6  o 370.8052 8.741834 3299.413       154.9732 3501.989       245.0270 3164.350       200.0735 380.7836 13.48072 362.4364 11.56126 18.34717       17.75930 
1 1 1 -12 -8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -8  12 o 325.5981 11.17963 2559.000       173.7693 2718.739       223.4989 2314.848       276.3115 334.7070 13.99787 306.8763 18.92540 27.83066       23.53957 
1 1 1 -12 -8  13 o 372.8026 15.16449 3383.114       269.7167 3306.928       393.9143 3450.357       370.0750 364.5353 22.71524 373.5623 20.80353 -9.027069      30.80210 
1 1 1 -12 -8  14 o 134.0050 13.75808 439.8680       86.89240 366.6499       164.6282 468.1419       102.3031 117.7952 29.34265 137.7715 15.81839 -19.97623      33.33485 
1 1 1 -12 -8  15 o 430.3368 16.15960 4528.168       331.8755 4814.332       482.5234 4271.268       457.1866 438.7014 23.08726 413.0292 23.24667 25.67215       32.76323 
1 1 1 -12 -8  16 f 272.7528 13.96697 1813.108       181.5228 1970.238       304.8793 1726.818       225.9334 279.8953 22.98603 264.5087 17.97295 15.38660       29.17850 
1 1 1 -12 -8  17 o 145.5920 15.69599 523.4756       107.5289 532.4431       221.4504 520.7090       123.0027 139.8326 33.55430 144.4148 18.22010 -4.582214      38.18198 
1 1 1 -12 -8  18 o 56.81919 24.41013 3.236593       119.2930 163.8603       199.7842 -85.76460      148.7148 88.41071 33.83957 54.86385 25.13212 33.54686       42.15139 
1 1 1 -12 -8  19 o 253.1486 14.13640 1567.938       170.4097 1646.914       289.4049 1526.023       210.8356 254.0510 24.11621 248.0243 17.90083 6.026749       30.03384 
1 1 1 -12 -8  20 o 330.8081 12.33453 2666.465       194.7358 3034.597       376.6939 2532.201       227.4926 345.0840 22.96325 320.9881 14.86452 24.09589       27.35443 
1 1 1 -12 -8  21 o 58.51158 22.56249 63.28038       89.27141 -66.06998      197.2961 96.58022       100.1050 64.86361 29.41539 66.13040 24.22793 -1.266792      38.10849 
1 1 1 -12 -8  22 o 90.92129 30.54014 220.0540       156.7032 26.22528       343.3523 271.0493       176.1148 89.07847 39.72750 99.19827 32.34131 -10.11980      51.22729 
1 1 1 -12 -8  23 o 52.95028 22.56949 14.43107       100.5272 -32.57748      354.2134 18.54905       104.8379 85.14011 38.92029 54.42310 23.11742 30.71701       45.26814 
1 1 1 -12 -8  24 o 103.9710 29.25964 312.3858       151.5437 121.9707       501.3723 331.5313       158.9798 99.37714 45.75134 106.7260 29.94552 -7.348900      54.68016 
1 1 1 -12 -8  25 o 58.24580 22.93885 65.05251       93.84206 -710.5551      631.0576 82.59175       94.89718 81.75716 40.71154 61.37186 23.36313 20.38530       46.93896 
1 1 1 -12 -8  26 o 37.50751 17.88915 -98.39109      89.15189 244.5754       391.5618 -117.1423      91.55659 94.92379 42.37362 36.77024 17.69314 58.15355       45.91918 
1 1 1 -12 -8  27 o 53.43024 22.49706 36.69721       97.85712 621.8133       415.9206 2.409548       100.6835 113.0894 46.90481 49.65619 21.85977 63.43317       51.74853 
1 1 1 -12 -7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -7  4  o 334.3535 12.04670 2692.494       192.2524 2692.494       192.2524 0.000000       0.000000 334.3535 12.04670 ?        ?        0.000000       12.04670 
1 1 1 -12 -7  5  o 225.6527 9.951445 1225.049       107.0941 1049.000       180.3856 1320.880       133.0874 207.1056 18.40968 234.0078 11.93535 -26.90218      21.94012 
1 1 1 -12 -7  6  o 97.56449 15.68562 235.8587       70.68529 252.0115       100.7871 220.2230       99.16096 99.67924 21.76095 93.02549 22.53642 6.653748       31.32777 
1 1 1 -12 -7  7  o 341.6702 14.05094 2824.198       229.0304 2824.198       229.0304 0.000000       0.000000 341.6702 14.05094 ?        ?        0.000000       14.05094 
1 1 1 -12 -7  8  o 54.98941 21.92138 39.96668       86.68221 174.7632       167.4943 -9.342399      101.3034 88.25639 31.47252 51.56583 22.32546 36.69056       38.58686 
1 1 1 -12 -7  9  o 511.5602 18.23227 6388.946       445.1955 6756.178       633.9056 6031.522       625.3839 520.9116 25.53156 491.1775 26.73252 29.73407       36.96604 
1 1 1 -12 -7  10 o 98.18774 19.25997 243.5780       87.17955 148.1653       128.9886 323.8148       118.2864 79.97835 27.69005 112.6751 22.74308 -32.69674      35.83276 
1 1 1 -12 -7  11 o 223.7727 12.52481 1213.080       133.4596 1481.304       241.4940 1095.142       160.1351 244.6297 20.84695 211.6989 15.93900 32.93080       26.24209 
1 1 1 -12 -7  12 f 102.3387 18.40397 263.4392       86.73486 352.1257       144.6708 213.6744       108.3711 116.4351 26.57632 91.10880 24.39496 25.32634       36.07513 
1 1 1 -12 -7  13 f 176.3897 12.55650 755.9469       105.1965 963.5781       178.1551 644.8011       130.3462 197.3125 19.12536 161.6769 17.12324 35.63556       25.67070 
1 1 1 -12 -7  14 o 55.49874 20.19715 63.41471       69.39552 109.1725       146.4565 50.16712       78.80336 75.76872 28.98017 54.76535 21.17691 21.00338       35.89305 
1 1 1 -12 -7  15 o 127.6327 22.19757 415.3314       130.5336 643.5784       293.4495 359.0277       145.7469 151.6651 39.93001 117.0764 26.64046 34.58869       48.00125 
1 1 1 -12 -7  16 o 390.7863 11.18686 3693.419       208.7896 4114.717       438.8491 3570.156       237.3764 405.2687 22.74099 383.4399 12.96752 21.82880       26.17841 
1 1 1 -12 -7  17 o 299.8501 11.90839 2180.417       170.3731 2500.242       320.8145 2054.785       201.0701 316.2553 21.34317 290.0487 14.54644 26.20667       25.82885 
1 1 1 -12 -7  18 o 107.1851 19.18684 291.7390       94.71056 389.8648       215.2144 268.1710       105.4729 119.2875 35.27353 101.7748 22.29471 17.51263       41.72860 
1 1 1 -12 -7  19 o 75.55134 26.55270 134.1268       118.8596 181.2735       180.8289 98.26159       157.7170 88.46809 32.53769 75.10640 29.68864 13.36169       44.04675 
1 1 1 -12 -7  20 o 83.78559 29.41135 172.9887       145.8000 174.6281       315.9476 172.5451       164.3452 98.56382 40.88058 85.18410 31.06926 13.37971       51.34706 
1 1 1 -12 -7  21 o 112.7235 21.61782 330.8986       112.2650 531.0009       338.0358 306.0918       119.0205 131.4418 44.85056 107.4904 23.79004 23.95135       50.76947 
1 1 1 -12 -7  22 o 102.7826 22.95943 280.1426       109.9708 282.7329       319.2186 279.7938       117.1415 105.8649 42.11192 102.2170 24.32443 3.647873       48.63221 
1 1 1 -12 -7  23 o 224.5319 16.38839 1261.393       174.7116 1342.684       311.1870 1223.974       211.1267 220.5423 30.31475 218.4947 20.44885 2.047607       36.56691 
1 1 1 -12 -7  24 o 58.54301 23.96166 49.54464       106.6591 143.0589       300.6151 36.07725       114.0811 89.47360 38.59723 58.07977 24.36246 31.39384       45.64291 
1 1 1 -12 -7  25 o 88.22028 24.38349 217.4363       106.2701 52.44887       392.4783 230.4892       110.3938 88.32439 40.59580 90.64133 24.77300 -2.316940      47.55755 
1 1 1 -12 -7  26 o 143.1083 25.23716 575.9368       166.3605 980.7415       421.1882 501.1103       181.0844 151.4546 50.04937 129.3376 29.88548 22.11700       58.29306 
1 1 1 -12 -7  27 o 67.80779 24.16043 123.9235       98.68674 381.2690       243.1068 73.14928       107.9842 102.5066 37.72248 60.26925 24.31498 42.23735       44.87988 
1 1 1 -12 -6  1  o 221.5806 7.532208 1177.460       79.67654 1129.816       116.0862 1219.896       109.5564 216.6106 11.24819 225.2437 10.20012 -8.633087      15.18434 
1 1 1 -12 -6  2  o 251.5592 8.647421 1518.876       103.8458 1508.316       191.9994 1523.242       123.4629 249.4217 16.18862 251.7106 10.28115 -2.288910      19.17742 
1 1 1 -12 -6  3  o 45.27840 15.13284 46.60336       38.48005 -12.04351      61.14103 85.07017       49.51690 39.38566 17.19448 58.63396 16.80125 -19.24830      24.04022 
1 1 1 -12 -6  4  o 669.0632 8.210010 10731.65       262.6147 10105.03       380.1412 11303.73       363.2228 648.0851 12.26887 685.8541 11.07728 -37.76898      16.52971 
1 1 1 -12 -6  5  o 238.8518 11.27888 1374.646       128.4323 1367.126       188.0513 1381.220       175.8259 237.0826 16.69763 238.5896 15.49814 -1.506989      22.78164 
1 1 1 -12 -6  6  o 232.4124 9.059897 1298.299       100.4750 1229.095       173.6586 1333.123       123.1875 224.7477 16.27210 235.2143 10.98489 -10.46661      19.63285 
1 1 1 -12 -6  7  o 51.34827 17.95226 57.21202       54.28584 41.25578       157.4815 59.36373       57.83036 69.75503 28.89051 52.57708 18.51769 17.17795       34.31569 
1 1 1 -12 -6  8  o 214.0975 15.52002 1116.137       157.7806 0.000000       0.000000 1116.137       157.7806 ?        ?        214.0975 15.52002 0.000000       15.52002 
1 1 1 -12 -6  9  o 211.0100 11.90924 1076.792       119.6545 794.8231       219.2529 1196.390       142.7932 176.8343 26.77065 222.0969 13.51190 -45.26265      29.98732 
1 1 1 -12 -6  10 o 83.10229 19.91562 175.8438       78.09167 213.3445       130.5780 154.9632       97.43657 91.58796 27.57077 78.67905 23.84487 12.90891       36.45169 
1 1 1 -12 -6  11 o 254.3850 13.17310 1568.858       159.6636 1481.839       257.2934 1623.353       203.6094 244.0446 22.29826 257.7252 16.61315 -13.68060      27.80664 
1 1 1 -12 -6  12 o 164.3616 12.46442 656.3298       97.21452 654.4300       172.3660 657.2161       117.7253 161.0889 23.03600 163.8368 15.20312 -2.747925      27.60058 
1 1 1 -12 -6  13 o 223.7715 13.27631 1216.479       141.3950 1060.182       288.4979 1265.891       162.2132 201.8626 30.87322 227.7951 14.97786 -25.93250      34.31461 
1 1 1 -12 -6  14 o 96.82761 23.70366 242.6204       108.8301 333.2384       182.1397 192.3046       135.7218 112.0580 32.25871 87.66236 28.37725 24.39565       42.96385 
1 1 1 -12 -6  15 o 144.4640 17.49453 518.2673       118.3700 700.4669       202.0052 422.9915       146.0765 164.7477 26.54906 127.9242 24.77991 36.82348       36.31662 
1 1 1 -12 -6  16 o 275.4045 12.52079 1841.834       164.4272 1729.927       327.6479 1879.504       190.0981 259.8098 26.76043 277.5278 14.37626 -17.71805      30.37758 
1 1 1 -12 -6  17 o 94.78977 21.26219 231.9283       93.97687 109.2077       283.3038 247.1017       99.61733 92.00989 38.47951 97.74135 21.86599 -5.731461      44.25827 
1 1 1 -12 -6  18 o 183.0219 15.25100 823.6253       132.2356 974.0469       305.7154 789.0049       146.6657 188.9893 35.12812 178.3560 17.42205 10.63332       39.21113 
1 1 1 -12 -6  19 o 111.4469 24.29355 325.1234       125.7783 129.0205       195.5719 463.4484       164.2536 83.57504 33.05259 132.5310 26.84451 -48.95598      42.58053 
1 1 1 -12 -6  20 o 77.72419 22.23743 156.7643       86.80814 99.23736       152.2979 184.4483       105.6507 74.02829 29.20164 83.94960 24.68563 -9.921310      38.23763 
1 1 1 -12 -6  21 o 59.41933 24.71692 35.06540       115.9752 14.40858       157.0778 59.82126       171.9579 64.72930 27.91147 71.81297 30.00196 -7.083672      40.97765 
1 1 1 -12 -6  22 f 153.5089 16.44862 590.5121       118.8378 547.9470       212.5480 609.8694       143.3347 139.1557 32.53387 154.4559 19.87040 -15.30016      38.12199 
1 1 1 -12 -6  23 o 131.5047 20.63925 448.7988       125.4928 187.1321       306.0292 501.6942       137.5934 95.81947 40.02711 138.7725 21.42825 -42.95300      45.40197 
1 1 1 -12 -6  24 o 81.11530 31.12448 159.9822       169.2939 -272.6608      410.4091 248.6942       185.8418 78.65392 37.74633 93.71083 33.17849 -15.05692      50.25533 
1 1 1 -12 -6  25 o 147.4608 19.04340 568.0408       131.1231 244.8242       377.8643 612.2899       139.8108 97.92930 42.74924 152.8003 19.58850 -54.87103      47.02347 
1 1 1 -12 -6  26 o 102.7309 22.70019 292.4037       108.5169 369.4240       244.4616 273.5026       121.1024 104.9171 37.94687 97.59160 25.63101 7.325478       45.79207 
1 1 1 -12 -6  27 o 46.35982 20.88906 -22.16333      97.62606 225.1420       246.9155 -67.98746      106.2867 86.67201 36.06013 44.04501 20.54737 42.62701       41.50335 
1 1 1 -12 -5  1  o 364.6613 7.221281 3184.979       125.8961 3368.282       183.4108 3021.665       173.1223 374.4982 10.25358 354.6966 10.21976 19.80164       14.47686 
1 1 1 -12 -5  2  o 309.6110 7.371283 2296.357       109.1108 2453.064       164.2820 2172.670       145.9513 319.4348 10.77261 300.6983 10.16702 18.73654       14.81275 
1 1 1 -12 -5  3  o 69.99900 13.59575 121.9907       43.85879 152.0863       95.84286 114.0192       49.32652 78.45076 23.62180 67.39798 15.61474 11.05278       28.31624 
1 1 1 -12 -5  4  o 349.1259 9.623857 2927.633       160.4815 3072.601       191.7671 2588.845       293.1585 357.3647 11.23813 326.0442 18.88777 31.32053       21.97825 
1 1 1 -12 -5  5  o 327.5117 12.83775 2587.476       200.6236 2744.974       288.1709 2439.336       279.4781 335.8985 18.01045 316.4203 18.55605 19.47824       25.85930 
1 1 1 -12 -5  6  o 41.08890 15.85558 26.78239       44.10899 118.5912       77.94067 -16.47682      53.50091 69.56826 21.37430 35.87805 15.85856 33.69021       26.61493 
1 1 1 -12 -5  7  o 299.1596 12.62736 2161.166       180.1964 2208.693       262.8279 2119.009       247.5318 300.7629 18.36598 294.8110 17.64291 5.951904       25.46727 
1 1 1 -12 -5  8  f 189.3032 10.20389 864.1722       92.00767 818.4404       160.5493 886.5364       112.2730 182.3339 18.68144 191.3631 12.33756 -9.029266      22.38776 
1 1 1 -12 -5  9  o 401.8047 9.973274 3882.840       191.5848 4478.515       431.8343 3736.862       213.7750 426.4927 21.24548 393.6618 11.37053 32.83090       24.09688 
1 1 1 -12 -5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -5  11 o 243.0099 11.09847 1426.349       128.6019 1688.529       240.3506 1321.181       152.2251 261.8107 19.33864 233.2213 13.71294 28.58942       23.70712 
1 1 1 -12 -5  12 o 123.1716 16.43497 375.6661       94.36745 280.2120       283.4603 387.5640       100.0760 109.7845 40.67385 124.9364 17.21138 -15.15182      44.16553 
1 1 1 -12 -5  13 o 63.15644 20.67650 95.28425       71.94817 66.46185       172.6302 101.3432       79.15012 74.45431 30.48040 65.36366 21.69985 9.090652       37.41574 
1 1 1 -12 -5  14 o 131.4539 14.42167 424.5483       89.14894 463.6590       165.9462 408.6818       105.6963 133.4498 26.93946 128.0650 17.73892 5.384781       32.25529 
1 1 1 -12 -5  15 o 104.7684 17.65924 275.9815       85.31075 76.78869       164.6527 349.0789       99.74312 74.06832 29.97352 117.9382 18.28093 -43.86987      35.10846 
1 1 1 -12 -5  16 o 215.4686 14.40855 1135.218       147.5739 1091.724       290.7741 1150.308       171.2710 203.4901 30.85505 216.0777 16.70900 -12.58760      35.08882 
1 1 1 -12 -5  17 o 371.8952 13.66279 3368.877       242.5098 3390.592       322.0257 3340.428       368.5931 370.4149 18.24028 365.5946 21.17884 4.820313       27.95087 
1 1 1 -12 -5  18 f 60.91784 25.65640 24.16615       127.3243 -88.05204      232.3347 72.33463       152.2172 70.18582 31.86526 71.18896 28.81541 -1.003143      42.96187 
1 1 1 -12 -5  19 o 93.28813 22.57330 226.9868       99.57645 -131.4008      249.9443 294.6011       108.5640 70.06616 32.27379 106.6569 22.02054 -36.59077      39.07047 
1 1 1 -12 -5  20 o 114.1436 26.70161 348.7445       143.1055 460.1359       269.5657 305.0320       168.8659 126.0098 39.91153 105.6904 31.24331 20.31939       50.68604 
1 1 1 -12 -5  21 o 105.5881 19.14132 286.6058       93.06921 109.3130       178.0570 353.2520       109.1694 78.01325 31.31036 117.0620 20.23832 -39.04876      37.28175 
1 1 1 -12 -5  22 o 62.32801 26.45738 28.59654       137.1618 92.86115       271.3277 6.536029       158.9703 86.22246 36.92353 63.90489 27.81481 22.31757       46.22781 
1 1 1 -12 -5  23 o 148.5494 18.24327 561.6400       126.8460 66.67040       305.3463 664.8723       139.4477 86.86091 38.15904 161.7171 18.36090 -74.85619      42.34661 
1 1 1 -12 -5  24 o 187.9178 16.41218 892.4639       145.9711 1104.720       325.7056 839.1158       163.2880 190.3576 37.12265 180.3901 19.22972 9.967484       41.80758 
1 1 1 -12 -5  25 o 238.6597 17.84144 1464.371       202.0985 1609.989       540.3093 1440.684       217.9167 194.8366 55.39220 235.0641 19.56812 -40.22754      58.74697 
1 1 1 -12 -5  26 o 123.5905 30.76723 464.4865       181.0835 561.9504       443.9008 445.0293       198.3368 115.3608 48.20019 118.3425 33.53228 -2.981689      58.71688 
1 1 1 -12 -5  27 o 67.88760 24.86945 122.3062       105.4728 -198.6316      246.9554 193.9087       116.6467 59.85738 28.86666 81.04780 26.31325 -21.19041      39.05984 
1 1 1 -12 -5  28 o 81.59779 25.69762 201.9357       111.8979 135.1654       255.9647 217.7110       124.4164 77.38815 34.42075 83.77480 27.17371 -6.386650      43.85428 
1 1 1 -12 -4  1  o 62.28537 11.66405 96.22583       33.45699 88.72454       67.87505 98.63338       38.45301 61.52118 20.07908 62.85808 13.21567 -1.336899      24.03796 
1 1 1 -12 -4  2  o 293.5960 7.356658 2066.381       103.1803 2148.339       156.3548 2003.156       137.3278 298.8545 10.96175 288.7239 9.963653 10.13052       14.81331 
1 1 1 -12 -4  3  o 350.1490 7.346509 2937.574       122.9822 3190.792       186.0989 2741.255       163.8619 364.3030 10.69654 337.7400 10.15971 26.56296       14.75247 
1 1 1 -12 -4  4  o 557.2742 7.701630 7443.554       205.1918 7749.002       301.9685 7181.530       279.6814 567.7682 11.12454 546.6975 10.70060 21.07068       15.43562 
1 1 1 -12 -4  5  o 280.1184 13.36609 1895.913       178.4841 1895.913       178.4841 0.000000       0.000000 280.1184 13.36609 ?        ?        0.000000       13.36609 
1 1 1 -12 -4  6  o 272.2856 8.888514 1781.280       115.5526 1821.518       224.5439 1766.786       134.7672 273.4515 17.26374 270.9170 10.42439 2.534485       20.16692 
1 1 1 -12 -4  7  o 415.6710 9.524287 4150.830       189.2738 4193.524       440.9729 4141.188       209.5590 412.6201 22.43832 414.8167 10.57538 -2.196564      24.80558 
1 1 1 -12 -4  8  o 110.3308 13.71365 298.5659       70.77989 285.2924       159.7811 301.8065       78.94860 105.0585 30.20471 110.5910 15.34482 -5.532455      33.87902 
1 1 1 -12 -4  9  o 485.6344 17.38683 5752.157       403.0293 6019.800       575.9426 5495.336       564.1785 491.9944 24.56328 469.5276 25.22577 22.46683       35.20929 
1 1 1 -12 -4  10 o 252.7910 11.03900 1542.887       133.0918 1569.459       282.1034 1535.279       150.9467 250.5119 23.84149 251.7938 12.57904 -1.281937      26.95643 
1 1 1 -12 -4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -4  12 o 335.3307 10.71506 2712.955       171.5610 2677.115       333.6203 2725.840       200.0370 328.6625 21.34765 335.5743 12.49027 -6.911804      24.73316 
1 1 1 -12 -4  13 o 197.3147 13.59726 948.0505       127.4839 1371.041       266.9524 823.0853       145.0985 233.2119 24.29875 182.8893 16.78148 50.32259       29.53045 
1 1 1 -12 -4  14 o 406.3753 13.11437 4006.073       254.4568 3997.480       317.1592 4021.598       426.2823 404.2574 16.44441 401.6931 22.28435 2.564331       27.69496 
1 1 1 -12 -4  15 o 61.51795 21.42409 85.69630       77.27043 -37.62335      211.2784 104.7381       83.02206 70.76215 31.38414 66.36684 22.22873 4.395309       38.45882 
1 1 1 -12 -4  16 o 446.2110 12.54220 4832.147       267.2953 4997.552       322.4008 4468.477       478.0527 452.3792 14.92726 420.8805 23.85561 31.49872       28.14095 
1 1 1 -12 -4  17 o 200.7564 14.71730 988.6030       140.2741 1270.269       253.4314 864.1985       168.4267 223.2173 24.13102 185.9473 19.22260 37.26999       30.85149 
1 1 1 -12 -4  18 o 145.9464 20.35557 538.8999       138.1726 599.1212       331.4466 526.2328       152.0113 142.7539 44.11616 143.1440 22.99056 -0.3901062     49.74738 
1 1 1 -12 -4  19 o 132.1540 17.52994 437.5890       108.0274 161.3448       294.9471 480.3875       116.0946 96.64747 39.73395 138.4071 17.96837 -41.75965      43.60790 
1 1 1 -12 -4  20 o 212.5702 15.35419 1115.544       154.9891 1716.414       300.6373 898.0392       180.8786 257.8945 24.68421 188.2959 20.41912 69.59853       32.03515 
1 1 1 -12 -4  21 o 241.3079 15.22583 1440.263       174.7595 1327.823       328.0610 1484.812       206.4980 219.5729 32.20832 243.5095 17.86173 -23.93663      36.82957 
1 1 1 -12 -4  22 o 67.14427 23.97283 105.8439       97.20879 22.40382       285.2465 116.8076       103.3982 82.37293 36.50358 69.84186 24.74613 12.53107       44.10082 
1 1 1 -12 -4  23 o 105.1710 30.45143 313.4027       161.8674 523.2503       401.5162 272.6794       176.8775 125.5756 47.99559 98.43118 32.42962 27.14439       57.92458 
1 1 1 -12 -4  24 o 127.0353 17.88580 415.8375       105.6244 393.2094       187.3980 426.3732       127.8711 114.7618 32.62030 126.4781 21.94217 -11.71628      39.31339 
1 1 1 -12 -4  25 o 155.6029 15.98783 617.7474       117.2464 691.8626       201.7103 579.9290       144.0875 155.3157 28.20312 147.4611 21.03354 7.854553       35.18274 
1 1 1 -12 -4  26 o 56.55613 22.86159 55.77500       95.66814 202.1862       179.1804 -2.605209      113.1452 84.33626 32.10377 52.32011 23.09703 32.01615       39.54902 
1 1 1 -12 -4  27 o 74.58691 30.51950 139.6290       172.9660 159.8548       402.1042 135.0370       191.5976 87.10435 40.40727 75.32211 31.58230 11.78224       51.28537 
1 1 1 -12 -4  28 o 52.86560 24.62555 -58.34877      151.7581 86.26508       248.7827 -144.0496      191.5172 73.24752 33.14293 53.79313 25.80757 19.45439       42.00577 
1 1 1 -12 -3  1  o 207.4880 7.471377 1032.849       73.99329 1067.256       112.3499 1006.493       98.33046 210.4516 11.20679 204.5138 10.08787 5.937729       15.07836 
1 1 1 -12 -3  2  o 344.9739 7.320633 2851.436       120.7378 2863.884       180.4949 2841.355       162.4285 345.0575 10.95509 343.8932 9.889668 1.164307       14.75871 
1 1 1 -12 -3  3  o 357.1037 7.409006 3055.991       126.4919 3092.015       190.7846 3027.735       168.9686 358.4677 11.14585 354.9527 9.966838 3.514984       14.95218 
1 1 1 -12 -3  4  o 142.5256 8.977027 489.3661       60.85859 418.6309       113.6301 517.8181       72.06625 129.9608 18.83675 146.4438 10.36012 -16.48308      21.49780 
1 1 1 -12 -3  5  o 186.4236 8.583344 835.6134       76.29546 788.2748       136.0888 857.3123       92.13688 179.7486 16.00326 188.6023 10.25689 -8.853714      19.00811 
1 1 1 -12 -3  6  o 123.2758 9.901937 367.5112       57.86832 295.8860       129.7375 385.3005       64.65646 107.3049 25.64033 126.1039 10.82921 -18.79903      27.83340 
1 1 1 -12 -3  7  o 323.9251 10.99710 2528.627       170.0594 2438.723       207.6715 2711.635       296.2939 317.3949 13.71814 332.9630 18.68809 -15.56808      23.18258 
1 1 1 -12 -3  8  o 434.5995 9.542097 4540.454       198.2629 4336.487       475.0377 4583.478       218.1734 418.0005 23.86998 436.4080 10.45685 -18.40744      26.05997 
1 1 1 -12 -3  9  o 234.8983 9.354777 1328.663       104.8461 1410.923       195.0558 1295.238       124.3354 240.0663 17.10703 231.5396 11.26593 8.526764       20.48344 
1 1 1 -12 -3  10 o 277.9302 9.343352 1859.752       123.9735 1840.695       227.2191 1867.829       147.9331 274.0982 17.42953 278.1154 11.14841 -4.017151      20.68999 
1 1 1 -12 -3  11 o 67.71368 20.96733 113.1830       74.82652 -93.43054      184.6534 153.7767       81.84773 62.15716 28.29351 77.69595 21.36954 -15.53879      35.45673 
1 1 1 -12 -3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -3  13 o 61.47166 20.91256 87.46192       73.48368 249.6877       207.9004 64.30138       78.55428 100.6098 35.13501 57.38744 21.38316 43.22234       41.13038 
1 1 1 -12 -3  14 o 137.0734 16.52493 465.4256       106.1109 175.9229       290.9473 509.8407       113.9603 99.24043 39.95610 143.4237 16.94667 -44.18328      43.40137 
1 1 1 -12 -3  15 o 227.7914 14.81531 1269.626       160.4700 1262.491       371.2017 1271.266       177.9579 214.6870 37.53130 227.3201 16.48666 -12.63309      40.99279 
1 1 1 -12 -3  16 o 65.19292 24.96622 79.56647       108.7857 110.2460       218.4210 69.44553       125.4527 84.52110 34.40491 66.47495 26.41387 18.04615       43.37500 
1 1 1 -12 -3  17 o 288.4393 12.10834 2021.395       166.6021 2061.662       332.7830 2007.928       192.4568 284.2104 24.73756 286.6614 14.08599 -2.450989      28.46686 
1 1 1 -12 -3  18 o 123.7690 17.57494 384.4507       101.0751 250.9278       249.9977 410.5415       110.5100 101.9046 38.11141 127.6025 18.66699 -25.69788      42.43744 
1 1 1 -12 -3  19 o 75.95551 28.06923 127.3397       134.8441 260.6977       341.7431 102.7483       146.7511 108.1656 43.38894 73.92735 28.81187 34.23820       52.08381 
1 1 1 -12 -3  20 f 184.1788 13.76403 834.2573       120.3210 617.8112       193.4184 970.8924       153.6753 151.9411 27.64459 197.6363 16.41200 -45.69525      32.14930 
1 1 1 -12 -3  21 o 191.3733 15.48794 909.8543       140.4946 944.7997       204.1375 878.4056       193.6553 190.9810 22.80787 184.2991 22.44053 6.681885       31.99651 
1 1 1 -12 -3  22 o 123.4934 21.43989 398.7849       121.9936 279.2029       273.3988 428.5133       136.3167 102.3490 39.47992 127.1988 23.27336 -24.84985      45.82918 
1 1 1 -12 -3  23 o 141.8281 17.46146 511.5030       115.9032 644.9233       188.6360 430.5860       146.9039 153.9754 26.58582 125.9832 25.26999 27.99216       36.67940 
1 1 1 -12 -3  24 o 206.1540 16.63675 1078.266       162.5800 1176.442       228.3473 977.3328       231.5315 209.9543 23.13192 188.3126 26.44481 21.64172       35.13422 
1 1 1 -12 -3  25 o 105.3066 34.38908 352.8845       199.0829 457.2310       448.3412 327.2569       222.1894 109.9844 47.28745 100.9834 36.22144 9.000977       59.56589 
1 1 1 -12 -3  26 o 83.60750 32.63852 197.0317       188.5724 70.61949       346.6441 250.1644       224.7347 83.20786 38.21018 90.51143 35.54306 -7.303566      52.18551 
1 1 1 -12 -3  27 o 70.16391 27.15028 129.9384       129.5965 666.2933       354.7401 47.32855       139.2195 120.0356 45.29081 60.85669 26.25950 59.17895       52.35283 
1 1 1 -12 -3  28 o 41.91634 19.94279 -95.93174      109.4076 165.5585       592.5543 -105.1608      111.3216 86.39722 42.34154 41.69353 19.91441 44.70370       46.79092 
1 1 1 -12 -2  1  o 510.8054 7.492778 6253.160       182.9813 6253.160       182.9813 0.000000       0.000000 510.8054 7.492778 ?        ?        0.000000       7.492778 
1 1 1 -12 -2  2  o 393.0139 7.144229 3701.202       134.2368 3918.370       198.1245 3516.907       182.5140 403.7317 10.27283 382.5359 9.988200 21.19583       14.32812 
1 1 1 -12 -2  3  o 171.9981 7.930228 710.8583       65.03503 690.3273       110.1788 721.8367       80.56795 168.6017 13.78906 173.0928 9.775603 -4.491150      16.90268 
1 1 1 -12 -2  4  o 105.4324 10.03130 269.4786       49.95525 167.3898       100.6760 302.8242       57.53826 81.72286 24.11510 111.6869 10.91487 -29.96406      26.47022 
1 1 1 -12 -2  5  o 136.3025 8.886786 447.8969       57.59469 619.2404       118.9517 395.4271       65.82510 159.1037 15.84860 127.7481 10.88123 31.35559       19.22444 
1 1 1 -12 -2  6  o 331.8107 8.924466 2645.954       141.4446 2793.199       301.2375 2604.309       160.2031 337.9070 18.71993 328.9184 10.19998 8.988525       21.31843 
1 1 1 -12 -2  7  o 182.5289 8.814975 802.0975       76.69646 903.8746       140.0519 758.5001       91.66309 192.4669 15.34739 177.1552 10.87503 15.31172       18.80980 
1 1 1 -12 -2  8  o 258.0678 8.927353 1602.267       109.9792 1750.076       213.9984 1549.216       128.2055 267.5932 16.81231 253.4197 10.60520 14.17349       19.87773 
1 1 1 -12 -2  9  o 268.9593 9.135866 1741.235       117.3042 1917.030       228.6981 1678.474       136.6489 279.8356 17.17707 263.6844 10.86286 16.15125       20.32372 
1 1 1 -12 -2  10 o 278.8968 9.375300 1873.248       124.8301 2021.804       246.0852 1821.779       144.8496 286.9471 18.02918 274.6366 11.05450 12.31052       21.14836 
1 1 1 -12 -2  11 o 130.5509 13.74939 417.5295       84.52967 619.1693       202.2929 374.8744       93.04185 154.2750 28.47568 123.0303 16.21241 31.24467       32.76746 
1 1 1 -12 -2  12 o 302.3354 11.42434 2210.420       164.8340 2141.168       364.5328 2228.218       184.8065 290.3613 26.55330 303.1154 12.78135 -12.75415      29.46931 
1 1 1 -12 -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 -2  14 o 142.8757 12.95146 498.9646       87.50780 558.0049       147.0440 466.5887       108.8890 148.5501 21.31431 137.0346 16.98381 11.51549       27.25343 
1 1 1 -12 -2  15 f 161.0387 14.04232 635.8575       107.0327 698.8033       218.5874 616.0057       122.7557 162.6873 29.17554 157.7312 16.52349 4.956085       33.52965 
1 1 1 -12 -2  16 o 331.4339 10.91958 2659.784       172.7898 2441.968       322.1193 2747.779       204.7384 311.7132 21.75138 336.0963 12.76490 -24.38303      25.22033 
1 1 1 -12 -2  17 o 238.6322 12.35174 1386.284       140.4381 1294.643       218.7525 1450.537       183.1702 227.0974 20.36398 242.7064 15.87285 -15.60899      25.81935 
1 1 1 -12 -2  18 o 63.49052 23.13767 86.90412       91.11806 -132.2749      226.0242 129.4367       99.56725 66.01698 30.50920 72.72856 24.34286 -6.711586      39.03058 
1 1 1 -12 -2  19 o 98.39572 24.47137 256.4127       114.6376 116.8705       150.6088 448.6136       176.7564 76.13611 29.31980 128.5692 29.39761 -52.43314      41.51952 
1 1 1 -12 -2  20 o 149.1020 19.15221 565.0054       133.3754 -62.42519      376.1413 655.2395       142.6440 87.83634 40.13540 160.8276 18.91283 -72.99122      44.36829 
1 1 1 -12 -2  21 o 65.70900 28.01509 32.05478       154.9617 130.7885       284.5948 -9.553904      184.7507 90.26363 38.20401 66.69576 29.47555 23.56787       48.25303 
1 1 1 -12 -2  22 o 69.22910 29.80117 34.09869       178.4817 -13.64788      496.2789 41.19168       191.2800 97.51629 45.11626 71.72160 30.86238 25.79469       54.66227 
1 1 1 -12 -2  23 o 95.62348 25.69361 252.5957       119.9585 276.0702       309.0375 248.4312       130.1650 101.4708 41.06335 94.36448 27.30247 7.106331       49.31150 
1 1 1 -12 -2  24 o 66.26267 25.70597 95.32817       116.3977 -127.2569      315.0660 130.5095       125.2592 73.70123 34.69799 72.59911 27.01134 1.102127       43.97230 
1 1 1 -12 -2  25 o 173.8915 19.14850 795.6221       156.5601 598.4915       347.9543 845.6617       175.3081 122.6801 45.13257 177.6954 21.04358 -55.01530      49.79741 
1 1 1 -12 -2  26 o 58.65632 25.04371 39.93142       124.1463 225.4957       342.9158 11.94155       133.1805 90.66433 40.10849 57.09078 25.13662 33.57355       47.33435 
1 1 1 -12 -2  27 o 71.71445 31.64893 90.91719       212.2858 268.8842       536.9720 57.94971       231.1133 91.20985 43.61218 70.77968 31.99320 20.43017       54.08870 
1 1 1 -12 -1  1  f 84.17309 10.29335 172.7648       40.56182 172.7648       40.56182 0.000000       0.000000 84.17309 10.29335 ?        ?        0.000000       10.29335 
1 1 1 -12 -1  2  o 89.39768 9.075471 193.8114       38.25159 221.9684       84.02254 186.4500       42.96186 93.79335 19.37904 87.45142 10.48437 6.341927       22.03336 
1 1 1 -12 -1  3  o 106.1716 8.716049 272.3744       43.85301 294.5381       88.65240 265.1942       50.45881 108.7620 17.65401 104.5397 10.22661 4.222260       20.40215 
1 1 1 -12 -1  4  o 230.4997 7.806506 1275.926       85.90300 1224.932       140.6766 1306.247       108.4761 224.8864 13.14155 232.9252 9.762777 -8.038788      16.37108 
1 1 1 -12 -1  5  o 200.0443 8.151288 962.0116       77.79474 966.0293       138.3527 960.1539       94.07563 199.2296 14.62727 199.5863 9.889919 -0.3567505     17.65694 
1 1 1 -12 -1  6  o 176.3466 8.702180 748.7623       73.14085 847.3681       140.9009 712.3918       85.57317 186.1138 15.99016 171.7195 10.47322 14.39430       19.11475 
1 1 1 -12 -1  7  o 229.7137 8.637705 1269.498       94.69331 1348.452       179.9332 1239.255       111.3622 234.9388 16.11710 226.6504 10.30411 8.288376       19.12945 
1 1 1 -12 -1  8  o 420.0829 7.990562 4237.451       160.4799 4403.606       255.7413 4129.527       206.1110 426.6573 12.55121 413.9188 10.42373 12.73846       16.31524 
1 1 1 -12 -1  9  o 262.6329 8.771307 1659.945       109.9796 1854.672       202.7890 1578.805       130.9028 275.7345 15.44487 255.6987 10.73195 20.03584       18.80741 
1 1 1 -12 -1  10 o 293.6250 9.329830 2076.582       130.8047 2239.062       263.4860 2023.441       150.6843 301.7080 18.35362 289.4392 10.90888 12.26880       21.35085 
1 1 1 -12 -1  11 o 152.7974 12.16718 568.0377       88.14851 735.2369       204.8162 530.0276       97.65543 169.2253 26.15851 147.1279 14.05390 22.09746       29.69477 
1 1 1 -12 -1  12 o 62.19218 20.31790 92.86621       69.49108 151.2204       125.3017 66.94588       83.51053 79.58691 27.30234 58.77913 22.01805 20.80778       35.07438 
1 1 1 -12 -1  13 o 286.2627 13.72533 1995.204       187.2962 2178.956       309.8693 1889.425       235.1037 294.9906 22.13300 276.8112 17.86042 18.17944       28.44053 
1 1 1 -12 -1  14 o 251.8692 33.16481 1690.323       389.6620 1690.323       389.6620 0.000000       0.000000 251.8692 33.16481 ?        ?        0.000000       33.16481 
1 1 1 -12 -1  15 o 102.7704 19.64814 269.9714       93.02045 341.5272       227.0476 255.5381       101.9713 112.1820 36.73062 99.23293 22.06472 12.94905       42.84846 
1 1 1 -12 -1  16 o 91.31153 29.07800 217.1951       142.9222 291.3797       383.8230 205.2532       153.9967 113.6165 45.84007 89.84588 30.27581 23.77065       54.93575 
1 1 1 -12 -1  17 o 267.9791 13.38186 1753.578       170.9029 1527.441       318.5846 1844.948       202.5070 241.5807 28.10812 273.8998 15.52825 -32.31909      32.11219 
1 1 1 -12 -1  18 o 95.61147 22.32550 239.1051       100.1912 80.97600       250.4113 269.2440       109.3231 84.78732 35.85884 101.3212 23.08522 -16.53393      42.64721 
1 1 1 -12 -1  19 o 276.3290 14.97241 1881.186       197.0613 2267.801       459.4326 1794.022       218.1472 286.7215 34.18885 268.6399 17.07355 18.08163       38.21496 
1 1 1 -12 -1  20 o 208.8225 17.42608 1093.824       172.3899 1173.814       308.8297 1057.619       207.7728 205.2657 32.55511 202.6947 21.78202 2.570969       39.17004 
1 1 1 -12 -1  21 o 127.4215 22.16383 426.9151       130.1191 419.4896       428.4029 427.6697       136.5710 118.2578 48.16645 126.9235 23.36727 -8.665718      53.53537 
1 1 1 -12 -1  22 o 65.21134 27.34839 49.08242       143.7143 186.3669       226.7400 -43.10561      185.8039 89.31966 35.50421 63.58194 28.71801 25.73773       45.66479 
1 1 1 -12 -1  23 o 142.0596 25.78338 554.9618       168.6658 318.7698       289.7254 676.0450       207.4417 103.3541 40.42446 154.4408 29.16344 -51.08678      49.84620 
1 1 1 -12 -1  24 o 100.8343 30.68779 306.9727       161.1543 507.9660       251.9429 167.7913       209.6535 122.4669 38.55843 82.85958 33.71525 39.60737       51.21982 
1 1 1 -12 -1  25 o 49.46183 23.69728 -158.9168      160.2590 -195.4030      246.8318 -132.3279      210.7109 60.95081 29.25641 59.14185 28.00357 1.808964       40.49862 
1 1 1 -12 -1  26 o 66.67933 25.94430 109.0913       118.8380 451.3102       436.3249 81.67127       123.5072 102.1940 45.22420 63.29204 25.83076 38.90198       52.08125 
1 1 1 -12 -1  27 o 77.70056 26.65778 185.1358       119.4560 225.6522       275.3151 175.7393       132.5865 83.57487 36.48647 75.98170 27.87540 7.593170       45.91623 
1 1 1 -12 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0   2  o 117.1827 11.18337 333.6121       61.89440 333.6121       61.89440 0.000000       0.000000 117.1827 11.18337 ?        ?        0.000000       11.18337 
1 1 1 -12 0   3  o 303.7971 6.902148 2212.660       100.2481 2468.959       151.1037 2011.158       133.9803 320.2707 9.880280 289.0615 9.708658 31.20917       13.85200 
1 1 1 -12 0   4  o 149.6367 7.899446 538.8652       56.31213 568.3295       98.76563 524.6733       68.54507 152.6908 13.67420 147.3815 9.783416 5.309387       16.81365 
1 1 1 -12 0   5  o 442.1746 7.432507 4691.082       157.1222 4863.247       234.5103 4550.843       211.6522 449.2557 10.91842 434.8118 10.18153 14.44391       14.92902 
1 1 1 -12 0   6  f 206.5144 8.065897 1025.672       79.48322 1250.187       139.4386 917.6088       96.73861 227.0156 12.90061 194.9121 10.41918 32.10356       16.58268 
1 1 1 -12 0   7  o 247.0419 7.945582 1467.093       93.72157 1780.165       163.2172 1313.088       114.4753 271.0352 12.63071 233.2519 10.29079 37.78325       16.29218 
1 1 1 -12 0   8  o 238.7175 8.385633 1371.069       95.55499 1615.029       171.2334 1260.741       115.1522 257.6901 13.95099 228.4591 10.57145 29.23093       17.50387 
1 1 1 -12 0   9  o 116.0269 10.92576 327.5656       59.89303 384.9845       106.6309 301.1013       72.39133 124.0132 18.55418 110.5554 14.01030 13.45786       23.24965 
1 1 1 -12 0   10 o 91.61156 12.05055 206.3137       51.50097 278.5770       104.0745 182.8801       59.26600 104.2496 21.59243 85.50121 15.04785 18.74842       26.31864 
1 1 1 -12 0   11 o 152.5549 12.14043 566.6754       87.81608 498.2195       186.0926 586.2864       99.60366 137.2490 29.25512 154.8361 13.59315 -17.58716      32.25888 
1 1 1 -12 0   12 o 80.16518 15.92136 162.2569       58.86823 399.6786       194.4535 138.3018       61.76668 121.5236 32.73895 73.62199 17.75575 47.90164       37.24387 
1 1 1 -12 0   13 o 49.80068 21.11918 8.381907       87.25272 8.576488       210.6284 8.341599       95.86490 74.10356 32.13715 51.97422 22.09270 22.12934       38.99851 
1 1 1 -12 0   14 o 38.60332 18.89091 -213.7095      116.6450 41.65966       273.5743 -270.4492      128.9540 85.11877 36.76996 38.86467 19.18377 46.25411       41.47345 
1 1 1 -12 0   15 o 161.1816 14.58108 639.7065       111.1464 358.3933       197.4267 770.2366       134.4827 114.1421 33.79268 176.4334 16.12120 -62.29129      37.44114 
1 1 1 -12 0   16 o 239.3388 13.26752 1399.545       151.2197 1443.005       251.0246 1374.790       189.4541 238.4747 22.27508 235.6202 16.93122 2.854462       27.97938 
1 1 1 -12 0   17 o 197.8619 14.69734 963.2960       138.0374 997.9886       225.2980 942.4460       174.6590 196.6360 24.49510 193.8248 19.09610 2.811218       31.05916 
1 1 1 -12 0   18 o 181.7026 14.55500 814.1853       125.3826 992.9549       246.4304 751.7419       145.6435 193.8543 27.34847 173.2237 17.84120 20.63060       32.65345 
1 1 1 -12 0   19 o 174.2039 15.38888 754.5784       126.8495 1193.823       349.9775 688.1477       136.1042 202.8420 37.46884 165.3806 17.47798 37.46143       41.34482 
1 1 1 -12 0   20 o 172.6197 17.92698 753.8228       145.7949 691.7304       240.9320 789.6959       183.1301 155.3594 33.42942 174.0536 22.53587 -18.69423      40.31615 
1 1 1 -12 0   21 o 108.9793 21.36477 313.7353       107.3335 138.6749       227.1924 364.0341       121.7809 84.67416 34.84856 116.9943 22.59042 -32.32009      41.53010 
1 1 1 -12 0   22 o 102.4502 22.76347 283.1855       108.6006 438.4142       239.5388 243.0233       121.8424 118.6207 37.62939 93.54215 26.20460 25.07857       45.85469 
1 1 1 -12 0   23 o 43.46753 20.31746 -79.63446      104.7483 11.39663       442.2066 -85.04589      107.8168 89.63033 41.84564 43.78630 20.51383 45.84403       46.60338 
1 1 1 -12 0   24 o 81.60317 26.14636 190.6393       115.4188 386.6571       298.1718 156.0920       125.1773 104.4192 40.95966 75.62883 27.17996 28.79041       49.15734 
1 1 1 -12 0   25 o 89.56631 32.14439 251.3535       175.0128 50.36942       317.7972 338.8400       209.6717 79.16457 36.43826 100.1151 35.25978 -20.95054      50.70502 
1 1 1 -12 0   26 o 93.64734 34.41803 308.9209       202.2742 410.0593       552.3146 293.2546       217.3765 95.91426 45.39236 91.20624 35.19764 4.708023       57.43988 
1 1 1 -12 0   27 o 62.78748 28.44073 30.75889       183.7906 482.0005       340.5689 -154.6542      218.3085 98.49561 41.74498 55.98660 27.03480 42.50901       49.73454 
1 1 1 -12 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 1   4  o 129.0399 12.10890 405.6267       73.83006 405.6267       73.83006 0.000000       0.000000 129.0399 12.10890 ?        ?        0.000000       12.10890 
1 1 1 -12 1   5  o 44.26493 12.18911 48.81311       26.61147 -6.877201      72.63000 57.44869       28.60038 43.67641 18.90672 47.86468 12.39954 -4.188271      22.61001 
1 1 1 -12 1   6  o 224.3009 7.757319 1209.551       83.06095 1224.533       134.0990 1200.224       105.8000 224.6638 12.53457 223.0242 9.947622 1.639572       16.00220 
1 1 1 -12 1   7  o 252.9301 7.818228 1537.961       94.42681 1700.985       156.8544 1445.299       118.2561 264.8904 12.42033 244.7109 10.12983 20.17943       16.02742 
1 1 1 -12 1   8  o 191.0626 8.990171 880.1497       81.89029 815.2944       151.5338 906.9033       97.32597 181.6414 17.67281 193.6418 10.55275 -12.00040      20.58370 
1 1 1 -12 1   9  o 276.7816 8.632305 1844.367       114.0883 1728.470       196.1143 1903.653       140.2659 265.8362 15.49794 280.7331 10.46915 -14.89682      18.70266 
1 1 1 -12 1   10 o 246.4498 9.162174 1464.457       107.7652 1711.468       200.7560 1364.469       127.7276 264.2139 15.96747 237.3447 11.28869 26.86928       19.55491 
1 1 1 -12 1   11 o 179.0364 11.36631 778.1530       96.78796 830.9258       197.5523 761.4846       111.0261 180.7601 23.40892 176.6177 13.24518 4.142487       26.89632 
1 1 1 -12 1   12 o 245.8469 10.15255 1461.505       119.0729 1428.320       217.1669 1475.769       142.3838 239.5920 19.11734 246.4498 12.12155 -6.857819      22.63636 
1 1 1 -12 1   13 o 347.5298 9.575086 2916.225       158.9385 2935.064       280.3729 2907.304       192.9336 344.9447 17.05402 346.1585 11.67472 -1.213776      20.66733 
1 1 1 -12 1   14 o 67.99450 25.36195 96.45920       110.5640 -113.9027      202.1526 186.2439       132.0678 63.04630 29.03467 85.42612 28.01604 -22.37982      40.34738 
1 1 1 -12 1   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 1   16 f 341.6217 14.70346 2862.834       239.5827 3636.467       407.1158 2452.966       296.3277 378.7007 22.58871 312.8485 19.91546 65.85220       30.11437 
1 1 1 -12 1   17 o 221.3450 15.67541 1211.359       164.8081 1606.030       400.3810 1130.845       180.8391 239.6363 36.06403 212.7349 17.94782 26.90140       40.28323 
1 1 1 -12 1   18 o 158.7297 17.32423 633.3943       129.3364 586.3408       411.7895 638.5441       136.2303 134.3078 49.14972 158.9584 18.25698 -24.65059      52.43102 
1 1 1 -12 1   19 o 92.80533 23.89588 231.7447       106.6579 359.6071       421.7048 223.0065       110.2422 114.3608 47.31248 90.85925 24.72457 23.50151       53.38328 
1 1 1 -12 1   20 o 124.5719 29.02560 435.8686       169.6476 527.2115       446.5230 420.4592       183.3997 124.6853 49.73766 120.8560 31.44501 3.829315       58.84406 
1 1 1 -12 1   21 o 91.88748 30.44769 236.1279       155.8478 2.737777       279.9355 340.9576       187.6112 78.85596 35.46553 107.5823 33.18131 -28.72634      48.56751 
1 1 1 -12 1   22 o 90.43995 31.01254 234.0276       161.6664 328.4908       293.1803 192.7546       193.7923 103.2684 40.58318 85.95843 33.21715 17.30998       52.44401 
1 1 1 -12 1   23 o 60.65189 24.58595 66.33904       110.9960 -12.11546      301.6934 78.62090       119.3683 76.58297 35.34092 63.54770 25.59035 13.03527       43.63309 
1 1 1 -12 1   24 o 58.75949 24.55848 51.78893       115.2894 353.0203       316.3910 5.667630       123.8012 99.41082 41.04021 54.85659 24.19086 44.55423       47.63923 
1 1 1 -12 1   25 o 80.90220 27.76097 197.3133       129.5491 106.7933       496.8440 203.9165       134.1911 87.31739 41.80485 81.92060 28.24850 5.396790       50.45417 
1 1 1 -12 1   26 o 109.0052 27.76549 377.5300       145.0755 821.2434       518.5900 339.8567       151.1088 108.7872 48.64932 101.3729 29.44281 7.414268       56.86507 
1 1 1 -12 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 2   5  o 44.11673 16.05701 39.23123       43.86314 39.23123       43.86314 0.000000       0.000000 44.11673 16.05701 ?        ?        0.000000       16.05701 
1 1 1 -12 2   6  o 152.6857 7.822271 561.4850       56.91014 558.5338       90.61393 563.4073       73.13307 151.3770 12.63580 152.5719 10.08260 -1.194962      16.16546 
1 1 1 -12 2   7  o 218.4176 7.795917 1147.636       81.27670 1206.424       127.3693 1107.255       105.5626 223.0016 11.99080 214.0192 10.34756 8.982483       15.83829 
1 1 1 -12 2   8  o 170.3877 8.818904 700.5339       71.59470 693.9520       123.2146 703.8889       87.96899 167.9561 15.52015 170.3890 10.85535 -2.432877      18.93974 
1 1 1 -12 2   9  o 133.0807 9.994684 429.5060       63.12596 465.9640       102.1680 406.9937       80.28384 137.2197 15.86555 128.8282 13.22239 8.391510       20.65302 
1 1 1 -12 2   10 o 175.9502 10.34146 750.0084       86.60854 624.3563       157.0995 804.8724       103.8087 156.9679 21.49844 181.8822 12.00524 -24.91434      24.62334 
1 1 1 -12 2   11 o 153.4310 12.03994 574.2098       87.61031 590.5944       170.6540 568.3461       102.0907 151.1641 24.44758 152.0491 14.20864 -0.8849792     28.27666 
1 1 1 -12 2   12 o 57.13994 19.08561 77.39394       61.20926 102.5963       175.4479 73.90138       65.31290 77.85523 31.13689 56.86547 19.70288 20.98976       36.84711 
1 1 1 -12 2   13 o 254.7800 12.28357 1580.921       149.1821 1756.461       232.5515 1458.166       194.4699 265.5852 18.42931 242.6825 16.86616 22.90269       24.98213 
1 1 1 -12 2   14 o 72.45788 18.98666 135.3257       66.55231 208.8841       134.9559 111.6890       76.50137 89.31197 28.23376 66.90932 21.27019 22.40266       35.34921 
1 1 1 -12 2   15 o 201.9135 17.66267 1016.466       168.7873 0.000000       0.000000 1016.466       168.7873 ?        ?        201.9135 17.66267 0.000000       17.66267 
1 1 1 -12 2   16 o 301.7197 14.66179 2238.564       210.8613 2012.985       323.4089 2405.363       278.0995 279.2362 24.47259 309.9998 18.85336 -30.76355      30.89267 
1 1 1 -12 2   17 o 193.8009 18.01165 945.0091       164.9751 1214.727       325.7245 851.9453       191.3314 207.9945 33.92416 181.4199 22.54429 26.57468       40.73197 
1 1 1 -12 2   18 f 123.9806 19.34302 396.0297       110.9119 376.1288       195.5999 405.4607       134.6518 113.9169 33.61277 123.3941 23.68596 -9.477180      41.11986 
1 1 1 -12 2   19 o 107.0714 22.35810 305.8046       110.7504 401.8737       200.1294 263.3968       132.9665 116.7111 33.87952 97.34037 27.41252 19.37071       43.58060 
1 1 1 -12 2   20 o 100.3086 29.34324 286.3298       149.6123 330.8017       207.8501 238.5126       215.5260 105.4886 35.16862 93.80798 35.32262 11.68060       49.84495 
1 1 1 -12 2   21 o 130.3522 31.28309 500.6689       192.4684 539.9269       360.3702 485.0017       227.6573 122.4211 45.76287 124.2386 36.15486 -1.817535      58.32165 
1 1 1 -12 2   22 o 86.63649 33.50442 211.2828       197.2680 188.8439       373.9779 219.9331       232.1992 92.63157 41.37665 88.86340 35.72395 3.768173       54.66468 
1 1 1 -12 2   23 f 160.2165 29.24141 767.6382       215.7318 453.5317       406.5715 890.7315       254.5164 105.6043 45.21048 168.6328 32.75013 -63.02858      55.82615 
1 1 1 -12 2   24 o 108.5721 35.95106 417.4145       217.2885 479.3871       412.2230 393.5704       255.6952 104.0397 45.03976 102.7145 38.51668 1.325226       59.26310 
1 1 1 -12 2   25 o 51.52420 25.02104 -194.8878      193.8580 -399.9578      297.9740 -44.38812      255.2672 56.98162 28.30788 65.90109 31.08900 -8.919468      42.04595 
1 1 1 -12 2   26 o 99.82167 33.72097 380.6887       191.0379 586.6537       267.7725 167.1835       272.6299 113.8305 39.86586 76.58871 34.67093 37.24175       52.83333 
1 1 1 -12 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 3   7  o 58.21855 13.84348 85.68096       37.96483 96.68073       72.45484 81.51796       44.57373 63.31626 20.75036 56.89455 15.81709 6.421711       26.09134 
1 1 1 -12 3   8  o 259.6053 7.708968 1621.592       95.57335 1751.777       146.5158 1525.170       126.0938 268.8008 11.42714 251.0513 10.52902 17.74945       15.53833 
1 1 1 -12 3   9  o 142.4574 10.13512 492.5066       68.57672 558.7894       118.9795 459.5329       83.91814 149.8981 16.89630 136.9176 12.97482 12.98053       21.30331 
1 1 1 -12 3   10 o 143.4128 11.30867 501.2180       76.90978 499.0903       133.0944 502.2847       94.23641 140.1684 20.46430 142.8559 13.97650 -2.687454      24.78164 
1 1 1 -12 3   11 o 119.5616 12.56496 351.2267       70.75048 431.0759       103.6707 281.6174       96.79536 131.2717 16.91119 104.6951 20.06850 26.57659       26.24373 
1 1 1 -12 3   12 o 158.6923 12.84380 617.0189       96.61260 423.2583       165.6042 716.9904       118.9534 125.3608 28.30368 170.5108 14.73655 -45.14999      31.91025 
1 1 1 -12 3   13 o 74.80363 20.46080 144.8220       75.27172 31.56641       108.3117 250.6133       104.6817 57.62392 23.92110 97.69478 22.82605 -40.07086      33.06429 
1 1 1 -12 3   14 o 199.4819 12.55665 972.7761       119.1452 968.8946       217.3168 974.4442       142.4652 193.6049 23.99139 198.6769 15.11205 -5.071991      28.35420 
1 1 1 -12 3   15 o 117.1107 26.93190 370.3082       147.6401 506.4571       281.8263 318.8108       173.3274 130.1198 40.75491 107.1915 31.64462 22.92834       51.59791 
1 1 1 -12 3   16 o 64.88321 26.21562 65.58224       125.7340 129.7503       178.9566 3.026225       176.6944 79.94890 31.61775 66.52646 29.13243 13.42244       42.99279 
1 1 1 -12 3   17 o 59.53021 26.72003 -35.97667      158.0116 -199.8154      317.1154 18.13662       182.2473 73.34517 34.61609 68.34815 29.76475 4.997017       45.65319 
1 1 1 -12 3   18 o 63.28946 24.15950 83.42022       101.6544 255.1157       201.4936 24.79891       117.7361 95.77711 34.47601 57.69784 24.50295 38.07927       42.29645 
1 1 1 -12 3   19 o 121.3415 23.87180 398.2297       133.5497 287.5538       358.6075 416.0510       143.9008 103.7626 43.33615 123.2739 25.26609 -19.51130      50.16370 
1 1 1 -12 3   20 o 315.7946 14.93426 2496.977       224.8353 3187.548       348.5082 2004.657       294.2610 349.3942 20.95995 275.0103 22.57946 74.38388       30.80831 
1 1 1 -12 3   21 o 127.7836 24.84120 458.0608       146.2922 649.6544       391.2216 426.9154       157.7352 125.1574 47.48571 120.9535 27.85289 4.203865       55.05158 
1 1 1 -12 3   22 o 81.32877 28.65911 193.5696       138.5321 -158.6310      402.1236 240.9980       147.5652 76.48782 36.87398 88.84818 29.63304 -12.36035      47.30547 
1 1 1 -12 3   23 o 195.5649 17.78519 1008.290       164.4697 1326.103       289.1894 856.3483       199.9567 208.3306 29.88993 172.7978 24.92372 35.53276       38.91785 
1 1 1 -12 3   24 o 100.2138 28.06887 319.9030       139.8080 132.5443       269.6742 388.7692       163.4954 77.24133 34.76840 108.3970 30.35112 -31.15565      46.15228 
1 1 1 -12 3   25 f 91.08035 29.09737 282.8965       143.0218 166.0063       281.8862 323.4191       165.9714 76.82863 34.96642 94.75893 31.42181 -17.93030      47.01043 
1 1 1 -12 4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4   6  o 224.6490 6.942073 1213.322       74.46986 1316.562       108.5641 1121.575       102.3435 233.3816 9.751452 215.3206 9.968884 18.06107       13.94523 
1 1 1 -12 4   7  f 103.0770 9.388764 258.3546       45.76051 342.4792       71.58639 200.2277       59.50563 118.0200 12.89690 89.51554 14.39212 28.50446       19.32519 
1 1 1 -12 4   8  o 217.4171 11.13197 1147.914       115.3256 0.000000       0.000000 1147.914       115.3256 ?        ?        217.4171 11.13197 0.000000       11.13197 
1 1 1 -12 4   9  o 195.6071 8.566920 923.8208       79.92143 941.5107       118.7211 909.1602       108.0789 196.3128 12.71788 193.2004 11.75670 3.112396       17.31948 
1 1 1 -12 4   10 o 277.5921 8.545050 1859.153       113.2694 1576.906       171.8004 2076.183       150.6497 253.5410 14.23030 292.5711 10.78880 -39.03012      17.85776 
1 1 1 -12 4   11 o 128.9171 12.81494 408.6238       77.93862 665.7451       134.6073 278.9514       95.59241 163.1489 17.53220 104.1012 19.93265 59.04771       26.54597 
1 1 1 -12 4   12 o 99.11759 15.21527 246.3890       69.80054 228.2990       98.69840 264.4896       98.72733 93.22438 22.42049 100.8513 21.15258 -7.626907      30.82386 
1 1 1 -12 4   13 o 43.31528 19.37569 -28.40015      82.31855 184.8338       153.6930 -114.1781      97.47961 85.85008 30.19211 39.55062 18.81924 46.29946       35.57706 
1 1 1 -12 4   14 o 115.4018 19.06986 341.6035       101.5412 196.8170       181.7498 407.3026       122.4304 88.93270 32.63520 125.3182 21.18917 -36.38548      38.91063 
1 1 1 -12 4   15 o 192.0632 16.32609 923.6343       148.4920 838.6336       250.5281 969.6686       184.3679 172.9881 31.45042 194.6093 20.10499 -21.62120      37.32747 
1 1 1 -12 4   16 o 98.26107 30.74615 272.4727       160.4399 272.4727       160.4399 0.000000       0.000000 98.26107 30.74615 ?        ?        0.000000       30.74615 
1 1 1 -12 4   17 o 61.12799 26.88302 -1.007069      151.9214 -82.84499      269.0094 37.31685       184.0878 72.46294 33.41531 69.73598 30.14379 2.726952       45.00256 
1 1 1 -12 4   18 o 112.3388 22.48854 339.2344       116.5640 466.5688       293.3528 315.3605       127.0221 118.9953 41.72277 106.7811 25.27630 12.21419       48.78197 
1 1 1 -12 4   19 o 183.6648 15.39057 851.8766       133.9000 953.5554       223.2893 794.7805       167.3232 185.9874 25.80605 173.8499 20.52674 12.13748       32.97422 
1 1 1 -12 4   20 o 75.85861 25.46559 159.5085       108.9552 228.7585       215.7247 135.7940       126.2399 88.73664 34.83014 72.58472 27.09510 16.15192       44.12803 
1 1 1 -12 4   21 o 199.6485 16.21892 1029.549       153.4768 1282.238       266.7127 904.4529       187.6600 209.7630 27.23799 181.5033 22.07986 28.25972       35.06321 
1 1 1 -12 4   22 o 94.87925 27.92213 277.9497       135.1240 217.9654       402.5541 285.5665       143.4467 89.31708 41.07456 95.41407 28.93527 -6.096992      50.24311 
1 1 1 -12 4   23 o 129.9683 30.59085 552.4854       186.9000 527.1575       267.0750 576.7933       261.6418 111.9761 39.76162 118.6528 39.45528 -6.676674      56.01523 
1 1 1 -12 4   24 o 70.31313 30.33502 129.0752       185.7285 236.9967       266.0599 26.49935       259.3869 81.03392 35.60878 67.83245 31.79192 13.20147       47.73585 
1 1 1 -12 5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 5   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 5   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 5   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 5   7  o 171.2124 6.326756 704.8899       51.69839 639.5733       94.67838 732.6384       61.71043 161.7198 12.33873 174.3631 7.419757 -12.64320      14.39781 
1 1 1 -12 5   8  o 76.99151 12.80941 148.0403       45.49387 124.4881       60.17783 179.4552       69.50058 69.57210 17.96746 83.60989 17.92524 -14.03780      25.37999 
1 1 1 -12 5   9  f 47.61232 17.99282 42.40215       56.03728 26.03175       85.67366 54.64224       74.08155 51.74105 21.35784 54.13704 20.63436 -2.395985      29.69738 
1 1 1 -12 5   10 o 142.3843 10.52566 493.7086       71.14400 513.9510       105.2027 476.6499       96.57562 143.7685 15.55310 138.6525 14.79750 5.115982       21.46777 
1 1 1 -12 5   11 o 259.7241 8.794962 1630.193       109.0505 1663.548       158.2548 1600.035       150.4801 260.8347 12.72907 255.9715 12.33272 4.863190       17.72358 
1 1 1 -12 5   12 f 226.9456 10.24327 1251.340       110.8531 1261.961       170.2473 1243.524       146.0579 225.3828 15.90186 224.8385 13.65204 0.5442657      20.95823 
1 1 1 -12 5   13 o 93.77190 21.51493 232.9184       94.40279 398.5963       156.2289 137.6331       118.4792 120.2403 27.74146 74.78989 26.49033 45.45043       38.35787 
1 1 1 -12 5   14 o 86.74003 23.86984 203.1277       102.0900 153.7725       165.3087 233.5571       129.8006 80.91969 30.82819 92.07325 27.43576 -11.15356      41.26861 
1 1 1 -12 5   15 o 41.88458 19.95227 -123.3363      110.2005 -117.8027      150.5308 -129.7269      161.7693 51.49666 24.16219 52.96495 24.91291 -1.468292      34.70540 
1 1 1 -12 5   16 o 76.65933 34.48606 0.2141260E-02  264.8697 0.2141260E-02  264.8697 0.000000       0.000000 76.65933 34.48606 ?        ?        0.000000       34.48606 
1 1 1 -12 5   17 o 59.09395 26.27407 -12.13760      148.9992 -192.3712      254.3916 81.97934       183.8311 64.04440 30.45341 73.23552 30.83533 -9.191124      43.33852 
1 1 1 -12 5   18 o 48.30594 22.37634 -70.43583      122.6359 32.42749       159.2896 -220.1432      192.1670 64.25942 27.90717 52.53038 25.36554 11.72904       37.71234 
1 1 1 -12 5   19 o 185.7844 20.91730 928.0320       182.5654 1151.435       309.4760 808.7910       226.0974 189.4125 35.47855 164.4919 29.84930 24.92067       46.36495 
1 1 1 -12 5   20 o 143.2826 28.14509 615.1447       185.9173 945.6437       319.9078 446.5921       228.4586 159.1992 41.58421 111.8627 36.85616 47.33647       55.56638 
1 1 1 -12 5   21 o 55.49307 25.54596 -40.09138      156.2710 -167.9824      197.8363 172.1014       254.8304 54.13816 26.03953 81.12878 35.26498 -26.99062      43.83693 
1 1 1 -12 5   22 o 98.72334 35.64677 375.4729       215.6111 367.7698       349.5557 380.2034       273.9280 91.93976 40.59187 95.20921 38.61277 -3.269447      56.02361 
1 1 1 -12 5   23 o 144.1900 28.02946 671.5782       186.2613 805.9407       241.0697 472.5512       293.3996 147.6463 34.73589 97.76969 39.84623 49.87664       52.86118 
1 1 1 -12 6   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 6   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 6   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 6   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 6   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 6   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 6   7  o 144.5914 7.637931 504.6950       52.61181 0.000000       0.000000 504.6950       52.61181 ?        ?        144.5914 7.637931 0.000000       7.637931 
1 1 1 -12 6   8  o 164.8588 6.584658 654.2668       51.79395 765.8234       100.6602 614.0966       60.40358 177.0125 11.96479 159.4513 7.948730 17.56119       14.36449 
1 1 1 -12 6   9  o 125.2742 10.86974 383.7839       64.45756 365.1950       82.81327 412.3542       102.6667 121.0907 14.59900 127.8163 17.24020 -6.725571      22.59104 
1 1 1 -12 6   10 o 40.38694 17.61592 -7.585465      64.05220 12.59071       83.31149 -36.75141      100.1667 48.84366 20.67158 47.08306 21.19188 1.760605       29.60422 
1 1 1 -12 6   11 o 165.2804 11.28084 668.9693       88.60532 902.6115       128.7202 458.5654       122.1513 190.8322 14.21070 133.3022 19.76472 57.53009       24.34314 
1 1 1 -12 6   12 o 188.0243 9.974499 861.3009       89.34225 840.9532       116.0781 890.8738       139.9389 184.4665 13.25034 188.6906 15.65318 -4.224075      20.50838 
1 1 1 -12 6   13 o 94.98683 20.50734 239.1213       90.39704 128.4498       124.9724 360.5704       130.9161 73.24830 27.03052 115.1206 24.53713 -41.87233      36.50644 
1 1 1 -12 6   14 o 169.4698 14.05908 716.0499       112.8847 1054.819       160.9928 388.4084       158.3266 204.3057 16.62588 116.8791 28.57685 87.42659       33.06140 
1 1 1 -12 6   15 o 246.9606 12.46112 1506.007       146.6519 2001.737       227.5664 1153.904       191.7874 281.0333 17.01696 211.4924 19.17600 69.54088       25.63778 
1 1 1 -12 6   16 o 59.73578 28.16550 -137.0280      209.0091 -137.0280      209.0091 0.000000       0.000000 59.73578 28.16550 ?        ?        0.000000       28.16550 
1 1 1 -12 6   17 o 116.5394 30.67528 416.1980       173.2108 498.4711       264.6280 354.5292       229.1076 118.2556 39.68683 103.0409 36.80169 15.21472       54.12401 
1 1 1 -12 6   18 o 131.0077 25.67998 496.7783       155.0895 572.6967       204.6035 394.2481       237.7746 134.0727 32.30413 105.1525 37.49845 28.92026       49.49435 
1 1 1 -12 6   19 o 51.46854 24.24833 -95.85664      154.3636 -114.4957      203.2199 -70.43432      237.3353 57.90448 27.44228 64.49724 30.28649 -6.592762      40.86992 
1 1 1 -12 6   20 o 144.3599 26.85171 629.2562       178.5031 891.5142       243.9735 327.1411       261.8572 165.4461 32.00189 92.97514 37.73568 72.47095       49.47830 
1 1 1 -12 6   21 o 163.1554 24.61829 796.2443       186.0587 990.2784       251.1699 560.2979       276.9715 171.4055 31.82151 110.8600 40.34901 60.54556       51.38727 
1 1 1 -12 6   22 o 59.47038 26.58130 44.58265       154.6065 -368.7585      390.6512 121.3485       168.3522 62.41972 31.22791 67.68688 29.03727 -5.267159      42.64206 
1 1 1 -12 7   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 7   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 7   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 7   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 7   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 7   6  o 135.7803 7.758594 445.8272       50.15528 0.000000       0.000000 445.8272       50.15528 ?        ?        135.7803 7.758594 0.000000       7.758594 
1 1 1 -12 7   7  o 83.14140 9.831186 169.8436       38.32283 0.000000       0.000000 169.8436       38.32283 ?        ?        83.14140 9.831186 0.000000       9.831186 
1 1 1 -12 7   8  o 30.81940 12.25044 12.71162       26.99399 0.000000       0.000000 12.71162       26.99399 ?        ?        30.81940 12.25044 0.000000       12.25044 
1 1 1 -12 7   9  o 33.90635 12.46492 22.81832       26.53356 -101.7103      81.79991 37.46155       28.05024 35.66111 17.04340 39.63249 12.90611 -3.971382      21.37861 
1 1 1 -12 7   10 o 183.0076 9.649089 815.6412       84.12525 929.9319       112.4220 670.2088       126.8166 194.4145 12.15606 162.9305 16.50798 31.48399       20.50081 
1 1 1 -12 7   11 o 127.1037 13.80425 403.7429       82.53853 381.3572       112.5529 429.7874       121.4031 120.6009 20.23696 128.0219 20.52879 -7.421066      28.82648 
1 1 1 -12 7   12 o 116.6899 13.54184 340.7956       74.14609 245.7207       113.7583 411.0180       97.76610 94.26308 24.88219 126.9988 16.49107 -32.73577      29.85094 
1 1 1 -12 7   13 o 80.76823 18.12678 172.0083       68.27254 158.3175       79.62067 210.0317       132.6892 76.68851 21.07061 86.55471 28.06161 -9.866196      35.09166 
1 1 1 -12 7   14 o 256.9168 11.73147 1629.574       143.7162 1798.855       220.5717 1504.692       189.4504 264.8995 17.51477 243.2203 16.38815 21.67914       23.98622 
1 1 1 -12 7   15 f 125.7462 19.37712 420.7366       112.7544 182.9475       189.1243 551.8672       140.4441 82.37193 32.52621 142.9723 21.18698 -60.60036      38.81807 
1 1 1 -12 7   16 o 64.91789 29.05911 17.23033       185.5059 17.23033       185.5059 0.000000       0.000000 64.91789 29.05911 ?        ?        0.000000       29.05911 
1 1 1 -12 7   17 o 242.9914 14.64520 1509.391       169.3456 1495.987       224.0477 1527.254       258.6421 235.3302 20.10625 232.9743 23.54383 2.355804       30.96083 
1 1 1 -12 7   18 o 155.1179 23.78975 690.4673       170.8045 438.9279       236.9064 962.7613       246.4863 107.2890 37.50336 174.6301 30.64023 -67.34113      48.42857 
1 1 1 -12 7   19 o 141.8108 27.73084 628.8695       181.2706 750.2520       257.2104 509.0878       255.5088 140.1595 37.60668 109.7797 38.90002 30.37977       54.10613 
1 1 1 -12 7   20 f 60.25902 25.86577 70.22198       133.7298 143.4092       156.9899 -123.3333      255.3034 70.08211 28.91837 60.15947 29.09513 9.922634       41.02193 
1 1 1 -12 8   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 8   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 8   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 8   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 8   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 8   6  o 67.76929 13.66094 117.0296       42.73072 0.000000       0.000000 117.0296       42.73072 ?        ?        67.76929 13.66094 0.000000       13.66094 
1 1 1 -12 8   7  o 99.92509 10.15534 245.4296       47.84193 0.000000       0.000000 245.4296       47.84193 ?        ?        99.92509 10.15534 0.000000       10.15534 
1 1 1 -12 8   8  o 235.3442 7.779932 1340.188       87.41588 0.000000       0.000000 1340.188       87.41588 ?        ?        235.3442 7.779932 0.000000       7.779932 
1 1 1 -12 8   9  o 119.9177 10.05132 352.6682       57.09579 0.000000       0.000000 352.6682       57.09579 ?        ?        119.9177 10.05132 0.000000       10.05132 
1 1 1 -12 8   10 o 222.8695 8.456105 1206.044       89.93753 0.000000       0.000000 1206.044       89.93753 ?        ?        222.8695 8.456105 0.000000       8.456105 
1 1 1 -12 8   11 o 63.84875 16.05857 106.7113       48.96564 -27.74163      82.42614 180.0363       60.87039 42.65827 19.21003 83.35087 15.85441 -40.69260      24.90758 
1 1 1 -12 8   12 o 152.1489 11.67724 574.6038       84.29180 722.3445       118.3254 422.3788       120.1078 168.8702 14.80568 125.3928 20.76088 43.47749       25.49946 
1 1 1 -12 8   13 o 189.2647 10.77176 885.4464       97.06615 837.5112       135.5428 935.9087       139.0697 180.6429 15.85516 191.4452 15.32207 -10.80235      22.04885 
1 1 1 -12 8   14 o 157.8474 13.60298 631.8185       101.6545 567.5005       146.8558 690.9869       140.8542 143.1065 22.18203 161.2641 18.61037 -18.15762      28.95494 
1 1 1 -12 8   15 o 147.2441 21.64363 601.2148       147.8187 564.2087       183.5373 669.5339       249.3788 135.1251 29.25954 137.2274 37.12109 -2.102356      47.26623 
1 1 1 -12 8   16 o 168.6304 18.43184 763.2756       146.1807 720.7183       228.5133 792.7541       190.1855 146.8909 33.30910 164.9595 24.88904 -18.06862      41.58078 
1 1 1 -12 8   17 o 297.7234 14.21672 2285.927       201.7735 2143.933       272.8865 2457.192       299.6955 277.2083 20.74089 295.5750 21.35214 -18.36676      29.76741 
1 1 1 -12 8   18 f 32.24644 16.11321 -233.6679      102.6076 -222.0620      111.8273 -295.4734      258.0610 34.85634 17.32056 54.39438 26.90233 -19.53804      31.99589 
1 1 1 -12 8   19 o 77.81690 27.92324 207.6392       132.0603 -33.60542      225.9564 332.7951       162.7501 60.57837 28.77537 94.23759 31.11026 -33.65922      42.37771 
1 1 1 -12 9   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 9   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 9   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 9   5  o 79.76150 12.08886 159.5792       44.65542 0.000000       0.000000 159.5792       44.65542 ?        ?        79.76150 12.08886 0.000000       12.08886 
1 1 1 -12 9   6  o 74.20747 14.71253 141.6584       50.35208 0.000000       0.000000 141.6584       50.35208 ?        ?        74.20747 14.71253 0.000000       14.71253 
1 1 1 -12 9   7  o 128.5383 9.639365 404.9171       58.80500 0.000000       0.000000 404.9171       58.80500 ?        ?        128.5383 9.639365 0.000000       9.639365 
1 1 1 -12 9   8  o 77.24419 15.25834 154.7864       54.34879 0.000000       0.000000 154.7864       54.34879 ?        ?        77.24419 15.25834 0.000000       15.25834 
1 1 1 -12 9   9  o 97.46730 13.37999 241.0295       60.70436 0.000000       0.000000 241.0295       60.70436 ?        ?        97.46730 13.37999 0.000000       13.37999 
1 1 1 -12 9   10 o 41.86583 16.97079 24.43214       52.88564 0.000000       0.000000 24.43214       52.88564 ?        ?        41.86583 16.97079 0.000000       16.97079 
1 1 1 -12 9   11 o 36.26590 15.87589 -4.541577      52.43607 0.000000       0.000000 -4.541577      52.43607 ?        ?        36.26590 15.87589 0.000000       15.87589 
1 1 1 -12 9   12 o 36.32930 16.46236 -24.22821      61.64955 57.15621       104.4793 -67.70024      76.35979 57.29082 23.61089 36.12971 17.03184 21.16112       29.11285 
1 1 1 -12 9   13 o 120.2573 13.32449 369.4019       75.32352 635.2104       120.5400 199.1157       96.47984 155.6208 16.45019 82.59435 23.38192 73.02650       28.58886 
1 1 1 -12 9   14 o 60.47213 22.43762 94.44328       86.31982 66.18245       116.9628 128.2478       127.9213 59.42350 24.77849 68.89487 26.88581 -9.471371      36.56255 
1 1 1 -12 9   15 o 81.00199 35.65199 219.8621       267.6943 0.000000       0.000000 219.8621       267.6943 ?        ?        81.00199 35.65199 0.000000       35.65199 
1 1 1 -12 9   16 o 40.95937 18.87508 -34.52501      85.62627 -15.53168      102.0934 -79.57420      157.2319 46.44159 21.10006 50.88118 24.12098 -4.439598      32.04737 
1 1 1 -12 9   17 o 109.5705 30.36959 431.1327       164.5972 390.9800       201.4708 511.7226       285.4273 96.45544 34.50380 98.56802 39.61366 -2.112587      52.53336 
1 1 1 -12 10  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 10  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 10  3  o 43.81333 20.00243 -41.13764      93.16151 0.000000       0.000000 -41.13764      93.16151 ?        ?        43.81333 20.00243 0.000000       20.00243 
1 1 1 -12 10  4  o 145.8554 11.30873 527.9150       78.24215 0.000000       0.000000 527.9150       78.24215 ?        ?        145.8554 11.30873 0.000000       11.30873 
1 1 1 -12 10  5  o 154.4370 10.57625 589.6049       77.61797 0.000000       0.000000 589.6049       77.61797 ?        ?        154.4370 10.57625 0.000000       10.57625 
1 1 1 -12 10  6  f 36.23555 15.93179 -6.943139      53.32645 0.000000       0.000000 -6.943139      53.32645 ?        ?        36.23555 15.93179 0.000000       15.93179 
1 1 1 -12 10  7  o 91.36737 14.67349 216.3704       61.92688 0.000000       0.000000 216.3704       61.92688 ?        ?        91.36737 14.67349 0.000000       14.67349 
1 1 1 -12 10  8  o 144.7024 11.84433 524.9478       81.22333 0.000000       0.000000 524.9478       81.22333 ?        ?        144.7024 11.84433 0.000000       11.84433 
1 1 1 -12 10  9  o 188.8405 10.48157 884.6532       94.25898 0.000000       0.000000 884.6532       94.25898 ?        ?        188.8405 10.48157 0.000000       10.48157 
1 1 1 -12 10  10 o 152.5367 11.37323 582.9742       82.34349 0.000000       0.000000 582.9742       82.34349 ?        ?        152.5367 11.37323 0.000000       11.37323 
1 1 1 -12 10  11 o 154.0291 10.80778 593.5462       79.08290 0.000000       0.000000 593.5462       79.08290 ?        ?        154.0291 10.80778 0.000000       10.80778 
1 1 1 -12 10  12 o 56.04465 19.57645 83.63960       64.54427 0.000000       0.000000 83.63960       64.54427 ?        ?        56.04465 19.57645 0.000000       19.57645 
1 1 1 -12 10  13 o 96.28628 14.73811 246.2209       65.68924 271.8479       113.7942 233.4132       80.44653 92.93691 25.04787 90.71669 19.15081 2.220222       31.53014 
1 1 1 -12 10  14 o 94.38832 14.04877 236.1275       61.46712 260.3755       156.4401 231.7008       66.84287 84.24555 30.37125 92.41278 15.68964 -8.167229      34.18446 
1 1 1 -12 11  1  o 61.01184 22.88683 90.91805       90.29787 0.000000       0.000000 90.91805       90.29787 ?        ?        61.01184 22.88683 0.000000       22.88683 
1 1 1 -12 11  2  o 104.1235 13.00348 276.0747       63.32443 0.000000       0.000000 276.0747       63.32443 ?        ?        104.1235 13.00348 0.000000       13.00348 
1 1 1 -12 11  3  o 126.4597 15.47469 415.5245       91.61124 0.000000       0.000000 415.5245       91.61124 ?        ?        126.4597 15.47469 0.000000       15.47469 
1 1 1 -12 11  4  o 69.23416 19.31655 132.6333       66.35033 0.000000       0.000000 132.6333       66.35033 ?        ?        69.23416 19.31655 0.000000       19.31655 
1 1 1 -12 11  5  o 32.21050 15.05272 -45.66771      57.44868 0.000000       0.000000 -45.66771      57.44868 ?        ?        32.21050 15.05272 0.000000       15.05272 
1 1 1 -12 11  6  o 58.50441 17.61973 92.81409       53.32094 0.000000       0.000000 92.81409       53.32094 ?        ?        58.50441 17.61973 0.000000       17.61973 
1 1 1 -12 11  7  o 85.98431 20.55032 210.9832       83.32597 0.000000       0.000000 210.9832       83.32597 ?        ?        85.98431 20.55032 0.000000       20.55032 
1 1 1 -12 11  8  o 60.06303 17.90167 99.89859       55.25729 0.000000       0.000000 99.89859       55.25729 ?        ?        60.06303 17.90167 0.000000       17.90167 
1 1 1 -12 11  9  o 72.15814 22.12044 155.2370       83.53566 0.000000       0.000000 155.2370       83.53566 ?        ?        72.15814 22.12044 0.000000       22.12044 
1 1 1 -12 11  10 o 124.7316 15.86153 418.3101       92.45029 0.000000       0.000000 418.3101       92.45029 ?        ?        124.7316 15.86153 0.000000       15.86153 
1 1 1 -12 11  11 o 125.0103 16.53785 426.2323       96.41787 0.000000       0.000000 426.2323       96.41787 ?        ?        125.0103 16.53785 0.000000       16.53785 
1 1 1 -12 12  1  o 104.2961 28.10810 356.0711       143.3022 0.000000       0.000000 356.0711       143.3022 ?        ?        104.2961 28.10810 0.000000       28.10810 
1 1 1 -12 12  2  o 65.20885 20.11939 121.9405       68.96918 0.000000       0.000000 121.9405       68.96918 ?        ?        65.20885 20.11939 0.000000       20.11939 
1 1 1 -12 12  3  o 73.82108 19.20491 156.0652       68.41545 0.000000       0.000000 156.0652       68.41545 ?        ?        73.82108 19.20491 0.000000       19.20491 
1 1 1 -12 12  4  o 137.8464 12.77423 490.0950       83.22813 0.000000       0.000000 490.0950       83.22813 ?        ?        137.8464 12.77423 0.000000       12.77423 
1 1 1 -12 12  5  o 52.63797 21.01533 62.22811       79.78329 0.000000       0.000000 62.22811       79.78329 ?        ?        52.63797 21.01533 0.000000       21.01533 
1 1 1 -11 -23 1  o 93.04376 25.20561 242.9971       114.8780 242.9971       114.8780 0.000000       0.000000 93.04376 25.20561 ?        ?        0.000000       25.20561 
1 1 1 -11 -23 2  o 34.72234 16.89385 -141.9178      89.51395 -141.9178      89.51395 0.000000       0.000000 34.72234 16.89385 ?        ?        0.000000       16.89385 
1 1 1 -11 -23 3  o 195.2474 10.55184 937.3426       98.13077 927.6720       142.2688 946.1190       135.5319 191.0561 15.71422 193.6331 14.75144 -2.576981      21.55323 
1 1 1 -11 -23 4  o 37.04416 17.44001 -72.48020      79.59282 -68.86946      146.9502 -73.97922      94.68391 53.17685 24.58405 41.13983 19.25781 12.03703       31.22882 
1 1 1 -11 -23 5  o 92.28146 16.78460 223.3270       71.32445 269.3651       94.48290 162.3337       108.7514 99.58397 20.52782 76.35490 25.43845 23.22906       32.68801 
1 1 1 -11 -22 1  o 321.0661 14.60732 2557.718       223.6321 2557.718       223.6321 0.000000       0.000000 321.0661 14.60732 ?        ?        0.000000       14.60732 
1 1 1 -11 -22 2  o 91.43884 18.04560 217.4779       76.08569 247.9225       111.4274 190.8830       104.1443 95.26011 24.37033 83.85769 24.46797 11.40242       34.53397 
1 1 1 -11 -22 3  o 118.0727 14.02987 349.2326       77.65084 232.3097       109.0193 469.6319       110.6281 92.12135 24.37792 135.5883 17.47182 -43.46693      29.99246 
1 1 1 -11 -22 4  o 205.5687 10.19805 1031.760       99.91355 916.3573       145.9539 1133.531       137.0630 190.7018 16.16060 213.8536 13.47438 -23.15184      21.04100 
1 1 1 -11 -22 5  o 166.3577 13.18976 687.0838       104.0450 501.0656       186.4701 771.1786       125.3765 131.8690 30.22510 175.3123 15.10594 -43.44327      33.78973 
1 1 1 -11 -22 6  o 131.1961 13.43283 430.2883       83.06699 337.1487       116.9183 525.2215       118.0387 111.5613 22.69439 142.9473 17.64612 -31.38595      28.74753 
1 1 1 -11 -22 7  o 103.4641 16.20134 275.7412       77.51196 342.5499       107.7501 204.0891       111.5875 113.2331 20.66501 85.30176 25.44308 27.93130       32.77794 
1 1 1 -11 -22 8  f 169.0376 12.13437 709.5908       97.41143 681.2871       147.4450 731.5132       129.7638 160.9676 19.56047 169.1980 16.24088 -8.230392      25.42397 
1 1 1 -11 -22 9  o 33.47734 15.33988 -32.33324      55.45873 -185.4116      199.9759 -19.57901      57.72287 55.18836 26.44898 35.99067 16.15243 19.19769       30.99112 
1 1 1 -11 -21 1  o 87.11697 14.63757 190.8584       58.80513 301.1094       104.8148 140.2146       71.03871 107.6928 21.11266 73.54942 19.77663 34.14338       28.92852 
1 1 1 -11 -21 2  o 187.4867 9.556222 852.1665       85.37488 954.5718       114.2525 722.6872       128.4709 197.6297 12.15094 170.4638 15.94910 27.16592       20.05042 
1 1 1 -11 -21 3  o 227.8017 8.641784 1254.650       93.94646 1462.232       144.1962 1101.548       123.8365 244.5341 12.37428 212.2059 12.25844 32.32817       17.41816 
1 1 1 -11 -21 4  o 122.8521 14.29905 375.8650       82.41650 414.7574       125.5062 346.3788       109.2802 126.1413 21.58692 115.4900 20.54499 10.65131       29.80087 
1 1 1 -11 -21 5  o 98.55627 17.56688 249.4113       79.73698 309.3650       120.7348 203.0322       106.1904 107.2590 24.13026 86.84219 24.51186 20.41678       34.39623 
1 1 1 -11 -21 6  o 60.68138 22.08102 82.99300       82.94203 -11.12225      148.6892 125.5073       99.93486 59.90832 26.46087 70.83500 24.37963 -10.92668      35.97978 
1 1 1 -11 -21 7  o 133.9421 13.22830 445.5783       83.60415 538.0043       120.4448 359.6396       116.1409 145.2739 17.70712 116.5964 21.63115 28.67750       27.95440 
1 1 1 -11 -21 8  o 115.8045 16.18928 340.9516       87.18575 322.2860       116.7236 364.5083       131.1282 109.3972 23.04616 115.7596 24.46075 -6.362373      33.60735 
1 1 1 -11 -21 9  o 98.68714 24.79942 268.7546       116.8501 400.2964       197.9598 198.4150       144.7589 115.3422 33.75638 85.27788 29.34243 30.06429       44.72663 
1 1 1 -11 -21 10 o 180.2220 12.62676 805.4745       108.1065 954.4268       167.4308 698.9777       141.5730 192.4944 18.41754 164.6036 18.29899 27.89079       25.96264 
1 1 1 -11 -21 11 o 117.6243 15.71712 354.1034       86.17494 297.5828       141.4973 387.4276       108.6485 100.9598 28.22349 121.1412 19.41514 -20.18142      34.25658 
1 1 1 -11 -21 12 o 38.44019 17.60978 -39.25908      73.02803 -246.9530      177.6721 2.962406       80.10769 48.54121 23.65833 45.70378 19.81999 2.837433       30.86339 
1 1 1 -11 -20 1  o 34.45699 15.62610 -30.02759      55.67624 -45.79304      71.30958 -5.410344      89.10751 37.98837 17.40226 48.26384 20.91706 -10.27547      27.20959 
1 1 1 -11 -20 2  f 156.2073 10.85974 593.5305       80.59657 511.1024       115.9380 670.6185       112.1195 142.9638 17.31499 165.0668 14.34980 -22.10303      22.48835 
1 1 1 -11 -20 3  o 167.6957 9.979889 682.0505       79.65028 659.2029       107.4238 709.9484       118.7040 163.7656 13.85022 169.6773 14.78035 -5.911652      20.25556 
1 1 1 -11 -20 4  o 44.88659 19.68686 -13.54165      80.97206 106.9127       169.1586 -49.34500      92.22414 77.22875 30.67668 43.92657 19.99521 33.30218       36.61786 
1 1 1 -11 -20 5  o 241.9131 10.45642 1419.227       120.6490 1722.256       208.5575 1266.811       147.9108 263.7444 16.62453 227.3682 13.67012 36.37616       21.52318 
1 1 1 -11 -20 6  o 180.5331 11.07327 793.4445       95.11445 794.5479       143.6474 792.5830       126.9239 178.4907 17.04005 179.1151 14.95832 -0.6243286     22.67410 
1 1 1 -11 -20 7  o 136.6781 13.85364 461.9268       89.27660 591.1629       123.0729 318.3984       129.6999 153.5655 17.05039 109.0291 25.36198 44.53645       30.56053 
1 1 1 -11 -20 8  o 58.54215 21.39834 74.57529       78.01916 68.74743       95.87328 86.00123       134.2422 60.40971 23.35853 68.98748 27.35205 -8.577766      35.96882 
1 1 1 -11 -20 9  o 140.0714 18.12877 499.6918       118.5574 717.6223       198.3644 378.5812       147.8753 163.3030 26.30056 117.4535 26.91248 45.84952       37.62979 
1 1 1 -11 -20 10 o 112.2119 18.87696 325.9528       97.67829 440.0078       133.5801 194.8847       143.1967 128.8991 22.49400 85.36963 29.18979 43.52945       36.85138 
1 1 1 -11 -20 11 o 197.1982 13.46535 963.1149       126.1871 1054.208       181.9060 878.6201       175.1943 202.9835 18.96418 184.3697 20.20631 18.61380       27.71164 
1 1 1 -11 -20 12 o 147.1489 16.82019 550.9457       116.2071 554.6590       248.6671 549.9083       131.4428 132.8678 37.51194 145.6288 19.35811 -12.76099      42.21235 
1 1 1 -11 -20 13 o 191.6701 15.08991 925.1984       137.1624 1016.129       263.9796 891.5701       160.5341 187.5057 30.49430 185.9586 18.29344 1.547073       35.56054 
1 1 1 -11 -20 14 o 60.99366 22.52816 87.24519       86.84048 -186.7094      157.7203 206.4280       104.0292 47.91092 23.09631 85.72663 24.28317 -37.81571      33.51286 
1 1 1 -11 -19 1  o 178.8780 8.560932 771.4383       73.00019 810.6309       101.7106 729.8000       104.8360 182.7125 11.70524 173.0672 12.76004 9.645248       17.31563 
1 1 1 -11 -19 2  o 128.0840 8.991597 396.8772       54.71070 385.5003       72.55068 411.8767       83.30448 125.5884 12.23831 129.5143 13.65919 -3.925896      18.33984 
1 1 1 -11 -19 3  o 120.8781 10.53169 355.4488       60.25610 386.6229       90.27941 330.4052       80.91722 124.9203 15.44500 115.4626 15.01377 9.457687       21.53976 
1 1 1 -11 -19 4  o 222.9879 10.98517 1205.568       116.7501 1252.861       168.5365 1161.934       161.8837 225.6940 15.71766 217.3244 15.68622 8.369614       22.20591 
1 1 1 -11 -19 5  o 94.77795 17.36303 227.6468       75.77739 147.4888       112.9818 293.1894       102.1638 77.37545 25.93137 106.7978 20.75699 -29.42232      33.21579 
1 1 1 -11 -19 6  o 51.17858 19.55849 47.10322       66.67127 35.26841       82.95157 68.69949       112.0555 52.73134 21.29785 63.85434 25.09098 -11.12300      32.91133 
1 1 1 -11 -19 7  o 131.1470 17.06258 430.6082       104.4482 225.7808       155.6169 598.5288       140.9011 92.97841 30.40666 153.9558 19.58575 -60.97742      36.16858 
1 1 1 -11 -19 8  o 244.8925 11.37306 1457.504       132.7925 1599.501       206.3573 1357.143       173.4852 254.0043 17.09253 234.6191 15.55427 19.38515       23.11039 
1 1 1 -11 -19 9  o 287.2080 10.66116 2000.747       146.1353 1995.931       230.1105 2004.002       189.1821 283.7061 17.04381 286.0161 13.87647 -2.309967      21.97835 
1 1 1 -11 -19 10 o 329.7198 11.22394 2643.326       176.6709 2519.827       312.4715 2701.357       214.1938 315.5036 20.83219 332.0684 13.52011 -16.56482      24.83493 
1 1 1 -11 -19 11 f 243.3584 12.39918 1450.343       143.7851 1339.031       215.1190 1540.229       193.3106 229.6185 19.78870 248.6438 16.35261 -19.02531      25.67100 
1 1 1 -11 -19 12 o 54.23155 24.27608 -31.85351      129.4715 32.69499       229.2909 -62.06785      156.8738 76.01394 33.23909 57.16138 26.04235 18.85255       42.22607 
1 1 1 -11 -19 13 f 274.0504 13.27597 1853.016       173.4248 2102.619       259.4901 1651.532       233.1400 287.3823 18.99303 254.3058 19.32032 33.07645       27.09262 
1 1 1 -11 -19 14 o 164.8047 14.43147 678.1885       112.5611 747.3306       183.6560 636.5906       142.4522 167.4582 23.59296 157.0041 19.38954 10.45415       30.53820 
1 1 1 -11 -19 15 o 76.20351 19.80347 155.2842       72.79846 -79.12884      211.6023 186.7540       77.53120 64.02112 29.56304 83.62505 19.71591 -19.60394      35.53436 
1 1 1 -11 -19 16 o 36.15879 17.57300 -147.4613      96.12152 172.6081       216.7986 -225.7731      107.2378 84.02225 34.24877 34.76304 17.21974 49.25922       38.33403 
1 1 1 -11 -18 1  o 172.1392 8.347325 713.9673       68.49185 898.5552       94.38119 508.6097       99.54955 192.7918 10.27686 143.9125 14.67388 48.87927       17.91471 
1 1 1 -11 -18 2  o 236.1935 9.285154 1344.870       104.6450 1283.041       177.5162 1377.799       129.5477 228.6784 16.34473 238.5695 11.39103 -9.891098      19.92249 
1 1 1 -11 -18 3  o 226.7736 9.601284 1240.575       103.8595 1394.312       139.2989 1048.135       155.8498 239.7884 12.19098 206.7398 15.88971 33.04858       20.02755 
1 1 1 -11 -18 4  o 78.44914 12.58198 152.5835       45.59483 121.7040       70.19974 175.1151       59.96476 69.40948 20.04080 83.49426 15.59547 -14.08477      25.39394 
1 1 1 -11 -18 5  o 52.84132 19.13201 58.08189       62.16213 -13.67655      106.8022 94.84434       76.44447 52.08540 22.73236 63.47031 21.33080 -11.38491      31.17312 
1 1 1 -11 -18 6  o 46.38380 18.10325 33.53821       58.00338 -26.90427      89.55854 77.21031       76.12686 45.92683 20.39770 59.51432 21.21837 -13.58750      29.43272 
1 1 1 -11 -18 7  o 181.6867 11.15718 801.1133       96.44648 1170.221       175.9293 642.5201       115.3197 217.7246 17.03696 161.5836 15.10284 56.14096       22.76739 
1 1 1 -11 -18 8  o 120.3893 11.80328 354.4777       67.06368 389.5509       117.1598 337.3854       81.78838 123.6426 20.54033 116.6067 15.01943 7.035873       25.44580 
1 1 1 -11 -18 9  o 66.43046 22.19459 106.4398       82.77413 155.2140       178.1377 93.00888       93.47865 84.67176 32.06164 65.02637 23.47257 19.64539       39.73550 
1 1 1 -11 -18 10 o 177.2133 12.44816 766.9736       104.7945 1109.773       156.5912 488.9169       141.0308 212.1566 15.54634 137.9173 22.13763 74.23927       27.05112 
1 1 1 -11 -18 11 o 56.01840 21.78158 53.94233       83.71859 -169.5745      208.9764 96.67245       91.37115 60.66607 28.46590 65.28541 23.24918 -4.619343      36.75366 
1 1 1 -11 -18 12 o 54.94860 21.04656 55.62920       77.31722 7.850147       134.5063 79.20700       94.48771 60.00710 25.85140 62.35471 23.40733 -2.347610      34.87403 
1 1 1 -11 -18 13 o 40.17852 18.95007 -95.43099      94.74587 -138.9905      137.4793 -56.02832      130.7552 47.79584 22.62786 52.64678 23.90339 -4.850937      32.91492 
1 1 1 -11 -18 14 o 100.5352 22.07338 268.3035       103.1824 378.1237       226.8510 239.6567       115.8611 113.1129 36.69299 93.91703 25.25795 19.19582       44.54593 
1 1 1 -11 -18 15 o 102.7353 14.95979 266.6034       71.32085 505.3306       134.5203 173.2587       84.11657 139.1779 20.85841 80.60381 21.45199 58.57406       29.92091 
1 1 1 -11 -18 16 o 35.68620 16.02977 -22.16414      56.98720 224.2507       125.9901 -85.54478      63.89714 89.86050 27.08904 31.08934 14.91305 58.77115       30.92273 
1 1 1 -11 -18 17 o 67.62043 23.04126 117.3391       89.21007 190.5179       136.4860 62.75715       117.8745 83.16091 28.49584 61.96605 25.25550 21.19487       38.07693 
1 1 1 -11 -18 18 o 90.58642 19.99752 221.2056       84.28553 273.5124       327.4494 217.4941       87.22457 97.13301 41.03913 89.44270 20.79346 7.690308       46.00628 
1 1 1 -11 -17 1  o 68.54436 10.89511 116.0152       34.51006 151.9189       47.83305 77.03873       49.83785 78.17271 13.27283 56.00964 17.06968 22.16306       21.62271 
1 1 1 -11 -17 2  o 138.2491 10.14213 462.8269       66.56825 519.8585       95.65442 409.2656       92.69859 145.7847 13.89187 128.8509 15.34936 16.93382       20.70234 
1 1 1 -11 -17 3  o 254.0570 9.533220 1555.795       115.5867 1653.848       147.4963 1399.745       186.0724 261.3734 11.83421 239.0108 16.38289 22.36269       20.21009 
1 1 1 -11 -17 4  o 102.9065 10.84540 258.2007       52.55622 219.1189       78.43777 290.0412       70.79922 93.02814 18.28834 108.4794 13.97563 -15.45126      23.01699 
1 1 1 -11 -17 5  o 133.2942 11.59410 432.3421       73.15077 425.7817       117.8136 436.4581       93.31793 130.2154 19.52577 133.1761 14.91227 -2.960693      24.56892 
1 1 1 -11 -17 6  o 102.0398 13.78693 256.9739       65.53905 157.7596       100.9897 329.1613       86.14313 79.13301 24.33351 115.1340 16.08847 -36.00095      29.17119 
1 1 1 -11 -17 7  o 121.7356 11.44273 360.9737       65.81622 360.3079       111.2591 361.3322       81.63127 119.3652 20.21706 121.1534 14.37302 -1.788239      24.80551 
1 1 1 -11 -17 8  f 180.2635 10.52853 786.3914       90.34193 1031.099       143.7819 626.7612       116.1282 205.3741 14.74174 159.6890 15.40174 45.68513       21.31977 
1 1 1 -11 -17 9  o 94.44363 13.50652 220.7292       59.25071 260.2486       115.2072 206.5171       69.08800 99.91692 24.34462 90.55344 16.56878 9.363480       29.44801 
1 1 1 -11 -17 10 o 284.6714 12.47444 1969.499       169.3625 2083.912       250.9031 1873.732       229.5486 290.2054 18.17516 275.4599 17.52124 14.74545       25.24540 
1 1 1 -11 -17 11 o 179.0720 13.05195 783.6640       110.9734 812.0085       171.9162 763.4167       145.3002 179.5631 20.38626 175.1879 17.58577 4.375244       26.92320 
1 1 1 -11 -17 12 o 43.94640 17.45714 26.91207       54.78262 197.6112       130.6744 -9.486053      60.34125 87.35892 27.80245 39.10907 17.07753 48.24984       32.62849 
1 1 1 -11 -17 13 o 153.7891 13.53179 581.1419       98.47872 1107.501       242.2558 476.9435       107.7863 206.9311 24.99293 138.2170 16.64623 68.71414       30.02905 
1 1 1 -11 -17 14 o 266.5168 12.34253 1732.433       156.8398 1896.697       234.2440 1598.952       211.1579 275.9518 17.85104 253.4641 17.53344 22.48761       25.02161 
1 1 1 -11 -17 15 o 96.05242 19.71229 239.6420       87.48552 258.4166       131.5418 224.7505       117.1513 97.49544 27.19695 91.42191 25.72538 6.073532       37.43620 
1 1 1 -11 -17 16 f 129.2729 15.05613 418.5568       91.31315 492.9076       221.7603 403.3768       100.2021 129.2317 35.02521 126.0804 17.06083 3.151306       38.95943 
1 1 1 -11 -17 17 f 64.71539 20.12841 107.8299       68.87215 230.3458       180.9032 87.06200       74.48107 91.80816 32.71140 60.32080 21.03215 31.48736       38.88942 
1 1 1 -11 -17 18 o 48.95625 21.58785 -11.91290      98.58053 15.91954       185.2479 -22.90858      116.4364 67.70680 29.73392 51.85902 23.13109 15.84779       37.67165 
1 1 1 -11 -17 19 o 69.84007 21.02400 130.4808       75.92812 167.5008       202.4251 124.4195       81.90846 83.11980 33.37579 68.56590 22.03171 14.55390       39.99175 
1 1 1 -11 -17 20 o 43.43558 18.87653 0.1923869      72.98211 511.6535       364.8195 -21.12957      74.48782 114.6353 45.20329 41.00911 18.38107 73.62616       48.79755 
1 1 1 -11 -16 1  o 227.1399 10.81320 1245.618       117.0866 1278.456       166.6306 1213.591       164.5598 228.9978 15.30792 223.0237 15.53053 5.974167       21.80665 
1 1 1 -11 -16 2  o 243.0288 9.192230 1421.874       106.6113 1538.092       136.0697 1237.103       171.5705 252.3315 11.30802 225.0087 16.05453 27.32278       19.63719 
1 1 1 -11 -16 3  o 117.4333 11.61819 335.8317       64.37462 281.5124       99.18783 375.3643       84.61730 105.3681 20.42731 123.5978 14.60147 -18.22976      25.10933 
1 1 1 -11 -16 4  o 54.76700 14.07919 75.43637       37.06587 110.1958       58.15765 51.65901       48.10081 66.05875 17.95058 48.52247 16.90300 17.53628       24.65633 
1 1 1 -11 -16 5  o 389.8675 9.679874 3658.090       180.4243 3831.863       395.9258 3612.546       202.6939 393.5456 21.12050 386.9113 10.96881 6.634369       23.79895 
1 1 1 -11 -16 6  o 146.9348 11.63870 524.4896       81.09200 526.9434       148.3562 523.4441       96.83880 144.3434 22.20895 146.2637 14.02001 -1.920319      26.26401 
1 1 1 -11 -16 7  o 50.87650 16.06468 62.37026       43.70327 -61.31218      86.73502 104.4566       50.59543 41.41233 19.05227 64.23048 16.41641 -22.81815      25.14931 
1 1 1 -11 -16 8  o 86.54157 14.50355 186.6547       57.88651 373.7327       154.7799 156.2330       62.41592 119.3265 27.67006 78.49355 17.11585 40.83298       32.53590 
1 1 1 -11 -16 9  o 295.1971 11.93066 2109.659       168.0309 2505.208       246.8000 1767.875       229.4145 320.0719 16.18081 267.9981 18.00983 52.07382       24.21100 
1 1 1 -11 -16 10 f 96.90051 17.85385 236.9452       79.66486 327.6952       174.5868 213.0808       89.52885 111.0296 31.46076 91.09060 20.98951 19.93896       37.81982 
1 1 1 -11 -16 11 o 33.28162 15.54803 -57.31261      61.20692 113.7370       101.7064 -154.4344      76.63828 70.35963 24.57437 30.65637 15.06518 39.70326       28.82463 
1 1 1 -11 -16 12 o 213.3302 12.60441 1107.719       127.9804 1000.722       214.9734 1166.460       159.2825 198.5914 23.07097 217.9932 15.38205 -19.40179      27.72864 
1 1 1 -11 -16 13 o 59.53639 17.27654 89.22849       52.04969 255.1258       119.8480 50.66411       57.78358 98.33424 25.33603 50.05390 18.39585 48.28033       31.31009 
1 1 1 -11 -16 14 o 43.51764 17.92857 16.77913       60.21466 -4.234497      189.3347 19.14372       63.51224 69.08614 30.20720 44.91243 18.44852 24.17371       35.39524 
1 1 1 -11 -16 15 o 112.8395 14.11668 315.7292       74.49394 386.3280       134.2038 284.2897       89.55790 121.4345 23.96736 105.6827 18.39295 15.75182       30.21150 
1 1 1 -11 -16 16 o 262.6472 11.00270 1676.455       137.8534 1604.322       239.3305 1712.269       168.6378 252.2266 20.01108 264.4123 13.38381 -12.18568      24.07425 
1 1 1 -11 -16 17 o 112.3391 22.85471 333.9209       118.5658 124.0700       305.1016 371.2495       128.6797 91.65460 39.19975 118.2627 23.58662 -26.60808      45.74876 
1 1 1 -11 -16 18 o 57.30994 20.80305 73.30420       73.55711 22.55130       317.4773 76.18324       75.61465 84.60654 37.93298 58.22305 21.09804 26.38349       43.40551 
1 1 1 -11 -16 19 o 110.8395 21.78127 327.1960       111.3033 375.2400       207.5115 307.7913       131.8788 111.6536 34.97119 105.2312 26.29080 6.422386       43.75146 
1 1 1 -11 -16 20 o 62.94412 21.09319 100.4122       74.75540 329.1939       218.7837 70.17144       79.54276 103.5775 36.05117 57.13288 21.47032 46.44460       41.96024 
1 1 1 -11 -16 21 o 52.69310 21.40253 42.71683       84.30832 253.8617       232.8427 10.85810       90.44540 92.76669 36.25231 49.32158 21.22275 43.44511       42.00756 
1 1 1 -11 -15 1  o 79.55544 12.39506 156.2389       45.60848 184.6518       60.05657 117.5251       70.10278 86.07346 15.14717 68.60882 20.09031 17.46465       25.16064 
1 1 1 -11 -15 2  o 179.5930 9.260433 777.0989       79.24284 899.2115       110.7017 648.7742       113.4826 192.7199 12.07557 163.0237 14.71866 29.69618       19.03834 
1 1 1 -11 -15 3  f 193.7761 8.781064 903.7516       81.13826 893.3679       120.7253 912.3060       109.5768 191.8261 13.24515 194.1511 11.86172 -2.325012      17.78017 
1 1 1 -11 -15 4  o 51.98127 13.82174 67.68079       34.93979 119.9573       55.16076 32.65263       45.15290 68.86763 16.88546 42.80082 16.15636 26.06681       23.36978 
1 1 1 -11 -15 5  o 270.1580 9.457947 1757.048       121.9699 2074.063       224.3616 1624.056       145.3191 291.6415 16.15440 259.2169 11.75663 32.42459       19.97957 
1 1 1 -11 -15 6  o 196.0318 10.33031 927.6973       96.47448 1218.782       154.1752 740.3725       123.6809 223.7799 14.48858 174.0620 15.00891 49.71794       20.86112 
1 1 1 -11 -15 7  o 139.8747 11.68401 475.3578       77.42075 574.8574       151.4909 440.1835       90.07171 151.2632 21.55745 134.0186 14.27727 17.24455       25.85661 
1 1 1 -11 -15 8  o 172.2095 10.21366 716.7651       83.71280 990.6779       138.1460 557.8168       105.2349 201.5552 14.43177 150.8728 14.77888 50.68237       20.65651 
1 1 1 -11 -15 9  o 75.26556 19.75121 144.4517       71.95148 279.4551       162.1436 111.3490       80.28955 103.3588 30.63073 67.70322 21.81833 35.65561       37.60693 
1 1 1 -11 -15 10 o 150.6557 11.23764 550.8553       80.35803 659.4675       130.0844 483.8333       102.1867 163.4758 16.88701 140.1536 15.50964 23.32222       22.92859 
1 1 1 -11 -15 11 o 289.0687 8.655930 2011.031       119.4906 2336.030       185.1875 1779.205       156.4055 310.4591 12.50225 270.9980 12.10249 39.46112       17.40047 
1 1 1 -11 -15 12 o 160.8902 11.51271 628.4828       87.97018 711.4066       145.7749 580.9883       110.3228 169.3377 18.29632 153.7647 15.20611 15.57303       23.79036 
1 1 1 -11 -15 13 o 122.1622 16.34785 370.8965       93.08409 326.7487       177.4077 387.6674       109.3443 110.5716 31.83879 124.1395 19.02957 -13.56786      37.09223 
1 1 1 -11 -15 14 o 112.8851 15.72551 317.3901       82.56841 401.1326       114.8873 227.9263       118.7470 125.8538 19.74300 93.17222 25.78403 32.68155       32.47465 
1 1 1 -11 -15 15 o 272.3997 10.31793 1795.829       134.1288 2006.718       216.3005 1664.071       170.9693 285.6032 15.90394 260.9530 13.75255 24.65021       21.02541 
1 1 1 -11 -15 16 o 206.9536 12.63455 1045.737       124.4132 1256.090       219.5323 946.2137       151.0033 223.0585 20.82670 195.4529 16.30828 27.60555       26.45206 
1 1 1 -11 -15 17 o 222.2969 12.90924 1208.272       136.6060 1341.916       234.7266 1139.824       167.9850 229.8369 21.61537 214.3661 16.51832 15.47079       27.20440 
1 1 1 -11 -15 18 o 68.73502 26.22727 96.85558       119.7677 489.1949       318.5907 32.28341       129.2483 126.5841 43.53108 61.49733 25.87203 65.08681       50.63908 
1 1 1 -11 -15 19 o 216.8959 14.88944 1168.700       153.4601 1818.042       361.7701 1026.220       169.4620 257.1472 29.98902 201.5761 17.76591 55.57108       34.85640 
1 1 1 -11 -15 20 o 60.61227 22.17684 82.99662       83.83047 136.8722       222.8092 74.11241       90.47878 83.54342 34.45993 59.92508 22.81267 23.61834       41.32681 
1 1 1 -11 -15 21 o 58.70289 22.21177 73.08279       85.45954 271.6017       232.1633 41.96777       91.91315 97.18597 36.64621 54.59135 22.28200 42.59462       42.88860 
1 1 1 -11 -15 22 o 49.77460 21.15252 18.05202       87.84227 252.9101       241.6559 -17.70528      94.29247 93.20283 36.77822 46.77389 20.84235 46.42894       42.27341 
1 1 1 -11 -15 23 o 69.08221 24.88432 124.5015       104.9949 100.4022       691.6440 125.0700       106.2260 97.68303 47.39571 69.26504 25.01930 28.41799       53.59402 
1 1 1 -11 -14 1  o 147.1172 9.659592 522.3260       67.56492 495.2575       97.04512 547.7897       94.12426 142.3883 14.45593 150.0640 13.25564 -7.675674      19.61341 
1 1 1 -11 -14 2  o 62.50024 13.88173 98.07011       40.40029 171.4849       77.20188 70.38342       47.41016 82.16013 19.87324 53.89247 16.69016 28.26766       25.95201 
1 1 1 -11 -14 3  o 305.9897 7.730172 2247.473       112.9943 2442.441       164.7243 2074.200       155.2889 318.3665 10.83816 293.2999 11.09440 25.06662       15.50972 
1 1 1 -11 -14 4  o 493.9476 9.675210 5865.026       228.4808 6050.281       252.2870 5020.056       538.8047 501.4318 10.52385 449.1746 25.19135 52.25717       27.30120 
1 1 1 -11 -14 5  f 110.2120 10.89216 295.2378       56.64233 366.5198       80.62703 225.7748       79.59171 122.3212 14.04132 94.71545 18.23842 27.60576       23.01736 
1 1 1 -11 -14 6  f 391.4142 14.32258 3713.983       267.5675 4153.935       381.9298 3289.938       374.9615 411.5882 19.46456 365.1282 21.57612 46.45999       29.05853 
1 1 1 -11 -14 7  o 212.6047 10.57963 1090.969       107.1976 1271.014       159.6476 943.1444       144.6589 228.5424 14.68903 196.5198 15.52278 32.02261       21.37111 
1 1 1 -11 -14 8  o 115.2975 14.06072 326.5071       75.90484 127.5477       150.9017 393.8985       87.82420 79.25340 29.61584 126.6291 14.78472 -47.37567      33.10115 
1 1 1 -11 -14 9  o 260.0618 11.19346 1633.756       138.8453 1972.365       206.3787 1353.767       187.6663 284.5695 15.22481 235.1085 16.80674 49.46092       22.67733 
1 1 1 -11 -14 10 f 150.2756 11.08697 547.5535       79.09348 576.3450       129.4701 530.4109       99.90253 152.4655 18.11565 147.1818 14.38084 5.283676       23.12974 
1 1 1 -11 -14 11 o 190.8014 11.20880 881.5253       101.7962 1353.016       188.1741 686.4597       121.0357 234.8044 16.87530 167.3118 15.30057 67.49265       22.77901 
1 1 1 -11 -14 12 o 204.3946 10.89817 1010.789       106.1105 1437.404       164.7039 708.0746       138.7401 242.8825 14.24657 169.2755 17.39057 73.60703       22.48103 
1 1 1 -11 -14 13 f 100.4019 15.67223 251.1544       72.77178 217.5089       153.6792 260.8794       82.62222 92.77513 30.20868 101.8713 17.60062 -9.096176      34.96207 
1 1 1 -11 -14 14 o 138.9220 12.02062 470.1968       79.05260 470.3954       123.6022 470.0592       102.8352 136.9322 19.42496 137.9471 15.88220 -1.014938      25.09130 
1 1 1 -11 -14 15 o 290.2908 13.10627 2049.662       181.4258 1880.101       262.4797 2204.780       251.0515 274.8046 20.11792 299.0418 17.63825 -24.23721      26.75516 
1 1 1 -11 -14 16 o 169.1412 13.87066 701.6661       111.1799 1092.056       191.3769 502.7879       136.5946 208.9829 19.37508 140.5891 20.96204 68.39372       28.54472 
1 1 1 -11 -14 17 o 70.54932 20.00926 127.6456       70.58768 27.19389       113.9629 190.1713       89.91122 58.32544 24.39976 85.38347 21.91648 -27.05803      32.79757 
1 1 1 -11 -14 18 o 306.1760 14.23484 2298.498       207.7983 2391.950       323.1455 2232.608       271.3390 306.9753 22.16774 298.7794 19.09556 8.195923       29.25832 
1 1 1 -11 -14 19 o 184.0542 17.42617 848.0151       151.5139 1033.736       362.3728 808.6686       166.7933 185.6244 41.83749 178.5047 19.88133 7.119766       46.32109 
1 1 1 -11 -14 20 o 115.9331 18.49477 345.0854       99.06762 501.2663       230.3133 309.6279       109.7385 129.9774 35.88527 108.2418 21.95761 21.73557       42.07005 
1 1 1 -11 -14 21 o 60.45133 22.48801 79.96931       86.81324 -117.1089      233.4628 111.5925       93.51925 65.77232 30.60597 67.33064 23.56116 -1.558319      38.62453 
1 1 1 -11 -14 22 o 122.5858 19.76205 393.5596       111.8818 905.8651       389.4962 347.4872       116.8044 157.9865 47.63038 113.7406 22.27742 44.24593       52.58266 
1 1 1 -11 -14 23 o 112.1033 19.54432 333.4593       100.9421 391.1098       409.9588 329.7386       104.1486 107.0541 45.60235 111.0042 20.37545 -3.950050      49.94730 
1 1 1 -11 -14 24 o 70.39907 23.66199 134.5840       94.06619 271.0732       709.6885 132.1432       94.90353 101.8752 49.08109 69.93790 23.76624 31.93731       54.53244 
1 1 1 -11 -13 1  o 189.8644 8.976887 867.1093       81.25422 855.3248       129.6145 874.7389       104.2915 187.6169 14.56416 190.3202 11.51576 -2.703323      18.56684 
1 1 1 -11 -13 2  o 203.2336 9.002016 993.4230       87.24984 993.8759       142.8003 993.1533       110.2145 202.2173 14.87484 202.8305 11.41175 -0.6132355     18.74803 
1 1 1 -11 -13 3  o 269.1280 11.62515 1747.217       149.2246 1808.775       212.4034 1687.220       209.6935 272.6384 16.37085 263.1750 16.75300 9.463409       23.42365 
1 1 1 -11 -13 4  o 238.2334 11.08722 1368.942       125.9334 1348.908       180.0149 1388.145       176.2386 235.3184 16.09785 238.8882 15.51507 -3.569855      22.35751 
1 1 1 -11 -13 5  o 107.2383 11.48068 280.0880       57.94585 413.0713       88.39351 179.8743       76.73352 129.8936 14.47983 84.19865 19.45326 45.69498       24.25066 
1 1 1 -11 -13 6  o 210.8250 10.48875 1071.993       105.3873 1156.392       154.9564 999.3555       143.7537 218.0133 14.95745 202.6018 14.94637 15.41150       21.14519 
1 1 1 -11 -13 7  o 69.54240 18.63262 122.0985       63.19548 119.1375       129.4298 123.0254       72.41393 75.38053 27.55984 70.11484 20.38709 5.265694       34.28087 
1 1 1 -11 -13 8  o 312.0270 12.38910 2353.199       184.4490 2654.819       267.0148 2077.910       255.0939 329.8895 16.98727 291.2255 18.41586 38.66400       25.05417 
1 1 1 -11 -13 9  o 231.2302 11.15483 1291.382       122.9512 1394.057       182.9296 1206.780       166.0516 238.9660 16.10585 222.3747 15.72018 16.59129       22.50606 
1 1 1 -11 -13 10 o 97.00637 13.69916 232.0891       61.76712 449.0720       161.0438 194.6645       66.88204 131.9045 26.45868 88.08295 16.48800 43.82155       31.17556 
1 1 1 -11 -13 11 o 204.9738 10.72035 1015.231       104.6896 1130.829       169.2193 943.5513       133.2510 214.7998 16.60701 196.7629 14.26188 18.03694       21.89050 
1 1 1 -11 -13 12 o 120.1507 13.56735 354.0963       76.57298 414.9349       105.8387 287.2743       110.9212 129.1559 17.59770 105.7476 22.62398 23.40828       28.66223 
1 1 1 -11 -13 13 o 303.3922 12.26119 2229.777       177.4802 0.000000       0.000000 2229.777       177.4802 ?        ?        303.3922 12.26119 0.000000       12.26119 
1 1 1 -11 -13 14 o 82.31861 19.04544 173.0605       73.46539 211.1156       98.15646 124.5913       110.7759 90.40218 22.73596 73.49721 25.64824 16.90497       34.27472 
1 1 1 -11 -13 15 o 212.5193 11.77937 1095.151       119.2139 1017.802       176.0377 1160.672       162.0209 202.8002 18.35489 217.6374 15.67649 -14.83716      24.13824 
1 1 1 -11 -13 16 o 256.3050 11.60184 1592.113       141.7962 1910.714       210.1835 1325.990       192.0953 279.2410 15.80843 231.8203 17.46067 47.42072       23.55379 
1 1 1 -11 -13 17 o 107.5310 14.89956 287.5555       74.54204 234.5186       124.3289 317.3197       93.13871 94.28258 26.49164 112.1362 17.98049 -17.85362      32.01726 
1 1 1 -11 -13 18 o 74.00820 22.87139 139.3611       89.08450 -22.89176      125.3067 305.1725       126.6734 55.03251 24.30001 107.3929 25.12149 -52.36040      34.95111 
1 1 1 -11 -13 19 o 37.44997 17.51511 -71.14854      78.03567 -566.3975      355.4418 -46.06857      79.98717 66.56647 32.65787 40.64980 18.54900 25.91668       37.55798 
1 1 1 -11 -13 20 o 145.3792 14.88670 524.4636       102.0091 814.1566       239.4088 460.2030       112.7569 173.1482 30.00785 134.9777 17.91518 38.17055       34.94888 
1 1 1 -11 -13 21 o 92.65842 27.15597 234.8403       128.0357 152.9024       378.4691 245.4297       136.0578 98.47137 42.88790 94.45789 28.07531 4.013474       51.26007 
1 1 1 -11 -13 22 o 46.34530 19.77454 8.368167       77.31152 -193.2429      390.2024 16.60605       78.87519 80.29650 38.04608 47.98330 20.20026 32.31321       43.07615 
1 1 1 -11 -13 23 o 86.16497 22.54012 201.9955       93.89909 598.7268       400.5713 178.9278       96.59038 126.9224 48.07405 81.02164 23.54197 45.90076       53.52886 
1 1 1 -11 -13 24 o 54.71959 24.84234 -38.50046      141.1912 1126.315       588.4229 -109.6623      145.4402 146.3557 57.50071 50.13879 23.59557 96.21692       62.15370 
1 1 1 -11 -13 25 o 161.0911 17.55294 677.0358       133.0014 1118.926       473.4474 639.1755       138.5819 152.4055 53.03398 155.3540 19.05717 -2.948532      56.35405 
1 1 1 -11 -12 1  o 196.3223 9.152973 926.6863       85.67283 1060.138       139.1824 845.2769       108.7077 209.2451 13.99343 187.0448 12.22340 22.20030       18.58031 
1 1 1 -11 -12 2  f 284.2303 11.95419 1947.066       162.0796 2013.709       230.1858 1881.536       228.2567 287.9312 16.79465 278.1678 17.24845 9.763489       24.07425 
1 1 1 -11 -12 3  o 419.3928 9.483556 4222.576       190.1518 4324.751       213.6978 3834.058       416.7084 424.2244 10.53649 395.3238 22.13651 28.90060       24.51617 
1 1 1 -11 -12 4  o 211.6564 9.737973 1078.211       98.27497 1025.245       128.6215 1152.503       152.3309 205.8004 13.14117 217.9167 14.70755 -12.11633      19.72314 
1 1 1 -11 -12 5  o 123.3031 11.70658 369.2787       68.18328 623.2327       123.0804 256.8367       81.89845 159.5427 16.36814 101.4593 17.51700 58.08337       23.97418 
1 1 1 -11 -12 6  o 110.1297 11.40992 295.0744       59.20592 660.7398       127.5402 194.6304       66.84473 164.2390 16.46466 88.20806 16.45592 76.03091       23.27837 
1 1 1 -11 -12 7  f 175.5228 9.785730 742.8003       81.79230 753.9494       134.7413 736.2948       102.9252 175.5444 16.23883 174.2935 12.43351 1.250839       20.45218 
1 1 1 -11 -12 8  o 104.1908 11.59809 264.7272       56.79478 304.6552       99.00732 245.1442       69.33752 110.1153 19.52129 99.52942 15.04037 10.58591       24.64332 
1 1 1 -11 -12 9  o 144.7729 11.26720 507.8898       77.37150 524.6417       120.6044 496.1732       100.8627 145.7583 17.66721 142.3278 15.05061 3.430481       23.20886 
1 1 1 -11 -12 10 o 203.6354 10.81058 1001.378       104.8701 996.7410       177.1850 1003.879       130.1062 201.1823 18.63337 203.3281 13.45996 -2.145859      22.98636 
1 1 1 -11 -12 11 o 116.3744 12.38688 330.6166       67.85944 358.7067       113.3077 314.9066       84.73667 119.2575 20.61881 112.7110 16.18922 6.546455       26.21500 
1 1 1 -11 -12 12 o 158.8208 10.97228 610.8425       82.80089 722.1594       125.0905 524.0342       110.4649 171.7438 15.39797 145.9131 16.10264 25.83072       22.27987 
1 1 1 -11 -12 13 f 253.3274 11.21950 1551.343       135.5456 1586.264       186.3349 1512.098       197.5360 254.9398 15.35915 248.4109 16.73045 6.528900       22.71148 
1 1 1 -11 -12 14 o 57.32586 17.94359 80.08902       54.64008 -1.317943      91.70488 124.8959       68.03526 49.81322 21.40128 70.18340 19.55248 -20.37017      28.98818 
1 1 1 -11 -12 15 o 107.0978 15.52406 284.9687       77.17197 534.2728       165.7730 215.9921       87.19669 144.1283 24.96151 91.81969 20.39408 52.30864       32.23346 
1 1 1 -11 -12 16 o 269.5121 10.64694 1755.217       136.9166 1720.305       234.2110 1773.342       168.7554 263.8899 18.68503 270.1583 13.10474 -6.268463      22.82246 
1 1 1 -11 -12 17 o 71.43478 21.77676 128.2393       81.10641 199.6045       112.7929 51.82989       116.7111 87.79202 25.41965 62.59406 25.26933 25.19796       35.84268 
1 1 1 -11 -12 18 o 123.4435 15.53452 378.5107       89.65439 644.3533       204.8601 315.5330       99.70998 155.9982 28.51873 111.3478 19.43723 44.65049       34.51266 
1 1 1 -11 -12 19 o 136.9653 16.25063 467.3044       104.3402 231.6658       153.1252 671.5461       142.5594 93.82626 30.12123 163.6093 18.55262 -69.78304      35.37638 
1 1 1 -11 -12 20 o 156.0017 15.23899 603.0454       112.2087 519.5328       170.2797 667.1436       149.1797 139.8905 26.42875 162.3581 19.61602 -22.46767      32.91302 
1 1 1 -11 -12 21 o 156.6390 16.09652 611.9588       118.8289 601.2339       388.3322 613.0668       124.8161 137.1326 48.01001 156.4301 16.96049 -19.29744      50.91777 
1 1 1 -11 -12 22 o 108.1890 26.54430 321.4171       136.2475 1201.947       397.2888 204.0549       145.0435 194.7984 43.73354 87.29957 29.38240 107.4988       52.68726 
1 1 1 -11 -12 23 o 95.44899 45.50109 -134.3800      575.2405 -134.3800      575.2405 0.000000       0.000000 95.44899 45.50109 ?        ?        0.000000       45.50109 
1 1 1 -11 -12 24 o 219.6717 16.21602 1220.004       169.1042 1528.391       464.3222 1172.844       181.5743 207.8769 47.72965 214.1034 17.90247 -6.226425      50.97664 
1 1 1 -11 -12 25 o 68.27663 28.43479 80.90674       153.7493 367.7062       466.1004 45.89001       162.8651 104.6797 46.51040 65.75659 28.38809 38.92316       54.48946 
1 1 1 -11 -12 26 o 111.3667 22.20622 344.6585       114.0833 280.2814       298.5411 355.6669       123.4526 93.64206 39.35349 112.0542 23.78108 -18.41215      45.98083 
1 1 1 -11 -11 1  o 298.2343 9.705773 2136.123       138.2030 1992.016       161.8355 2524.301       265.6117 287.6638 11.79239 322.6574 17.28162 -34.99362      20.92164 
1 1 1 -11 -11 2  o 209.7272 10.50738 1058.735       105.0200 978.0486       149.5126 1137.316       147.5483 200.6841 15.70827 216.7690 14.31751 -16.08492      21.25419 
1 1 1 -11 -11 3  o 69.28626 12.01497 118.7212       38.35760 74.50931       57.76918 153.5819       51.29734 56.52800 18.52866 78.65141 14.16286 -22.12340      23.32161 
1 1 1 -11 -11 4  o 432.7673 15.84028 4532.771       327.1842 4791.411       463.7434 4276.426       461.6801 442.4635 21.99152 417.3867 23.22794 25.07678       31.98693 
1 1 1 -11 -11 5  o 213.7748 9.065444 1098.612       92.44148 1104.446       150.0830 1095.046       117.3419 213.3486 14.80594 213.0515 11.56354 0.2971344      18.78646 
1 1 1 -11 -11 6  o 162.9308 10.78037 641.0284       83.50189 733.9559       139.7885 589.4744       104.1190 173.1487 17.11010 155.6297 14.14807 17.51895       22.20188 
1 1 1 -11 -11 7  o 154.7780 11.43247 579.7440       84.00044 562.8013       147.9777 587.7990       102.0332 150.2780 21.18343 155.4109 13.87846 -5.132874      25.32487 
1 1 1 -11 -11 8  o 301.6671 9.630128 2189.040       138.7112 2357.663       265.1010 2125.470       162.7711 310.7386 17.92065 296.8567 11.49061 13.88193       21.28812 
1 1 1 -11 -11 9  o 80.73077 14.68516 162.5135       54.59220 148.4589       92.20721 170.0992       67.74118 77.09649 23.15944 82.06428 17.78070 -4.967789      29.19783 
1 1 1 -11 -11 10 o 47.57112 16.84685 48.08104       47.91709 205.5952       87.33665 -19.75172      57.31343 89.83733 20.75228 36.74198 16.31803 53.09536       26.39953 
1 1 1 -11 -11 11 o 239.9534 10.76757 1389.191       123.2098 1439.563       168.8477 1331.821       180.1953 243.3491 14.57985 233.5609 16.23857 9.788193       21.82346 
1 1 1 -11 -11 12 o 280.7899 10.07117 1899.861       134.9789 1843.191       236.4637 1927.252       164.3933 274.1197 18.14542 282.2826 12.21012 -8.162933      21.87106 
1 1 1 -11 -11 13 o 48.15559 18.90413 34.38263       63.55544 49.18312       81.74866 11.76777       101.0507 55.30869 21.51868 54.03114 22.81162 1.277554       31.35958 
1 1 1 -11 -11 14 o 158.6395 12.10919 611.5851       91.14661 341.7415       129.8195 873.9231       128.0013 115.0682 24.35822 189.2633 14.25088 -74.19505      28.22074 
1 1 1 -11 -11 15 o 94.62499 18.14070 226.4603       79.08144 87.06765       108.2286 386.1336       115.8345 66.65779 25.04547 123.6357 20.30080 -56.97791      32.23970 
1 1 1 -11 -11 16 o 160.3240 12.24582 625.5198       93.15282 462.2156       144.2474 742.3440       122.0045 134.3949 23.29373 174.0613 14.80131 -39.66638      27.59849 
1 1 1 -11 -11 17 o 81.04045 19.73760 168.3293       75.75177 198.6370       191.1661 162.6838       82.50590 92.43806 33.53921 79.60465 21.27262 12.83341       39.71654 
1 1 1 -11 -11 18 o 96.34740 20.79719 238.6263       92.98598 174.2560       131.7946 302.4282       131.2114 83.87988 28.00547 107.2912 25.88096 -23.41135      38.13306 
1 1 1 -11 -11 19 o 80.71142 23.11335 168.7581       93.73971 231.9562       134.8247 109.6210       130.4209 93.75156 27.96793 72.86980 27.46898 20.88177       39.20140 
1 1 1 -11 -11 20 o 137.7277 14.43038 468.8084       93.60930 409.0533       161.1331 499.2491       115.0071 123.3467 27.97065 141.1606 17.40979 -17.81392      32.94629 
1 1 1 -11 -11 21 o 392.6172 10.24107 3734.777       192.0667 4015.429       319.4546 3575.893       240.3617 402.7549 16.62627 382.5044 13.16340 20.25046       21.20632 
1 1 1 -11 -11 22 o 146.2929 17.65167 539.7890       120.9650 751.8192       564.2370 529.5742       123.8445 144.9212 56.49099 144.5977 18.32556 0.3235016      59.38904 
1 1 1 -11 -11 23 o 47.45784 22.17884 -97.49687      124.7332 94.79391       246.6517 -163.5706      144.5837 82.69649 35.30366 47.45035 22.67265 35.24614       41.95708 
1 1 1 -11 -11 24 o 173.4380 16.08104 759.8962       131.8235 605.6677       290.4384 799.9113       147.9394 135.1717 41.20949 176.9834 17.72223 -41.81172      44.85866 
1 1 1 -11 -11 25 o 61.95355 23.53000 84.24574       96.11990 -138.0027      279.8791 113.9644       102.3448 69.44691 32.69757 67.91335 24.55434 1.533562       40.89067 
1 1 1 -11 -11 26 o 94.66221 27.38796 264.2999       130.9828 261.5397       184.8848 267.0813       185.5925 92.13529 33.04190 92.88011 33.12840 -0.7448196     46.78951 
1 1 1 -11 -10 1  o 140.7351 9.174803 476.8308       61.39508 274.8762       86.67506 680.1961       86.97724 105.2476 17.86357 167.9947 10.88798 -62.74709      20.92021 
1 1 1 -11 -10 2  o 312.4193 7.722833 2338.256       115.3514 2178.260       166.5566 2485.736       159.9093 300.9138 11.59913 321.6713 10.41179 -20.75745      15.58670 
1 1 1 -11 -10 3  o 311.1033 9.037027 2322.722       134.2697 2042.267       258.1302 2426.752       157.2121 289.7837 18.73223 317.8052 10.36090 -28.02155      21.40665 
1 1 1 -11 -10 4  o 194.6570 9.364942 911.0443       86.89757 740.6397       142.3831 1012.190       109.6964 174.1443 17.33159 204.9516 11.23823 -30.80731      20.65628 
1 1 1 -11 -10 5  o 259.8639 8.603973 1621.102       106.7466 1655.965       169.9294 1598.377       137.1947 261.8202 13.62239 257.6612 11.16380 4.158936       17.61249 
1 1 1 -11 -10 6  o 276.1962 8.622685 1831.475       113.7199 1974.162       182.2798 1740.548       145.5104 285.9096 13.37230 268.8156 11.34774 17.09402       17.53823 
1 1 1 -11 -10 7  o 222.9958 10.29307 1197.380       109.4402 1504.549       165.2811 957.5591       146.0421 249.3184 13.92158 198.3906 15.52090 50.92780       20.84967 
1 1 1 -11 -10 8  o 298.7129 8.923642 2143.816       127.2968 2343.034       198.8851 2005.568       165.6794 311.3278 13.39347 288.3074 12.04654 23.02032       18.01400 
1 1 1 -11 -10 9  o 310.1961 10.83041 2318.100       160.3699 2413.812       204.7503 2166.190       257.9492 315.8452 13.59125 297.7331 18.20877 18.11206       22.72183 
1 1 1 -11 -10 10 o 96.35863 15.70558 230.7550       69.86266 126.1720       94.48479 356.8979       103.7678 72.52979 23.69143 119.5950 18.76556 -47.06519      30.22300 
1 1 1 -11 -10 11 o 279.9160 12.23489 1893.781       163.3376 1983.690       234.3376 1808.827       227.7899 284.9611 17.28202 271.9519 17.61476 13.00922       24.67688 
1 1 1 -11 -10 12 o 357.7396 10.32487 3082.579       176.4028 3323.899       214.5652 2579.280       309.8676 370.9656 12.11435 323.7440 20.11953 47.22165       23.48516 
1 1 1 -11 -10 13 f 102.1641 13.01018 256.2755       62.10667 369.2538       97.52531 179.1994       80.55264 121.9458 17.20549 83.79483 20.31949 38.15096       26.62537 
1 1 1 -11 -10 14 o 304.2898 12.87286 2243.124       186.8480 2381.055       269.4022 2115.275       259.3693 311.5023 18.16857 293.3663 18.58827 18.13599       25.99270 
1 1 1 -11 -10 15 f 111.5833 13.80805 306.3205       72.09112 200.1584       116.8812 371.5064       91.58755 88.31257 25.96344 122.4983 16.02228 -34.18569      30.50924 
1 1 1 -11 -10 16 o 170.1028 12.97920 704.9949       104.7553 963.2419       197.6344 604.0925       123.5367 196.0930 21.42949 156.3605 16.78835 39.73247       27.22263 
1 1 1 -11 -10 17 f 110.5653 18.08334 307.3806       92.28722 175.8023       129.2685 444.1544       131.7959 84.13795 27.72390 132.2231 21.59366 -48.08520      35.14115 
1 1 1 -11 -10 18 o 268.9777 10.43264 1748.212       133.9043 1921.915       201.3626 1610.501       179.2918 280.4372 15.07419 256.8001 14.66446 23.63708       21.03040 
1 1 1 -11 -10 19 o 50.37507 20.20843 33.07214       74.13705 -399.0952      216.6308 90.40192       78.90134 51.77923 25.42189 62.65858 21.65841 -10.87935      33.39700 
1 1 1 -11 -10 20 o 133.2851 17.29109 444.8878       107.5881 524.4144       152.6217 366.3317       151.6876 142.5130 23.19740 116.9721 27.57703 25.54087       36.03625 
1 1 1 -11 -10 21 o 145.3738 14.52677 522.4877       99.61266 865.4676       180.0133 371.1103       119.5916 184.6626 20.74855 119.7526 21.68675 64.91000       30.01362 
1 1 1 -11 -10 22 o 96.26376 24.95182 247.6912       115.7705 414.8056       172.1427 109.6902       156.4310 122.8404 29.65196 75.50241 29.65244 47.33801       41.93455 
1 1 1 -11 -10 23 o 79.28754 23.14407 166.0837       93.16225 284.8997       257.3060 148.1577       99.94324 102.8272 38.62124 75.68729 24.33822 27.13993       45.65029 
1 1 1 -11 -10 24 o 46.45576 22.14433 -147.3419      136.2037 -368.5635      266.3221 -68.98572      158.5002 59.08073 28.83252 56.56646 25.92465 2.514275       38.77372 
1 1 1 -11 -10 25 o 59.65883 25.04492 40.68945       120.7116 -63.01617      169.6663 146.9918       171.7773 58.52635 26.82266 79.17347 31.07930 -20.64712      41.05336 
1 1 1 -11 -10 26 o 60.83508 24.45732 67.83771       108.8375 149.8724       176.7752 17.75742       138.1198 78.78088 31.33808 59.46355 25.90354 19.31733       40.65794 
1 1 1 -11 -10 27 o 80.86708 27.94898 190.2918       131.3888 112.7348       259.0374 217.1565       152.4555 79.37740 34.99861 85.12592 30.05894 -5.748520      46.13504 
1 1 1 -11 -9  1  o 215.6140 8.847092 1115.861       91.00438 1038.910       151.6463 1159.171       113.7672 207.1494 15.42295 219.5403 10.87296 -12.39085      18.87031 
1 1 1 -11 -9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -9  3  o 248.6256 9.009748 1483.728       106.9174 1414.022       187.7969 1517.158       130.0519 241.5593 16.35781 251.1840 10.85533 -9.624680      19.63202 
1 1 1 -11 -9  4  o 485.8269 7.932103 5655.222       184.2376 5600.945       271.9522 5701.265       250.4737 482.8152 11.78157 487.3280 10.75059 -4.512787      15.94932 
1 1 1 -11 -9  5  o 377.2694 9.595098 3416.868       172.9246 3636.764       375.9122 3357.846       194.7542 386.3799 20.42249 373.7620 10.91059 12.61792       23.15424 
1 1 1 -11 -9  6  o 576.8081 10.45865 7989.797       288.4134 8607.252       801.7970 7898.030       309.1033 589.4218 28.53792 573.2723 11.27806 16.14954       30.68563 
1 1 1 -11 -9  7  o 264.9627 8.816558 1685.947       111.5288 1547.502       161.5910 1811.895       154.1248 253.0645 13.40384 274.2069 11.78422 -21.14244      17.84743 
1 1 1 -11 -9  8  o 148.6848 12.36047 535.9907       87.06996 501.2907       157.5495 551.2493       104.4740 140.9705 24.25091 150.3669 14.72115 -9.396439      28.36933 
1 1 1 -11 -9  9  o 142.5361 11.78715 492.4897       79.60593 430.6094       109.8856 560.8341       115.4824 131.9671 17.87596 151.2919 16.21869 -19.32480      24.13702 
1 1 1 -11 -9  10 o 288.3979 12.68701 2010.226       174.5001 1811.555       249.5296 2200.378       244.1201 271.7635 19.33158 300.4501 17.06524 -28.68661      25.78629 
1 1 1 -11 -9  11 o 90.73064 16.43864 205.8811       68.68158 267.5196       89.43981 117.2979       107.2212 103.1745 18.82563 72.20009 25.23081 30.97442       31.48012 
1 1 1 -11 -9  12 o 122.8556 15.80031 372.1636       90.65829 383.1734       146.6143 365.3481       115.3551 121.9362 25.94746 120.4232 20.78743 1.512970       33.24738 
1 1 1 -11 -9  13 o 252.6154 10.61740 1539.335       127.9431 1589.092       210.9015 1510.360       160.9408 254.7575 17.42071 249.5178 13.54213 5.239700       22.06514 
1 1 1 -11 -9  14 o 252.2845 10.50795 1535.702       126.4634 1571.471       199.6897 1511.750       163.4091 253.4850 16.56845 249.4827 13.75344 4.002319       21.53301 
1 1 1 -11 -9  15 o 199.2770 11.78808 962.1211       111.8057 1076.499       170.7491 876.2729       147.9291 209.3035 17.21577 188.9080 16.54617 20.39555       23.87800 
1 1 1 -11 -9  16 o 80.00479 24.82526 160.9960       104.8328 476.7982       189.2280 21.14851       125.9231 134.1403 30.23248 60.63787 25.52530 73.50246       39.56695 
1 1 1 -11 -9  17 o 80.84067 18.67473 166.9009       70.72302 292.7588       124.5656 107.0323       85.91273 105.9469 24.99869 67.21501 22.61341 38.73193       33.70906 
1 1 1 -11 -9  18 o 57.28871 20.26542 72.10529       69.32061 -75.86176      123.3040 140.4834       83.82113 49.89992 22.86803 74.41172 22.01607 -24.51180      31.74357 
1 1 1 -11 -9  19 o 170.4799 14.37461 712.3228       116.0690 778.2729       169.5375 654.1417       159.2387 176.0926 20.52219 161.0005 21.20258 15.09203       29.50779 
1 1 1 -11 -9  20 o 88.03270 21.86892 201.3123       91.62860 449.6578       250.9463 163.1091       98.42424 126.4784 38.25343 79.69938 23.92431 46.77905       45.11870 
1 1 1 -11 -9  21 o 310.3685 11.75890 2342.199       174.1672 2659.327       305.8070 2189.948       211.8903 325.8662 19.72138 298.5777 14.89080 27.28857       24.71172 
1 1 1 -11 -9  22 f 219.1027 15.16809 1185.737       157.9058 1047.845       280.2263 1249.892       191.1414 196.4512 30.85198 223.5136 18.04036 -27.06236      35.73932 
1 1 1 -11 -9  23 o 96.93111 29.20217 256.4071       146.4462 168.1769       216.3255 331.0507       198.9734 88.29653 34.81119 108.2794 34.28894 -19.98286      48.86257 
1 1 1 -11 -9  24 o 33.51671 16.35210 -147.3238      85.48712 -169.3329      214.0175 -143.1455      93.24924 60.27451 28.44433 36.04957 17.47038 24.22494       33.38104 
1 1 1 -11 -9  25 o 57.87194 23.13233 57.10011       96.78244 277.7097       230.5358 9.900027       106.6344 97.92915 36.60331 53.28622 22.98730 44.64293       43.22289 
1 1 1 -11 -9  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -9  28 o 39.61411 18.96271 -111.9334      102.1306 123.9961       436.8801 -125.5722      105.0411 87.22085 40.99919 39.39524 18.95499 47.82561       45.16885 
1 1 1 -11 -8  1  o 394.9951 9.417439 3739.173       177.8414 3732.851       199.2685 3763.920       394.2357 394.3887 10.57787 393.7596 21.01807 0.6291809      23.52978 
1 1 1 -11 -8  2  o 253.6281 8.513587 1542.798       103.0866 1578.039       192.9006 1528.711       121.9628 255.4805 15.87148 252.2924 10.13209 3.188034       18.82985 
1 1 1 -11 -8  3  o 323.1582 13.08052 2514.065       201.6741 2494.270       288.0533 2533.098       282.4496 320.6649 18.87286 323.2870 18.34980 -2.622101      26.32299 
1 1 1 -11 -8  4  o 388.6634 8.038845 3618.978       149.3742 3417.307       226.4667 3774.281       198.7339 376.8686 12.58681 396.4699 10.49386 -19.60132      16.38746 
1 1 1 -11 -8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -8  6  o 327.3646 13.51038 2584.543       210.9955 2478.083       302.6023 2685.279       294.3541 318.8809 19.94878 332.4003 18.59667 -13.51938      27.27252 
1 1 1 -11 -8  7  o 196.6762 9.639868 930.5175       90.36624 690.8127       155.7278 1052.210       110.9585 167.4936 19.83162 208.9588 11.14720 -41.46523      22.74980 
1 1 1 -11 -8  8  o 201.8857 10.40309 981.6936       100.0712 931.9301       152.6365 1019.209       132.5284 195.5649 16.47839 205.1805 13.58681 -9.615601      21.35740 
1 1 1 -11 -8  9  f 257.0502 10.06555 1589.894       123.4592 1535.658       154.4554 1685.859       205.4548 252.0971 12.85771 263.3060 16.40247 -11.20886      20.84135 
1 1 1 -11 -8  10 f 178.9372 11.07682 773.3851       94.29522 720.2046       137.7000 820.3437       129.3943 171.4250 17.02643 183.5683 14.87102 -12.14328      22.60634 
1 1 1 -11 -8  11 o 277.3810 12.42180 1859.507       164.3109 1837.660       236.6621 1879.839       228.3045 274.0512 18.16547 277.4876 17.29526 -3.436401      25.08207 
1 1 1 -11 -8  12 o 142.0855 13.24401 491.9262       88.92968 494.0052       163.0736 491.0463       106.0937 139.0379 25.47087 141.3525 15.97903 -2.314651      30.06817 
1 1 1 -11 -8  13 o 222.3947 11.27475 1194.997       119.4869 1382.053       187.4476 1066.968       155.0775 237.7939 16.59220 209.0689 15.62805 28.72502       22.79335 
1 1 1 -11 -8  14 o 91.96692 23.31494 217.5008       102.6348 -95.03102      179.6298 368.9839       125.0585 61.15327 27.86343 120.4063 22.55337 -59.25308      35.84725 
1 1 1 -11 -8  15 o 88.37936 21.26790 200.1718       88.77045 66.99623       120.4076 358.7516       131.3910 65.77709 25.95932 118.1271 24.08286 -52.35001      35.41003 
1 1 1 -11 -8  16 o 220.4841 12.91821 1180.844       135.5754 1215.079       219.9349 1159.862       172.1797 220.8131 21.08934 217.3581 16.69691 3.455032       26.89883 
1 1 1 -11 -8  17 o 269.3972 13.38924 1764.717       171.9073 1852.687       262.2084 1698.400       227.6627 273.1415 20.22283 262.3737 18.26346 10.76782       27.24916 
1 1 1 -11 -8  18 o 243.0348 13.63816 1439.126       157.8290 1646.500       262.3047 1321.439       197.6020 256.4847 21.59155 231.2232 18.01736 25.26157       28.12152 
1 1 1 -11 -8  19 o 108.4204 26.34309 309.3279       135.1851 365.7432       213.3340 271.4744       174.7488 116.1334 35.30088 101.6970 32.12498 14.43640       47.73015 
1 1 1 -11 -8  20 o 346.8594 16.42497 2955.579       271.6008 2443.335       405.3280 3373.002       365.8949 307.6047 27.86356 367.5766 20.90715 -59.97192      34.83514 
1 1 1 -11 -8  21 o 249.6990 31.63379 1670.580       369.1764 1670.580       369.1764 0.000000       0.000000 249.6990 31.63379 ?        ?        0.000000       31.63379 
1 1 1 -11 -8  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -8  24 o 67.08218 28.96653 22.70083       169.6408 54.55455       371.5061 14.30925       190.6811 92.47099 41.27674 69.57272 30.36933 22.89827       51.24516 
1 1 1 -11 -8  25 o 81.87018 24.87765 182.1266       105.9636 2.832496       521.2045 189.8569       108.2238 97.15711 45.38277 83.41644 25.09768 13.74067       51.86029 
1 1 1 -11 -8  26 o 109.6503 23.38399 329.5131       118.8413 -1078.600      655.3929 377.3858       120.8446 77.85934 39.15899 118.2583 22.18887 -40.39895      45.00858 
1 1 1 -11 -8  27 o 73.04209 30.23279 105.6108       172.3045 30.93012       695.4849 110.4943       177.8490 98.27762 47.64728 74.10237 30.69750 24.17525       56.67980 
1 1 1 -11 -8  28 o 73.75661 30.66779 123.2025       178.4333 204.2117       732.0494 118.0856       183.9824 96.93401 47.41216 73.66483 30.92178 23.26917       56.60450 
1 1 1 -11 -7  1  o 315.5219 12.48776 2393.877       188.0026 2507.962       266.8997 2281.527       264.8636 322.0863 17.39732 307.0089 18.12591 15.07736       25.12400 
1 1 1 -11 -7  2  o 451.4606 16.08692 4914.751       346.6621 5234.394       491.4089 4598.096       489.1077 464.1280 22.21054 434.4648 23.63634 29.66324       32.43431 
1 1 1 -11 -7  3  o 364.0475 13.65090 3190.428       237.1688 3405.840       337.1096 2979.313       333.7306 374.9774 18.86492 350.3582 20.00712 24.61923       27.49855 
1 1 1 -11 -7  4  o 254.6262 7.787390 1554.323       94.68750 1588.650       144.8625 1528.718       125.1143 256.9450 11.82424 252.2319 10.39754 4.713043       15.74552 
1 1 1 -11 -7  5  o 267.0534 11.57629 1715.967       147.4495 1745.845       211.4480 1687.686       205.7200 268.4690 16.55460 263.9790 16.38113 4.489990       23.28940 
1 1 1 -11 -7  6  o 401.0867 10.80502 3865.283       207.0029 3859.682       240.1306 3881.484       408.4228 400.4371 12.55862 398.9348 21.49345 1.502228       24.89353 
1 1 1 -11 -7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -7  8  o 150.2640 10.92871 545.4089       77.97466 523.4651       116.6756 563.1198       104.8202 146.1009 17.02243 152.0913 14.59448 -5.990417      22.42236 
1 1 1 -11 -7  9  o 186.7631 10.79022 841.2098       95.93498 923.7446       145.0672 777.0587       127.8947 194.8171 15.70828 178.7019 15.11128 16.11517       21.79681 
1 1 1 -11 -7  10 o 226.2814 11.08012 1234.778       119.5032 1156.773       213.5876 1270.325       144.1834 216.5760 20.88681 229.1038 13.21974 -12.52771      24.71882 
1 1 1 -11 -7  11 o 82.89733 23.23324 174.2588       95.75416 255.3309       200.0325 150.1590       109.0616 102.1723 34.50570 78.65985 25.43585 23.51247       42.86753 
1 1 1 -11 -7  12 o 270.1275 12.31260 1764.098       158.5928 2033.538       241.8567 1560.850       210.0580 288.4151 17.62423 252.5876 17.50303 35.82745       24.83887 
1 1 1 -11 -7  13 o 55.93645 21.20947 56.48359       78.01775 -414.6789      234.2293 115.2793       82.74255 54.93030 26.85705 68.99192 22.14118 -14.06162      34.80709 
1 1 1 -11 -7  14 o 322.6299 13.91721 2525.013       214.1621 2640.367       316.5320 2427.626       290.8386 327.2642 20.33109 314.1573 19.45959 13.10690       28.14301 
1 1 1 -11 -7  15 o 211.3512 14.33296 1088.211       143.9700 1138.658       270.2028 1068.212       170.1316 211.1851 27.40785 208.5293 17.21844 2.655838       32.36765 
1 1 1 -11 -7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -7  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -7  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -7  20 o 259.1241 14.46440 1641.382       178.4800 1981.769       346.0554 1518.025       208.3256 278.0021 26.35150 247.8024 17.70103 30.19977       31.74473 
1 1 1 -11 -7  21 o 198.0735 16.11917 969.0291       151.3248 1082.188       341.4380 941.3686       168.8095 196.5856 37.70009 194.2733 18.39412 2.312286       41.94806 
1 1 1 -11 -7  22 o 251.6857 15.64291 1564.248       187.2977 1740.646       369.1777 1503.108       217.3463 254.3224 31.00281 245.0367 18.69406 9.285660       36.20279 
1 1 1 -11 -7  23 o 186.5530 17.03350 870.1713       150.2456 919.8506       340.1878 858.1326       167.4633 174.7277 41.36832 184.1146 19.31201 -9.386871      45.65405 
1 1 1 -11 -7  24 o 103.1370 24.50485 285.8781       119.0335 293.8606       294.6850 284.3217       130.1215 105.3378 40.89145 102.1608 26.43943 3.177002       48.69449 
1 1 1 -11 -7  25 o 175.0159 21.08607 797.1458       172.8830 735.6089       317.7229 823.0291       206.0583 150.0697 42.41335 174.8194 25.39667 -24.74977      49.43564 
1 1 1 -11 -7  26 o 101.2938 24.62482 285.3765       118.0761 527.6890       666.4597 277.5241       119.9741 117.8558 53.68781 99.58665 25.18621 18.26918       59.30199 
1 1 1 -11 -7  27 o 83.70685 25.64804 197.8794       112.3210 12.62863       415.3207 212.4978       116.6686 86.99189 40.59393 86.41657 26.07136 0.5753174      48.24503 
1 1 1 -11 -7  28 o 158.5167 17.63848 658.8303       131.4120 908.0524       266.7784 578.9839       151.0028 167.9343 34.38623 144.6263 22.57606 23.30801       41.13504 
1 1 1 -11 -6  1  o 139.0741 9.344472 465.5459       61.77057 500.3245       93.32686 438.4324       82.40299 143.6493 13.75714 134.4997 12.97573 9.149536       18.91107 
1 1 1 -11 -6  2  o 446.3066 7.566587 4769.318       161.4514 4649.412       234.7544 4876.935       222.3996 440.0967 11.16627 450.9973 10.31459 -10.90060      15.20119 
1 1 1 -11 -6  3  o 583.5745 7.780403 8155.562       217.0735 8230.490       312.7885 8085.944       301.4991 585.6898 11.17056 580.5825 10.86210 5.107300       15.58097 
1 1 1 -11 -6  4  o 337.8846 7.808964 2734.339       126.1450 2743.677       191.2368 2727.146       167.8369 337.8313 11.85871 337.0261 10.42890 0.8051758      15.79211 
1 1 1 -11 -6  5  o 532.4700 18.85857 6867.825       479.3205 6969.685       679.8622 6767.154       675.8785 532.8793 26.77177 524.9332 27.02218 7.946106       38.03848 
1 1 1 -11 -6  6  o 386.6830 8.107897 3582.969       149.8897 3557.634       230.8613 3601.432       197.0770 384.4565 12.57710 387.1919 10.65650 -2.735413      16.48467 
1 1 1 -11 -6  7  o 113.5382 14.65424 315.8001       77.69188 178.1143       149.8983 366.3722       90.84639 87.70584 29.86775 122.1835 15.93106 -34.47764      33.85086 
1 1 1 -11 -6  8  o 294.2999 10.19285 2082.216       143.1983 2027.376       259.5439 2106.216       171.6960 288.3987 18.92851 295.6377 12.17369 -7.238983      22.50527 
1 1 1 -11 -6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -6  14 f 152.7881 15.66022 572.8864       112.7751 818.5930       295.5932 531.0290       122.0034 174.6686 36.57198 146.4864 17.78462 28.18219       40.66697 
1 1 1 -11 -6  15 o 173.8135 14.38096 737.5870       118.4347 660.5219       219.5082 769.2342       140.6661 159.0415 29.96802 176.8574 16.83933 -17.81593      34.37507 
1 1 1 -11 -6  16 o 235.4157 13.64611 1347.745       152.9281 1424.043       257.5591 1306.198       190.0572 238.4416 22.87385 230.5334 17.37197 7.908203       28.72279 
1 1 1 -11 -6  17 o 290.8537 12.80768 2053.000       177.6590 2026.743       348.1835 2062.242       206.5733 282.4693 26.07693 290.7381 14.91135 -8.268799      30.03922 
1 1 1 -11 -6  18 o 348.5006 14.32457 2960.214       238.1589 3043.059       342.7482 2882.874       331.1654 349.8104 20.58534 340.5468 20.43441 9.263580       29.00554 
1 1 1 -11 -6  19 o 182.8940 14.39753 819.6108       124.8769 960.3965       217.3229 750.2115       152.5821 194.1613 23.91664 173.4782 18.69180 20.68309       30.35439 
1 1 1 -11 -6  20 o 373.8354 11.85515 3388.223       211.6151 3701.842       416.4893 3279.085       245.6919 383.6478 22.81013 366.7261 14.03924 16.92166       26.78436 
1 1 1 -11 -6  21 o 44.16037 19.33311 -12.77148      77.77180 -43.75929      153.3952 -2.050045      90.22833 59.17285 26.46061 49.05149 21.15270 10.12136       33.87625 
1 1 1 -11 -6  22 o 144.0936 15.51825 515.9738       105.2210 426.6273       182.3995 560.5359       128.8155 124.4407 30.82082 149.1228 18.46221 -24.68211      35.92738 
1 1 1 -11 -6  23 o 162.9290 17.59431 667.0497       134.8790 628.5781       200.0023 699.1420       182.6693 152.4167 28.49430 163.5469 24.08245 -11.13019      37.30803 
1 1 1 -11 -6  24 o 137.7688 19.16993 485.0356       122.8486 -8.198938      308.8996 577.7039       133.8925 83.23324 37.35927 150.6120 19.01788 -67.37873      41.92129 
1 1 1 -11 -6  25 o 119.5387 22.25721 378.8992       122.5207 463.8481       417.6473 370.9002       128.1594 119.7675 47.99233 117.5454 23.62568 2.222092       53.49240 
1 1 1 -11 -6  26 o 79.97918 30.71714 158.4171       164.9970 510.5081       367.8123 69.71501       184.6145 119.2662 45.84781 71.96786 30.62739 47.29836       55.13673 
1 1 1 -11 -6  27 o 92.40435 29.77798 251.8355       149.5574 164.0653       241.5001 306.4371       190.4787 84.66985 35.47665 99.51158 33.67136 -14.84174      48.91169 
1 1 1 -11 -6  28 o 215.8140 17.27287 1209.786       176.7317 900.5228       297.0695 1379.204       219.8738 161.4525 38.94038 226.9260 20.48701 -65.47351      44.00080 
1 1 1 -11 -6  29 o 69.26744 25.21930 132.3850       108.2148 248.1264       256.4594 107.3136       119.3612 87.28311 36.56440 65.99023 25.90630 21.29288       44.81174 
1 1 1 -11 -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -5  6  o 493.1711 25.70354 5970.762       603.9451 5970.762       603.9451 0.000000       0.000000 493.1711 25.70354 ?        ?        0.000000       25.70354 
1 1 1 -11 -5  7  o 183.0795 10.51401 807.3918       91.64021 754.9036       169.0413 829.2380       109.0562 175.0874 20.58730 185.2780 12.38278 -10.19061      24.02437 
1 1 1 -11 -5  8  f 230.2523 9.746459 1274.797       107.0473 1261.667       197.6314 1280.248       127.3458 227.3788 18.33552 230.4654 11.59492 -3.086563      21.69409 
1 1 1 -11 -5  9  o 417.6582 9.947781 4189.305       198.6349 3834.313       448.3760 4275.986       221.5629 394.5687 23.88083 421.5979 11.00175 -27.02921      26.29320 
1 1 1 -11 -5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -5  11 o 100.7154 23.68764 259.7327       112.1331 36.83141       227.1579 331.5480       128.9377 80.69986 34.14285 113.8316 24.42398 -33.13171      41.97934 
1 1 1 -11 -5  12 o 547.9666 19.63821 7356.775       513.6431 7610.757       736.7658 7116.599       716.4619 550.4322 28.09026 532.0601 28.26736 18.37207       39.85106 
1 1 1 -11 -5  13 o 193.8630 14.54656 915.7567       133.8397 1084.640       306.5837 875.9933       148.7638 204.0503 32.51750 189.0326 16.63021 15.01776       36.52330 
1 1 1 -11 -5  14 o 114.8177 17.17886 328.1073       91.40627 551.1741       196.6204 266.6066       103.2408 145.3763 29.30285 102.1390 21.80593 43.23727       36.52609 
1 1 1 -11 -5  15 o 64.59674 21.75429 97.54189       79.50809 114.2875       160.7681 92.12019       91.47817 78.55676 30.28189 65.11317 23.25461 13.44358       38.18076 
1 1 1 -11 -5  16 o 243.7032 13.19273 1442.653       153.1376 1588.845       241.9660 1344.968       197.7903 253.1779 20.15664 233.7431 17.83401 19.43475       26.91360 
1 1 1 -11 -5  17 o 225.9552 13.35897 1242.460       143.6684 1398.546       233.8619 1147.846       182.0779 236.8639 20.86459 215.6593 17.81845 21.20454       27.43772 
1 1 1 -11 -5  18 o 351.1609 14.60611 3008.406       244.6808 3269.257       368.3940 2802.502       327.3012 361.9918 21.38180 335.6473 20.49421 26.34445       29.61746 
1 1 1 -11 -5  19 o 204.7635 13.55135 1023.741       131.9148 1088.059       201.5423 975.5355       174.4814 208.3957 20.49358 198.0193 18.64995 10.37640       27.70934 
1 1 1 -11 -5  20 o 335.9131 14.75833 2758.642       236.4346 2589.929       347.0810 2904.719       322.9588 320.5724 22.79496 341.6715 19.85662 -21.09912      30.23071 
1 1 1 -11 -5  21 o 52.86573 23.10051 -12.38487      110.5753 -35.94592      157.4914 10.52096       155.2861 60.67807 26.99338 64.66760 27.81697 -3.989536      38.76115 
1 1 1 -11 -5  22 o 94.44724 21.15517 232.6303       93.14703 163.4900       176.3105 259.4001       109.7073 84.87218 31.95006 99.10391 23.51129 -14.23174      39.66846 
1 1 1 -11 -5  23 o 194.5920 17.92505 950.6846       164.8879 1021.131       312.5211 923.5101       194.1024 189.3174 35.84076 189.6435 21.80472 -0.3261108     41.95243 
1 1 1 -11 -5  24 o 100.3777 30.04443 279.6906       155.3900 -258.2600      297.8562 480.8511       182.1406 68.87952 32.80902 131.5953 29.66241 -62.71576      44.22997 
1 1 1 -11 -5  25 f 184.6884 16.70609 858.8333       145.9169 889.5437       325.4696 851.1078       163.2418 168.5591 40.82526 182.5329 18.98301 -13.97379      45.02284 
1 1 1 -11 -5  26 f 81.83429 26.01781 184.5167       114.4609 6.201324       533.2456 193.1293       117.1926 95.73474 45.09264 83.47143 26.30001 12.26331       52.20189 
1 1 1 -11 -5  27 o 87.37251 24.80145 215.5656       108.4021 330.2186       242.2536 186.8607       121.2149 101.3404 37.59103 81.49837 26.84603 19.84201       46.19302 
1 1 1 -11 -5  28 o 80.95940 25.56136 188.6812       110.6487 114.5074       248.6492 206.9963       123.5566 79.05527 34.59033 84.04874 27.06425 -4.993469      43.91998 
1 1 1 -11 -5  29 o 112.9449 29.59149 405.1585       161.6741 363.8903       265.1255 429.5893       203.9914 97.68530 38.53030 110.4652 34.68397 -12.77985      51.84170 
1 1 1 -11 -4  1  o 435.9768 9.244617 4554.787       192.6907 4524.926       467.7870 4560.889       211.4644 431.3108 22.76618 436.1603 10.14105 -4.849518      24.92268 
1 1 1 -11 -4  2  f 464.3523 7.394755 5162.678       164.1647 5285.785       238.4871 5051.813       226.3185 469.4529 10.62587 458.9895 10.31357 10.46341       14.80807 
1 1 1 -11 -4  3  o 527.3322 7.631449 6659.231       192.3976 6686.834       280.4071 6634.675       264.4739 527.8958 11.11047 525.9362 10.51820 1.959656       15.29951 
1 1 1 -11 -4  4  o 95.23695 11.36214 220.7763       50.71455 379.0947       107.8706 175.8531       57.46101 123.8685 18.80540 84.25956 14.80412 39.60890       23.93335 
1 1 1 -11 -4  5  o 147.1751 9.980505 521.9484       69.81017 380.8264       132.3099 576.3917       82.18022 123.1220 23.33128 154.5427 11.19867 -31.42074      25.87970 
1 1 1 -11 -4  6  o 421.9356 7.962720 4265.938       160.6261 4441.038       249.1733 4141.438       210.1089 429.6564 12.14248 415.2162 10.59294 14.44019       16.11367 
1 1 1 -11 -4  7  o 304.6182 10.55920 2230.929       153.5458 2417.668       202.1343 1976.178       236.0921 316.5851 13.38512 285.2482 17.39481 31.33688       21.94860 
1 1 1 -11 -4  8  o 252.1936 9.127495 1527.965       109.8695 1599.771       194.8529 1494.494       133.0346 256.7693 15.95164 249.0979 11.19949 7.671387       19.49060 
1 1 1 -11 -4  9  o 51.47292 19.52890 46.43530       66.16795 -79.79523      166.8435 69.99439       72.07860 60.16932 27.19151 57.74475 20.63994 2.424572       34.13774 
1 1 1 -11 -4  10 f 117.5454 12.58049 336.7442       69.60050 241.9450       128.5995 376.0160       82.77087 97.22564 26.80402 123.9737 14.22218 -26.74802      30.34347 
1 1 1 -11 -4  11 o 51.93697 22.66437 -16.45718      106.1320 -60.76056      270.6715 -8.408131      115.3709 79.72038 35.43058 55.15586 23.85248 24.56452       42.71144 
1 1 1 -11 -4  12 o 149.8896 15.21553 550.1876       107.5260 527.4445       274.6310 554.3052       116.8550 139.6033 39.42450 150.1302 16.55518 -10.52692      42.75939 
1 1 1 -11 -4  13 o 178.9593 13.39786 778.9409       113.7979 572.9790       189.1307 895.8184       142.4735 149.0263 27.56038 191.3978 15.70810 -42.37149      31.72253 
1 1 1 -11 -4  14 o 153.8186 14.16900 578.1509       103.0272 648.3642       181.7542 544.9089       125.0600 159.7356 24.58727 148.2983 18.00759 11.43733       30.47634 
1 1 1 -11 -4  15 o 165.2880 13.93314 666.8542       109.0786 429.4675       196.1424 773.1420       131.2457 126.9130 32.26170 177.6107 15.61517 -50.69772      35.84203 
1 1 1 -11 -4  16 o 450.0760 17.02292 4958.517       365.6324 5037.589       524.7538 4883.906       509.7379 448.0123 24.59384 441.4003 24.24808 6.612061       34.53732 
1 1 1 -11 -4  17 o 500.6493 10.97232 6051.987       262.6276 5585.291       614.6053 6156.240       290.4836 468.0419 27.58886 504.4273 12.04522 -36.38541      30.10369 
1 1 1 -11 -4  18 o 355.3378 14.43450 3079.945       244.7072 3384.424       359.1305 2816.059       334.3348 368.8594 20.44492 336.0686 20.91234 32.79080       29.24587 
1 1 1 -11 -4  19 o 207.5421 13.72482 1052.558       135.4180 983.9607       211.5666 1100.166       176.2534 196.8727 22.90498 210.7313 17.65662 -13.85867      28.92048 
1 1 1 -11 -4  20 o 155.6002 15.90235 598.7946       116.6370 727.4932       266.6661 568.3488       129.7016 162.3093 35.36694 150.7137 18.38022 11.59554       39.85791 
1 1 1 -11 -4  21 o 227.2015 15.63326 1271.028       168.7772 1438.828       309.1575 1199.785       201.4449 234.5570 28.12960 218.9793 19.44369 15.57773       34.19549 
1 1 1 -11 -4  22 o 177.3894 16.81421 784.2109       140.8953 1131.972       301.5543 687.0917       159.3594 203.7336 32.01422 164.1991 20.76359 39.53450       38.15805 
1 1 1 -11 -4  23 o 160.4773 19.69074 655.9020       147.9095 747.9576       484.6007 646.4452       155.3211 146.5586 53.36687 158.6564 20.99147 -12.09778      57.34688 
1 1 1 -11 -4  24 f 208.4154 15.67644 1081.528       155.0567 1270.092       326.5616 1026.642       176.1839 212.4151 33.24623 201.4699 18.49771 10.94527       38.04572 
1 1 1 -11 -4  25 o 104.4135 27.52725 303.9584       139.3409 340.0071       182.6500 253.7677       215.5195 108.2003 32.61604 96.27127 35.50214 11.92902       48.21004 
1 1 1 -11 -4  26 o 173.5151 19.38472 782.4261       158.0630 785.7058       215.8260 778.6321       232.1334 167.0798 28.00952 163.8388 30.76499 3.241013       41.60550 
1 1 1 -11 -4  27 o 46.87542 22.32960 -134.9606      138.0221 -247.0082      311.7835 -107.6506      153.9263 67.37685 32.47846 51.82887 24.35439 15.54798       40.59540 
1 1 1 -11 -4  28 o 139.5907 18.88229 517.3835       122.7858 897.7348       254.9478 402.5182       140.1049 169.7225 32.60447 118.1055 25.55618 51.61700       41.42667 
1 1 1 -11 -4  29 o 72.76809 25.67447 152.6029       111.2066 -141.1030      249.8382 225.1718       124.1874 61.82229 29.61090 85.57544 27.08789 -23.75315      40.13178 
1 1 1 -11 -3  1  o 338.8431 7.189502 2748.829       116.4678 2742.169       170.5098 2754.655       159.4650 337.9661 10.56578 338.8299 9.854554 -0.8638306     14.44811 
1 1 1 -11 -3  2  o 454.6598 9.288836 4954.603       201.9093 4747.994       503.4135 4994.210       220.4146 441.1585 23.95823 456.3624 10.10235 -15.20395      26.00105 
1 1 1 -11 -3  3  o 213.9493 7.948791 1097.954       81.16422 997.0518       131.3668 1160.253       103.2229 203.1748 13.60243 219.7475 9.850297 -16.57266      16.79448 
1 1 1 -11 -3  4  o 327.0731 8.827080 2565.932       137.9028 2691.314       291.2273 2529.693       156.5687 333.1238 18.35694 324.5826 10.10183 8.541168       20.95290 
1 1 1 -11 -3  5  o 440.9461 7.761292 4658.186       163.6168 4483.500       245.2475 4798.301       219.6425 431.7914 11.89148 447.1545 10.27425 -15.36310      15.71520 
1 1 1 -11 -3  6  o 172.3028 10.49515 715.4103       86.04477 798.6199       142.7504 667.9260       107.8364 181.0361 16.68058 165.9821 13.71146 15.05406       21.59273 
1 1 1 -11 -3  7  o 331.2282 9.165044 2634.069       144.9948 2782.542       303.8990 2590.309       164.9842 338.0959 18.87594 328.2348 10.52717 9.861084       21.61302 
1 1 1 -11 -3  8  o 152.2131 11.00354 559.8073       79.53369 506.5150       161.5806 576.8477       91.36877 141.6706 24.75687 154.2905 12.49333 -12.61984      27.73059 
1 1 1 -11 -3  9  o 184.2738 10.00811 818.1777       87.83968 855.5062       153.9747 800.1680       106.9506 186.9825 17.42483 181.8471 12.37554 5.135376       21.37238 
1 1 1 -11 -3  10 o 270.4751 11.88520 1765.706       153.3135 1798.568       221.1600 1735.303       212.7222 271.6002 17.11919 266.8720 16.75712 4.728210       23.95554 
1 1 1 -11 -3  11 o 119.0220 14.21159 347.4121       79.27226 410.2667       133.6806 313.3218       98.44987 127.2735 22.80733 111.8034 19.10405 15.47009       29.75129 
1 1 1 -11 -3  12 o 234.8031 12.73488 1335.593       142.4225 1066.103       211.9479 1557.463       192.3123 206.9950 21.74124 252.6751 16.00196 -45.68010      26.99527 
1 1 1 -11 -3  13 o 96.14242 16.51777 231.1050       73.18821 61.06044       130.0598 309.9045       88.53671 66.75680 26.77097 111.5244 17.15403 -44.76762      31.79537 
1 1 1 -11 -3  14 o 152.8596 12.80607 568.9407       92.72790 550.6621       157.8776 578.5671       114.5723 147.3902 23.16854 153.4246 15.84764 -6.034470      28.07007 
1 1 1 -11 -3  15 o 87.52889 19.07407 195.0679       77.55791 -36.04892      140.7698 295.8019       92.93553 57.76476 25.61868 108.4178 18.59904 -50.65304      31.65819 
1 1 1 -11 -3  16 o 96.30800 19.53608 236.1428       86.87165 50.75789       222.6193 269.4433       94.35191 80.14925 33.84954 102.9367 19.89212 -22.78744      39.26178 
1 1 1 -11 -3  17 o 197.4619 17.13337 962.2863       160.1471 558.7836       390.0990 1044.074       175.6292 139.7288 48.16462 205.3848 18.07035 -65.65596      51.44286 
1 1 1 -11 -3  18 o 215.8113 16.18035 1146.413       165.7284 1049.992       408.9323 1165.362       181.2831 188.8354 45.77713 217.0206 17.62377 -28.18520      49.05245 
1 1 1 -11 -3  19 o 200.3796 16.69934 992.4090       158.5254 1198.131       277.5814 892.8379       193.1154 214.5439 27.70881 187.7763 21.92340 26.76759       35.33290 
1 1 1 -11 -3  20 f 105.6934 22.38963 289.9067       109.6128 -212.7762      260.1479 398.4139       120.8656 67.23419 31.61469 124.8791 20.98810 -57.64487      37.94719 
1 1 1 -11 -3  21 o 305.6187 12.86004 2276.469       187.4817 2192.791       303.9993 2327.829       238.1674 294.7621 21.72475 307.2958 16.26925 -12.53366      27.14136 
1 1 1 -11 -3  22 o 232.0349 16.00701 1334.243       176.4827 1329.031       289.8371 1337.314       222.4821 224.0467 27.64436 229.7670 20.46747 -5.720276      34.39663 
1 1 1 -11 -3  23 o 185.0342 14.97966 849.0603       131.3821 645.9503       203.3366 994.6281       172.1403 154.0214 28.66853 198.6405 18.33291 -44.61908      34.02911 
1 1 1 -11 -3  24 o 78.35888 24.63339 161.6181       102.8661 94.33515       171.8081 199.2146       128.4295 74.72727 30.47787 86.14781 27.57848 -11.42054      41.10320 
1 1 1 -11 -3  25 o 43.07567 20.41557 -115.1391      112.4997 5.942720       286.3116 -137.2463      122.3395 79.98510 35.92903 43.94738 20.95934 36.03772       41.59554 
1 1 1 -11 -3  26 o 75.60301 25.42444 153.4985       108.6002 52.47290       181.5555 209.7850       135.5177 69.66924 30.02428 86.17770 28.38566 -16.50847      41.31831 
1 1 1 -11 -3  27 o 149.8450 29.07682 658.3959       200.7885 797.9784       362.3439 596.5406       241.2092 141.9694 46.39631 134.6570 36.54284 7.312408       59.05927 
1 1 1 -11 -3  28 o 62.89367 28.47428 -7.381837      183.9429 156.1934       590.4003 -24.96653      193.5777 94.20685 45.22667 62.88834 28.75729 31.31851       53.59509 
1 1 1 -11 -3  29 o 96.75043 32.78558 322.8666       180.5926 51.61316       360.7504 413.5754       208.6142 78.39307 36.97487 106.6842 35.22219 -28.29111      51.06607 
1 1 1 -11 -2  1  o 400.8682 7.214206 3847.750       138.2606 3880.579       201.1488 3818.350       190.3573 402.0685 10.47319 398.9048 9.989266 3.163666       14.47319 
1 1 1 -11 -2  2  o 313.7668 7.127401 2357.379       106.9169 2491.189       159.3019 2247.696       144.2263 322.0807 10.35889 305.9847 9.872003 16.09595       14.30954 
1 1 1 -11 -2  3  o 222.9420 7.508633 1191.824       79.91732 1250.763       127.5997 1153.781       102.5144 227.8918 11.75119 219.1080 9.811176 8.783768       15.30849 
1 1 1 -11 -2  4  o 87.19236 11.17983 185.5290       45.53290 205.2137       95.79301 179.7834       51.75312 90.06868 22.35202 85.48808 13.07768 4.580605       25.89669 
1 1 1 -11 -2  5  o 363.6422 7.534872 3168.220       130.9961 3370.652       200.9308 3018.576       172.7577 374.3928 11.23835 354.4695 10.20476 19.92337       15.18017 
1 1 1 -11 -2  6  o 645.6370 8.083989 9992.403       249.5298 9894.449       366.6381 10076.93       340.5782 641.4018 11.95636 647.5921 11.00036 -6.190308      16.24692 
1 1 1 -11 -2  7  o 472.9492 10.34118 5373.288       233.8261 5530.198       264.5849 4813.683       499.6654 479.5167 11.54125 442.4721 23.70683 37.04459       26.36691 
1 1 1 -11 -2  8  o 336.0339 8.177386 2708.196       131.3730 3077.282       219.7496 2502.918       163.8838 357.1001 12.89268 322.5060 10.64352 34.59412       16.71842 
1 1 1 -11 -2  9  o 67.49416 17.53368 114.7846       57.08108 132.5262       102.4929 106.8075       68.72590 74.70995 24.68925 65.91268 20.03639 8.797272       31.79648 
1 1 1 -11 -2  10 o 102.0150 14.51123 256.6761       68.78078 328.9552       121.1628 222.3092       83.54741 113.6401 23.08969 93.78656 19.27773 19.85355       30.07931 
1 1 1 -11 -2  11 o 236.6718 11.75481 1353.967       132.5895 1444.442       204.4876 1288.338       174.1618 242.7912 17.73915 229.7758 15.95312 13.01544       23.85748 
1 1 1 -11 -2  12 o 121.6636 17.22558 367.6458       97.39550 187.3278       220.5161 411.3456       108.5577 94.57560 35.70340 128.5628 18.16758 -33.98724      40.05988 
1 1 1 -11 -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -2  14 o 174.5301 15.85568 747.4756       130.8586 993.4827       238.1892 641.1235       156.6107 197.6077 25.82985 159.9462 20.98621 37.66154       33.28066 
1 1 1 -11 -2  15 o 344.9762 11.85141 2879.691       195.1740 2763.599       383.8248 2920.178       226.6663 331.5403 24.38584 346.6920 13.70222 -15.15167      27.97177 
1 1 1 -11 -2  16 o 126.1402 18.67986 399.0253       109.2508 422.3053       305.3833 395.6085       116.9937 124.8798 42.62899 125.0959 20.25380 -0.2161026     47.19584 
1 1 1 -11 -2  17 o 88.14317 27.65206 199.1679       129.6880 250.0158       218.0065 171.3180       161.3408 100.6066 35.90272 85.80898 30.85499 14.79758       47.33958 
1 1 1 -11 -2  18 o 52.68053 20.91179 40.33447       78.55701 105.6015       134.4338 6.491276       96.80487 72.99002 27.80219 51.91969 22.13950 21.07033       35.54039 
1 1 1 -11 -2  19 o 48.42884 22.77111 -127.9168      134.9367 -11.56930      228.0790 -190.5703      167.3706 74.80534 32.91710 51.65324 24.60099 23.15210       41.09433 
1 1 1 -11 -2  20 o 148.2905 15.62032 544.4750       109.0804 303.8464       168.9506 716.4781       142.8415 106.0301 31.22699 169.4724 17.89993 -63.44232      35.99350 
1 1 1 -11 -2  21 o 50.27242 21.38479 8.469874       89.93218 -40.22240      146.5939 37.85462       113.8798 57.86467 25.87207 59.64178 24.62199 -1.777115      35.71563 
1 1 1 -11 -2  22 o 246.3677 16.67620 1510.468       195.2641 1188.865       409.1109 1605.344       222.2076 196.1550 44.63297 252.8810 18.50769 -56.72601      48.31808 
1 1 1 -11 -2  23 o 294.2052 14.77244 2139.769       207.1187 2207.539       390.2419 2113.193       244.3786 285.9879 28.93941 290.3036 17.69169 -4.315735      33.91880 
1 1 1 -11 -2  24 o 138.2594 20.91404 497.0439       133.9275 735.9204       528.9505 480.6811       138.4384 139.6233 54.61775 135.2722 22.17380 4.351089       58.94723 
1 1 1 -11 -2  25 o 74.45760 25.68303 142.9788       110.9270 281.7418       316.5588 123.5549       118.4365 101.7046 41.41180 71.68414 26.33812 30.02048       49.07783 
1 1 1 -11 -2  26 o 82.92277 26.31860 193.1854       117.1654 316.8943       329.1788 175.2395       125.3760 101.2902 41.84313 79.75636 27.31197 21.53387       49.96790 
1 1 1 -11 -2  27 o 115.4391 24.50696 376.5310       131.0676 525.2462       344.2222 351.3140       141.7449 115.5163 44.36683 109.4576 27.20475 6.058777       52.04339 
1 1 1 -11 -2  28 o 65.31503 25.91855 97.78363       120.6389 -407.5825      358.9222 162.1477       128.0911 64.65369 31.93041 75.58985 27.45007 -10.93616      42.10769 
1 1 1 -11 -2  29 o 99.72950 27.83295 315.3369       137.7319 226.9077       533.2927 321.6569       142.5687 88.10293 42.47118 100.1601 28.44647 -12.05714      51.11753 
1 1 1 -11 -1  1  o 369.6786 7.194321 3272.888       127.1518 3272.888       127.1518 0.000000       0.000000 369.6786 7.194321 ?        ?        0.000000       7.194321 
1 1 1 -11 -1  2  o 270.0935 7.087877 1748.313       91.44569 1846.718       138.2673 1671.805       121.9177 277.1859 10.45246 263.8181 9.682585 13.36783       14.24803 
1 1 1 -11 -1  3  f 299.9925 7.164045 2155.636       102.7489 2304.354       156.7560 2043.609       136.0514 309.6176 10.60551 291.6791 9.770183 17.93851       14.41990 
1 1 1 -11 -1  4  o 123.2168 8.910058 366.0074       52.13332 439.0067       101.3599 339.7495       60.79069 133.8534 16.16608 118.4383 10.85649 15.41510       19.47320 
1 1 1 -11 -1  5  o 323.3574 8.767412 2509.738       135.4134 2626.501       286.0832 2476.024       153.7248 328.5764 18.28368 320.9732 10.02998 7.603149       20.85410 
1 1 1 -11 -1  6  o 157.1842 9.356467 595.1024       69.99377 642.5911       131.9648 576.5134       82.56422 161.9386 17.31343 154.4363 11.25974 7.502274       20.65276 
1 1 1 -11 -1  7  o 92.86886 12.64738 211.5450       54.69604 172.5977       136.1283 219.0432       59.72954 85.20317 28.46248 94.34192 13.63797 -9.138748      31.56116 
1 1 1 -11 -1  8  f 355.5377 13.43979 3055.402       228.0361 3315.178       329.6885 2817.133       315.7467 368.4583 18.77766 339.2786 19.54865 29.17975       27.10628 
1 1 1 -11 -1  9  o 118.5860 12.89010 343.2961       71.90554 426.2065       170.6255 325.3917       79.29031 128.1851 28.57191 115.0382 14.75622 13.14687       32.15742 
1 1 1 -11 -1  10 o 241.5198 11.77998 1409.868       135.6106 1451.000       207.4270 1379.163       179.2159 243.2841 17.96040 237.8130 15.85330 5.471146       23.95627 
1 1 1 -11 -1  11 o 295.2535 9.413098 2098.490       132.7030 2499.702       244.5814 1931.104       157.9780 320.2120 16.02729 282.6753 11.71501 37.53677       19.85234 
1 1 1 -11 -1  12 o 60.51444 21.30122 80.68443       76.51499 120.2144       129.2971 59.38040       94.91974 75.22794 27.53906 59.79379 23.20875 15.43415       36.01452 
1 1 1 -11 -1  13 o 369.1425 12.54652 3299.286       221.1028 3190.890       273.9118 3501.997       374.5775 361.6397 15.88132 376.1399 20.91206 -14.50021      26.25892 
1 1 1 -11 -1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 -1  15 f 47.51577 22.39995 -134.7229      132.0961 -151.3246      302.2026 -130.8017      146.8701 77.52066 35.62730 51.27032 23.99504 26.25034       42.95424 
1 1 1 -11 -1  16 o 256.7713 13.20553 1604.253       161.5658 1836.313       303.3111 1512.324       190.9037 269.6500 23.77083 248.1941 16.17661 21.45592       28.75300 
1 1 1 -11 -1  17 o 177.3340 19.34749 786.5811       161.3732 938.2862       406.5889 758.2153       175.8138 176.8790 47.20361 173.0927 21.72259 3.786240       51.96202 
1 1 1 -11 -1  18 o 309.5147 14.37421 2342.658       212.1222 2772.790       352.6272 2098.751       265.5389 331.6339 22.37162 290.3466 19.23796 41.28732       29.50574 
1 1 1 -11 -1  19 o 99.31087 27.92459 263.0424       138.0908 273.1566       258.0476 258.9837       163.4664 104.6072 38.79815 98.71973 31.05551 5.887520       49.69648 
1 1 1 -11 -1  20 o 126.9329 19.01955 408.0245       111.8704 783.6734       271.7181 331.3519       122.7574 167.9033 34.98604 112.5272 23.57429 55.37608       42.18732 
1 1 1 -11 -1  21 o 113.7983 21.32751 335.5508       111.7715 706.9178       280.4042 265.3983       121.8721 156.2508 37.92442 99.66399 25.48163 56.58681       45.68999 
1 1 1 -11 -1  22 o 182.2652 18.00665 837.0450       154.8602 746.1803       492.4714 847.0159       163.1357 145.2305 53.64695 182.8717 18.93278 -37.64125      56.88977 
1 1 1 -11 -1  23 o 72.85775 29.42640 93.35676       158.3512 51.15567       292.0652 110.9269       188.4541 84.59645 37.23658 78.46420 31.95089 6.132256       49.06549 
1 1 1 -11 -1  24 o 117.4747 32.15437 400.5518       185.8216 287.8338       463.1091 422.1818       202.8687 109.3276 47.53107 119.5823 33.92324 -10.25462      58.39511 
1 1 1 -11 -1  25 f 78.44424 30.03293 149.5394       157.3925 211.5979       246.5517 106.8537       204.4789 91.23515 36.76446 77.94764 32.65114 13.28751       49.17034 
1 1 1 -11 -1  26 o 123.6047 32.61507 473.9659       195.5003 971.6711       436.6572 349.1866       218.6380 149.9796 50.97860 103.7736 36.04388 46.20605       62.43380 
1 1 1 -11 -1  27 o 67.88932 28.96168 71.56848       165.7830 187.3469       260.2697 -7.476304      215.0535 85.53735 36.38250 67.16248 30.55708 18.37488       47.51233 
1 1 1 -11 -1  28 o 63.62556 29.10670 -8.218062      198.5866 97.32741       458.5482 -32.58361      220.3196 85.44176 40.70090 64.52998 29.92647 20.91178       50.51888 
1 1 1 -11 -1  29 o 83.79703 31.71704 238.4842       174.2857 486.4906       275.1011 72.20446       225.2581 105.3310 39.85253 69.80671 31.56630 35.52425       50.83950 
1 1 1 -11 0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0   2  o 156.5718 11.76611 592.7321       87.43107 592.7321       87.43107 0.000000       0.000000 156.5718 11.76611 ?        ?        0.000000       11.76611 
1 1 1 -11 0   3  o 250.9202 7.557991 1510.230       90.56389 1342.059       139.8763 1631.610       118.8344 235.8105 12.45129 260.5555 9.555858 -24.74506      15.69551 
1 1 1 -11 0   4  o 217.9950 7.638519 1140.464       79.48632 1075.690       125.4853 1183.868       102.7222 211.0015 12.49534 221.8448 9.708664 -10.84329      15.82377 
1 1 1 -11 0   5  o 87.66278 10.75263 187.4646       44.12220 142.7366       95.05504 199.7483       49.81376 76.24703 23.63589 90.35116 11.81485 -14.10413      26.42435 
1 1 1 -11 0   6  o 394.4539 7.806755 3731.224       147.2229 3333.935       222.6390 4039.936       196.2567 371.7247 12.54568 410.0286 10.01157 -38.30396      16.05072 
1 1 1 -11 0   7  o 211.5961 8.451646 1076.236       85.32626 1155.194       150.8646 1039.099       103.4644 218.0754 14.55342 207.5997 10.45820 10.47571       17.92138 
1 1 1 -11 0   8  o 158.3839 9.736167 605.2990       73.36745 871.7434       148.7912 519.7053       84.33251 188.7028 16.66371 146.3084 12.16638 42.39438       20.63250 
1 1 1 -11 0   9  o 197.0920 9.770857 936.5310       91.78123 866.2834       172.2780 964.3704       108.4536 187.1390 19.54334 199.7026 11.40675 -12.56355      22.62866 
1 1 1 -11 0   10 o 266.7690 9.240450 1713.185       117.6740 1653.632       205.3826 1742.288       143.5766 260.0589 16.60575 268.5873 11.20585 -8.528412      20.03303 
1 1 1 -11 0   11 f 80.61287 20.39900 166.0776       78.66971 215.4078       178.8289 154.2400       87.60167 94.33480 32.60648 77.93386 22.35203 16.40094       39.53221 
1 1 1 -11 0   12 o 55.92022 21.73495 51.09266       83.33527 171.9663       195.4388 24.23196       92.13057 89.84261 33.67720 53.55095 22.13067 36.29166       40.29789 
1 1 1 -11 0   13 o 197.6369 12.88549 949.7120       121.0885 899.3121       235.7361 967.7761       141.1300 187.0355 27.15598 198.9429 14.94755 -11.90746      30.99801 
1 1 1 -11 0   14 o 327.6917 11.20270 2596.702       175.2497 2612.888       336.0264 2590.654       205.3958 323.5835 21.84904 326.5910 13.18172 -3.007446      25.51741 
1 1 1 -11 0   15 o 46.25385 19.52575 8.252738       74.02150 19.58107       168.3762 5.538865       82.41240 68.36398 29.17642 48.17804 20.48172 20.18595       35.64779 
1 1 1 -11 0   16 o 214.5566 13.81914 1124.601       140.9989 1209.529       233.6241 1075.943       176.8364 218.7070 22.67173 208.3233 17.92946 10.38370       28.90454 
1 1 1 -11 0   17 o 116.2439 19.49547 343.3866       104.5135 318.6115       305.0031 346.6827       111.2487 112.1169 42.06174 116.3828 20.75525 -4.265877      46.90384 
1 1 1 -11 0   18 o 224.8335 14.02010 1238.066       149.9525 1245.265       245.9977 1233.810       189.1588 220.7226 23.68167 222.7767 17.91105 -2.054123      29.69221 
1 1 1 -11 0   19 o 91.60287 27.23031 221.4947       127.9843 137.1600       197.1268 282.9477       168.2729 84.30180 33.23233 102.4666 31.39224 -18.16480      45.71500 
1 1 1 -11 0   20 o 38.33247 18.22774 -107.2138      91.14909 -548.6522      340.5925 -73.15901      94.59962 65.21806 31.99063 42.24822 19.59884 22.96983       37.51686 
1 1 1 -11 0   21 o 107.6551 23.16598 306.5483       115.6954 534.1238       356.3883 279.7396       122.3202 130.6522 45.97343 102.0278 25.22183 28.62432       52.43755 
1 1 1 -11 0   22 o 172.7641 16.43333 747.9657       134.1010 555.5449       245.8915 829.4241       159.9873 136.6429 36.81670 180.7650 18.78608 -44.12201      41.33263 
1 1 1 -11 0   23 o 319.0604 14.84403 2525.809       225.8089 2365.183       324.6262 2676.386       314.3079 301.4956 22.68778 323.2431 20.44316 -21.74744      30.53945 
1 1 1 -11 0   24 o 197.7522 17.89103 995.2083       167.3193 1293.171       422.3816 939.7488       182.2267 196.1600 45.86376 190.4788 20.32406 5.681183       50.16525 
1 1 1 -11 0   25 o 57.79307 24.17233 40.94220       111.8154 -8.852448      253.8108 52.93372       124.5535 73.31091 33.29251 61.45483 25.59332 11.85607       41.99296 
1 1 1 -11 0   26 o 188.4429 19.66299 940.3608       174.5452 427.5063       491.3783 1014.416       186.7224 105.7424 47.31680 195.1563 20.30944 -89.41386      51.49129 
1 1 1 -11 0   27 o 113.0879 25.79830 373.9212       136.3864 19.46161       323.5796 450.4973       150.3988 77.74615 36.12824 124.1595 26.16371 -46.41339      44.60706 
1 1 1 -11 0   28 o 101.3893 27.18130 320.1264       134.4382 660.0344       336.7805 255.6950       146.6273 118.0796 44.21935 88.71393 29.53751 29.36565       53.17721 
1 1 1 -11 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 1   3  o 215.6496 10.08305 1119.817       103.6680 1119.817       103.6680 0.000000       0.000000 215.6496 10.08305 ?        ?        0.000000       10.08305 
1 1 1 -11 1   4  o 264.8163 7.075829 1682.017       89.50373 1706.763       131.9512 1660.928       121.8108 266.2448 10.38623 262.7590 9.713328 3.485748       14.22050 
1 1 1 -11 1   5  o 297.9145 7.285016 2127.912       103.7601 2391.742       162.0713 1944.669       135.0696 315.1081 10.77401 284.2615 9.954099 30.84656       14.66845 
1 1 1 -11 1   6  o 369.1098 7.390744 3267.391       130.4224 3551.336       199.2881 3054.673       172.4907 383.9405 10.86792 356.2420 10.13804 27.69849       14.86242 
1 1 1 -11 1   7  o 144.0289 9.937787 501.3013       68.01067 558.7325       129.1594 479.2684       79.99979 150.2502 18.36158 140.4548 12.02934 9.795380       21.95114 
1 1 1 -11 1   8  o 132.8322 10.72614 427.7363       67.53810 498.3761       141.8655 407.0343       76.79962 140.6716 21.79891 129.2112 12.59184 11.46046       25.17433 
1 1 1 -11 1   9  o 135.4302 11.80492 446.0267       75.67102 474.8175       157.3680 437.3676       86.30356 136.0187 25.12499 133.7063 13.69434 2.312363       28.61468 
1 1 1 -11 1   10 o 70.55859 19.80052 125.9820       69.50195 376.8972       160.7534 68.29589       77.07835 119.7818 28.48879 57.97853 21.25660 61.80323       35.54510 
1 1 1 -11 1   11 o 173.5881 11.24357 730.2613       92.80890 796.0558       149.2778 688.8052       118.4935 179.5581 17.61577 167.6877 14.93652 11.87035       23.09578 
1 1 1 -11 1   12 o 107.7079 18.91795 292.8607       93.86320 325.4560       195.3985 283.0830       107.0194 110.7611 33.80774 105.0032 22.02261 5.757927       40.34797 
1 1 1 -11 1   13 o 242.4742 13.44860 1431.089       155.2910 1171.477       245.0203 1605.384       200.7623 214.9324 24.26861 255.7228 16.50940 -40.79034      29.35176 
1 1 1 -11 1   14 o 52.04913 22.79926 -16.48625      108.2901 322.1676       193.9894 -169.7880      130.5190 109.7447 33.72137 44.73949 21.42168 65.00517       39.95021 
1 1 1 -11 1   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 1   16 o 81.01588 23.98086 169.4789       99.43141 256.7283       215.7927 145.9620       112.0331 100.5993 35.73900 77.02394 25.82239 23.57538       44.09163 
1 1 1 -11 1   17 o 152.7300 16.94814 581.0895       121.6718 640.7396       236.6537 559.6565       141.8567 152.5172 33.38389 148.4840 20.53191 4.033173       39.19239 
1 1 1 -11 1   18 o 188.4276 18.35100 887.5014       163.2231 802.2086       260.6742 942.5098       209.3418 171.1139 33.06096 191.7572 23.31318 -20.64331      40.45406 
1 1 1 -11 1   19 f 172.5464 20.45870 754.7544       165.4883 756.0593       261.9427 753.8875       213.4911 164.7522 34.36935 168.8260 27.38805 -4.073807      43.94722 
1 1 1 -11 1   20 o 62.51902 24.82431 64.33669       110.7324 286.1931       248.7001 9.480436       123.6668 103.8703 38.16589 57.84659 24.85258 46.02376       45.54433 
1 1 1 -11 1   21 o 143.3389 22.11815 535.8138       146.7015 223.9583       443.6470 574.0996       155.4460 107.2303 46.57129 148.1646 22.66382 -40.93434      51.79318 
1 1 1 -11 1   22 o 102.0883 28.08123 290.5041       141.3266 233.0050       466.2571 296.3213       148.3034 107.1084 47.10035 102.7814 28.95226 4.327019       55.28722 
1 1 1 -11 1   23 o 219.2744 17.06722 1213.614       177.5119 1440.501       330.7869 1121.849       210.3684 225.7202 31.51033 207.6098 21.50562 18.11038       38.14961 
1 1 1 -11 1   24 o 132.3140 24.23713 477.9347       147.6705 801.1503       315.4251 387.2080       167.1158 154.5809 41.71965 115.0439 30.05806 39.53695       51.41999 
1 1 1 -11 1   25 o 90.07677 29.01010 239.7499       141.9581 413.6732       315.4489 195.5828       158.9642 107.5352 42.14517 83.19575 30.52249 24.33945       52.03688 
1 1 1 -11 1   26 o 175.5108 22.90105 850.7985       187.5832 682.8033       560.3816 871.9981       199.0674 114.2664 50.87017 176.3240 24.25670 -62.05759      56.35744 
1 1 1 -11 1   27 o 145.5060 26.56993 628.1370       178.0245 364.3662       576.1346 655.9803       187.1848 96.19828 45.76746 147.7380 27.51361 -51.53974      53.40093 
1 1 1 -11 1   28 o 93.41741 35.60896 337.6855       220.6321 481.6965       362.2701 252.7758       278.1720 98.19699 42.36564 84.33057 36.74821 13.86642       56.08278 
1 1 1 -11 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 2   4  o 132.1143 10.65365 422.8247       66.72079 422.8247       66.72079 0.000000       0.000000 132.1143 10.65365 ?        ?        0.000000       10.65365 
1 1 1 -11 2   5  o 112.8111 8.359557 307.2440       44.76582 327.8053       77.49273 296.9459       54.84225 115.4880 14.34326 110.5746 10.49997 4.913406       17.77579 
1 1 1 -11 2   6  o 255.7764 7.401882 1570.991       90.41779 1675.170       135.7405 1487.899       121.2269 263.4630 10.79948 248.3980 10.22994 15.06496       14.87550 
1 1 1 -11 2   7  o 206.7055 8.099079 1027.698       79.88306 1018.903       126.4620 1033.537       103.0441 204.8325 12.98053 206.8708 10.45262 -2.038284      16.66587 
1 1 1 -11 2   8  o 53.28260 15.75357 70.21127       42.92955 46.68009       66.31869 87.18305       56.32198 51.30863 19.53123 59.49268 18.14912 -8.184048      26.66195 
1 1 1 -11 2   9  o 208.5137 9.431174 1048.493       93.77415 1034.991       159.9853 1055.559       115.7408 205.3499 16.43289 208.7405 11.64383 -3.390594      20.13998 
1 1 1 -11 2   10 o 81.06161 18.89721 167.7028       71.87865 257.5434       144.2561 138.0309       82.90298 99.28696 28.74700 73.93320 21.90043 25.35376       36.13889 
1 1 1 -11 2   11 o 307.2152 9.067024 2273.356       133.0272 2519.264       220.5504 2132.738       166.7801 321.6008 14.38078 296.7776 11.77790 24.82312       18.58832 
1 1 1 -11 2   12 o 133.4818 11.85172 434.3662       74.84769 573.5219       131.7025 367.9820       90.96535 151.6195 18.55522 121.7506 16.01576 29.86890       24.51124 
1 1 1 -11 2   13 f 75.65716 23.32293 144.4784       92.70512 385.0877       205.2106 82.78301       103.9130 118.9131 34.24355 65.02482 24.51746 53.88824       42.11563 
1 1 1 -11 2   14 o 222.2394 11.50507 1198.870       121.8253 1632.862       208.3942 973.5535       150.1554 257.2437 17.04070 198.7865 15.93289 58.45712       23.32901 
1 1 1 -11 2   15 o 52.44555 22.53483 2.013335       101.6989 0.000000       0.000000 2.013335       101.6989 ?        ?        52.44555 22.53483 0.000000       22.53483 
1 1 1 -11 2   16 o 299.6022 13.05441 2189.479       186.5379 2543.359       307.2267 1982.845       234.7645 318.5589 20.27782 282.8665 17.44458 35.69241       26.74890 
1 1 1 -11 2   17 o 102.7118 30.36271 285.4553       159.4813 400.8637       285.0991 232.8953       192.3998 119.1893 41.17147 95.63123 33.76798 23.55807       53.24816 
1 1 1 -11 2   18 o 143.9539 26.03840 547.0490       172.6084 863.5536       308.5025 402.8180       208.2561 173.4425 38.23543 119.7336 34.50190 53.70883       51.50077 
1 1 1 -11 2   19 o 315.9709 15.44936 2464.459       232.6737 2309.437       353.6994 2582.719       308.9269 298.3387 25.02850 319.8551 20.30684 -21.51645      32.23032 
1 1 1 -11 2   20 o 64.22281 24.74064 81.32037       107.2649 -96.92833      192.1279 162.0405       129.2910 61.32816 28.26585 79.89520 27.71926 -18.56705      39.58934 
1 1 1 -11 2   21 o 50.53328 22.50026 -24.40930      109.6733 -172.0215      199.4138 39.60161       131.3171 57.68009 27.29097 62.19077 26.11578 -4.510677      37.77342 
1 1 1 -11 2   22 o 48.82093 22.24254 -51.22432      114.4358 -291.3981      209.3307 51.14599       136.6650 53.28444 25.90444 64.16171 26.77154 -10.87727      37.25259 
1 1 1 -11 2   23 o 105.8831 26.02148 313.3754       130.7711 398.3724       227.1376 271.2321       159.9380 112.9704 36.72138 96.80102 30.75268 16.16938       47.89767 
1 1 1 -11 2   24 o 112.8348 31.55039 389.5655       176.8002 321.3282       240.5092 469.7941       260.7866 100.1961 37.39951 116.8026 39.39884 -16.60652      54.32303 
1 1 1 -11 2   25 o 69.11816 31.25459 13.54842       220.8240 98.10078       406.7180 -21.79512      262.9575 87.03260 40.46431 71.24426 32.91880 15.78834       52.16328 
1 1 1 -11 2   26 o 65.87505 30.54227 -35.39019      229.2533 441.3961       427.9405 -227.2975      271.4984 101.7372 44.91545 61.45985 29.79073 40.27731       53.89699 
1 1 1 -11 2   27 o 78.18160 34.00626 169.9845       237.2891 232.5007       443.4607 144.9042       280.8826 86.43253 40.83582 78.13896 35.29961 8.293571       53.97802 
1 1 1 -11 2   28 o 126.2777 27.23769 507.7457       159.6010 466.8606       287.2143 526.0104       191.9683 98.92706 39.74457 121.3720 32.45484 -22.44495      51.31225 
1 1 1 -11 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 3   5  o 79.28397 8.835613 152.9626       32.92273 234.9624       55.57245 108.6198       40.86620 97.89109 12.13389 65.81156 13.44318 32.07953       18.10940 
1 1 1 -11 3   6  o 201.3396 7.458244 974.4294       71.66762 958.3071       103.8229 989.1040       99.05197 199.0271 10.95344 202.3528 10.27232 -3.325729      15.01661 
1 1 1 -11 3   7  o 427.6046 7.474880 4389.809       152.8111 4476.382       221.6470 4311.381       210.9636 430.8021 10.76157 422.9008 10.43424 7.901276       14.98949 
1 1 1 -11 3   8  o 148.5006 9.757925 533.3948       68.89392 562.5578       110.8223 515.0252       87.95499 151.2026 15.55213 145.2961 12.79236 5.906433       20.13736 
1 1 1 -11 3   9  o 290.9814 8.212307 2036.853       114.1312 1955.175       173.5221 2099.129       151.5180 283.7943 12.82230 294.7339 10.77102 -10.93958      16.74593 
1 1 1 -11 3   10 o 276.7708 8.624442 1844.659       113.9801 1942.814       177.4121 1775.670       148.7372 282.6832 13.16343 270.7622 11.51638 11.92096       17.49008 
1 1 1 -11 3   11 o 106.3618 16.01460 282.3583       78.91112 505.6116       143.1340 184.8722       94.58351 140.9578 21.95431 84.52509 22.85968 56.43272       31.69474 
1 1 1 -11 3   12 o 181.9988 11.40476 804.5540       98.73578 761.1340       150.4871 837.3733       130.8335 174.8416 18.27252 184.6570 14.94757 -9.815338      23.60751 
1 1 1 -11 3   13 o 161.3919 14.05256 639.5013       107.3490 580.3525       192.1922 666.3220       129.4187 148.0457 28.18303 163.8779 16.75392 -15.83226      32.78684 
1 1 1 -11 3   14 f 99.45892 18.29357 251.8228       83.78181 153.0834       206.1662 271.3546       91.69468 87.13560 34.09472 103.0100 19.32878 -15.87436      39.19250 
1 1 1 -11 3   15 o 243.4722 14.42238 1454.634       167.1261 2023.001       308.1901 1217.869       198.9133 281.8748 23.07104 220.5683 19.04958 61.30653       29.91921 
1 1 1 -11 3   16 o 126.3780 22.18244 413.0063       129.1396 408.5081       186.9853 417.1086       178.5674 121.6362 31.80179 123.4691 30.44542 -1.832840      44.02587 
1 1 1 -11 3   17 o 75.99790 29.59378 112.9974       154.7203 -435.7083      305.1183 302.9244       179.5113 63.94781 31.13060 105.0938 32.46468 -41.14597      44.97855 
1 1 1 -11 3   18 o 306.2321 14.45035 2307.100       210.9652 2570.358       322.0368 2109.187       279.2224 318.0967 21.29843 288.7801 20.35476 29.31668       29.46081 
1 1 1 -11 3   19 f 111.7783 23.81453 333.8456       123.3666 -179.5724      340.2273 411.5683       132.3755 77.41484 36.32368 124.8080 23.03321 -47.39313      43.01091 
1 1 1 -11 3   20 o 120.9577 23.25970 390.0986       129.6232 393.0743       359.3564 389.6535       138.9795 114.1990 44.91484 119.9569 25.04353 -5.757935      51.42491 
1 1 1 -11 3   21 o 286.3369 14.96277 2041.796       204.1213 2467.426       324.6736 1763.603       262.4846 307.6113 22.22670 260.8277 21.23301 46.78360       30.73869 
1 1 1 -11 3   22 o 204.9892 18.82315 1079.866       182.4148 1392.819       275.6311 835.9731       243.3257 226.2776 25.94762 170.5384 30.98497 55.73918       40.41469 
1 1 1 -11 3   23 o 83.75460 31.29766 193.1493       168.5265 222.2223       246.7353 167.7250       230.7336 90.29810 36.63695 84.33273 34.95288 5.965370       50.63566 
1 1 1 -11 3   24 o 72.68282 30.22794 110.7330       173.4062 464.7735       256.1364 -188.8463      235.6138 113.5564 39.03251 59.61107 28.60562 53.94531       48.39233 
1 1 1 -11 3   25 o 79.94717 29.29743 188.3913       146.3948 408.4540       268.3826 95.18044       174.6684 104.0219 39.36160 70.24116 29.83797 33.78071       49.39271 
1 1 1 -11 3   26 f 136.9105 23.52781 541.9921       148.4534 977.3453       293.8521 392.8022       172.0195 162.8186 38.38090 107.9808 31.42907 54.83784       49.60726 
1 1 1 -11 3   27 o 84.73681 28.86000 242.4406       139.9543 500.9681       295.6087 167.7498       158.8903 101.6114 40.49027 73.60571 29.56485 28.00570       50.13524 
1 1 1 -11 4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 4   5  o 37.55609 11.74965 33.79330       23.43136 39.85226       35.33782 29.03928       31.30193 42.26891 14.49915 37.71065 13.58670 4.558258       19.87017 
1 1 1 -11 4   6  o 235.2580 7.341187 1330.136       82.46835 1225.202       116.8218 1434.377       116.4349 225.0479 10.89009 243.7594 10.01241 -18.71152      14.79333 
1 1 1 -11 4   7  o 73.03632 12.18068 132.4528       41.03522 173.6285       62.09751 100.5336       54.67389 82.95152 16.23969 63.07833 17.51074 19.87320       23.88208 
1 1 1 -11 4   8  o 152.2719 9.127697 560.2964       66.14412 537.1744       97.61965 579.9218       89.93588 148.0163 13.95980 154.2609 12.29634 -6.244598      18.60312 
1 1 1 -11 4   9  o 143.0813 10.86965 497.3943       73.79812 519.3790       115.5821 482.2633       95.88786 144.5822 17.04863 139.9878 14.53882 4.594360       22.40610 
1 1 1 -11 4   10 o 138.7059 11.02572 468.0268       72.51442 359.2146       126.8284 520.8730       88.38627 117.7663 23.35128 145.9518 12.79613 -28.18546      26.62749 
1 1 1 -11 4   11 o 168.3169 11.90146 690.1168       95.15398 733.4424       149.6009 660.6797       123.3130 171.3332 18.55952 163.4476 15.98464 7.885559       24.49417 
1 1 1 -11 4   12 o 90.57043 21.00662 212.8308       89.19234 249.8500       147.1892 191.3493       112.1230 96.93444 29.29210 85.66756 25.49238 11.26688       38.83154 
1 1 1 -11 4   13 o 115.8942 19.08561 341.6405       102.0711 334.3494       166.0766 346.0665       129.3945 110.7699 30.42977 114.7248 24.34565 -3.954987      38.97026 
1 1 1 -11 4   14 o 94.85670 23.93811 237.6428       108.5448 375.6642       182.7204 162.3740       134.9340 116.6407 31.86823 81.32830 28.31182 35.31239       42.62796 
1 1 1 -11 4   15 o 163.6216 14.28835 659.8056       110.6513 730.6240       173.8162 611.5497       143.4804 168.9245 22.04800 155.3744 19.76198 13.55009       29.60828 
1 1 1 -11 4   16 o 186.3895 14.06821 855.1061       124.4373 1050.412       195.6200 722.3621       161.2734 203.6394 20.36585 168.5305 20.43277 35.10892       28.84902 
1 1 1 -11 4   17 o 64.69201 24.70299 83.70493       106.3020 -233.8817      282.1296 136.2514       114.7596 68.19630 32.32402 74.67073 26.10211 -6.474426      41.54711 
1 1 1 -11 4   18 o 140.8574 20.12606 511.7931       131.6850 704.3798       319.3582 472.3403       144.5453 148.7174 42.68524 133.5125 23.50308 15.20491       48.72807 
1 1 1 -11 4   19 o 308.6725 15.11778 2369.050       222.4187 2440.791       337.0956 2313.738       295.9927 305.4522 23.25835 299.9803 20.76676 5.471893       31.18027 
1 1 1 -11 4   20 o 104.5071 26.44142 304.0280       132.1922 -162.6080      359.7150 376.8867       142.1380 78.52431 37.00150 116.7800 26.11436 -38.25568      45.28875 
1 1 1 -11 4   21 o 190.2379 19.94206 939.9412       178.6816 1100.044       260.2527 797.1761       245.7578 198.5706 28.20654 165.0194 32.30723 33.55121       42.88783 
1 1 1 -11 4   22 o 161.7556 23.94307 717.3917       179.5753 684.7625       261.6592 746.4434       246.8988 144.5898 37.52925 155.1774 34.20289 -10.58763      50.77679 
1 1 1 -11 4   23 o 121.6648 35.29070 494.9373       217.2233 334.8708       426.1692 551.1202       252.4839 99.14565 44.23586 124.6497 38.50122 -25.50407      58.64431 
1 1 1 -11 4   24 o 56.60762 25.06162 9.713671       134.1363 418.7856       310.3306 -84.27190      148.7495 102.9708 41.33243 51.41405 24.08994 51.55679       47.84031 
1 1 1 -11 4   25 o 69.17168 27.48535 125.2359       135.8368 -108.8437      278.4563 198.3349       155.6077 65.57210 31.36762 79.80364 30.02135 -14.23154      43.41899 
1 1 1 -11 4   26 o 65.53632 29.56601 58.68085       196.2674 111.2588       288.1241 13.16185       268.0859 74.31468 34.37999 68.13066 32.05405 6.184021       47.00474 
1 1 1 -11 5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 5   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 5   5  o 135.0463 10.63205 442.9847       68.09160 0.000000       0.000000 442.9847       68.09160 ?        ?        135.0463 10.63205 0.000000       10.63205 
1 1 1 -11 5   6  o 225.4827 5.905486 1220.060       63.60675 1277.731       111.0967 1191.937       77.58053 229.9031 10.13249 222.6402 7.298406 7.262878       12.48736 
1 1 1 -11 5   7  o 69.65082 14.90597 122.7052       48.13654 121.8264       63.43261 123.8984       73.91379 69.09947 18.73445 69.94435 20.66885 -0.8448792     27.89590 
1 1 1 -11 5   8  o 75.34515 15.99264 144.1013       55.82410 89.10496       83.30446 188.9282       75.20913 62.91263 22.21920 85.84802 18.84252 -22.93539      29.13303 
1 1 1 -11 5   9  o 307.1303 8.049715 2271.423       118.0965 2543.396       165.8456 1991.651       168.2067 324.1092 10.71771 286.1695 12.32340 37.93967       16.33204 
1 1 1 -11 5   10 o 91.29155 16.70649 211.0659       70.23001 228.8928       96.81393 191.2656       102.0318 93.69280 21.99280 85.50943 23.98900 8.183372       32.54466 
1 1 1 -11 5   11 f 36.50398 16.49981 -30.27466      61.46621 98.69617       115.7273 -80.95363      72.54443 68.97915 25.90263 34.76374 16.45189 34.21541       30.68568 
1 1 1 -11 5   12 o 62.89534 22.82458 86.57793       88.53972 275.3409       134.1927 -58.94804      117.8259 101.2747 27.15908 49.67582 22.60779 51.59889       35.33735 
1 1 1 -11 5   13 o 210.2645 12.10163 1078.400       121.1378 1101.590       180.3656 1059.343       163.5026 209.9506 18.14716 206.5450 16.70006 3.405655       24.66194 
1 1 1 -11 5   14 o 69.14125 22.52884 119.1497       85.46542 76.16798       106.6901 196.1285       142.7801 63.78893 24.64751 87.13992 29.15033 -23.35099      38.17383 
1 1 1 -11 5   15 o 122.6507 26.10637 403.3944       148.3802 323.9174       232.7768 457.7901       192.5756 107.7830 37.20350 127.9990 31.64941 -20.21597      48.84450 
1 1 1 -11 5   16 o 201.5893 17.53346 1021.547       167.3039 1253.047       263.3939 864.9768       216.6138 217.5270 25.83077 180.3367 25.86359 37.19025       36.55344 
1 1 1 -11 5   17 o 68.27779 26.32297 96.34142       121.4909 150.1335       152.8689 4.114014       200.1658 79.45500 29.78427 69.72650 30.75356 9.728500       42.81219 
1 1 1 -11 5   18 o 55.38828 23.72602 15.36977       112.0897 172.9069       270.6223 -17.25319      123.1498 90.79575 37.76169 54.08127 23.97464 36.71448       44.72951 
1 1 1 -11 5   19 o 80.20358 27.09402 171.9255       123.3293 -73.47394      289.2526 226.4496       136.3436 75.03945 34.62003 89.98538 28.36968 -14.94593      44.75919 
1 1 1 -11 5   20 o 218.9480 15.34580 1205.865       159.6174 1216.759       245.4370 1197.880       210.1214 211.9463 24.68314 213.8731 20.81264 -1.926788      32.28658 
1 1 1 -11 5   21 o 139.5477 25.15050 545.8461       161.6233 785.7808       214.7010 232.0651       245.5279 165.0150 28.22858 90.50800 36.61069 74.50695       46.22981 
1 1 1 -11 5   22 o 82.20602 33.25461 185.8341       202.5909 194.2342       349.0598 181.5672       248.7797 88.95162 39.83609 83.91133 35.62600 5.040291       53.44273 
1 1 1 -11 5   23 f 97.14246 27.19017 287.3562       131.2388 445.6135       227.7635 208.6964       160.5752 110.9669 36.80965 82.68018 30.61665 28.28676       47.87828 
1 1 1 -11 5   24 o 50.75782 23.26381 -32.83419      127.6576 240.1394       228.4232 -156.8145      153.9417 84.70273 34.91004 47.17245 22.75967 37.53028       41.67389 
1 1 1 -11 5   25 o 55.87476 27.09696 -164.9343      225.3415 211.1489       415.4264 -321.7243      268.2324 81.72706 38.87717 54.96675 27.22867 26.76031       47.46404 
1 1 1 -11 6   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 6   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 6   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 6   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 6   5  o 64.57328 10.27508 103.1423       30.65915 0.000000       0.000000 103.1423       30.65915 ?        ?        64.57328 10.27508 0.000000       10.27508 
1 1 1 -11 6   6  o 141.3931 8.110136 482.7184       54.59326 0.000000       0.000000 482.7184       54.59326 ?        ?        141.3931 8.110136 0.000000       8.110136 
1 1 1 -11 6   7  f 198.3194 6.507903 945.4779       61.62063 967.9543       112.1314 935.7535       73.75584 199.3961 11.81555 197.0456 7.844953 2.350494       14.18275 
1 1 1 -11 6   8  o 66.49267 17.57222 113.2068       56.69378 163.6707       75.86371 49.37661       85.32124 79.49238 19.98578 55.56871 21.87629 23.92367       29.63112 
1 1 1 -11 6   9  o 145.6742 11.10790 517.2993       76.77779 552.0363       103.6047 474.9839       114.3491 149.4617 14.68866 137.4654 17.81806 11.99626       23.09199 
1 1 1 -11 6   10 o 99.96935 16.72002 252.6774       77.09209 248.9616       105.5568 256.9251       112.8585 97.26438 23.05392 98.51794 24.15102 -1.253563      33.38795 
1 1 1 -11 6   11 o 69.10935 21.10799 121.4660       76.15370 22.51254       99.89756 258.7509       117.6659 54.51328 22.82747 98.62037 24.94327 -44.10709      33.81213 
1 1 1 -11 6   12 o 143.0201 12.69596 502.3372       85.90919 482.7731       107.6987 536.5643       142.4509 138.9111 16.54134 144.5800 21.24146 -5.668900      26.92239 
1 1 1 -11 6   13 o 142.6809 15.99707 508.4922       107.2457 493.4580       149.9081 524.2538       153.4921 137.1709 23.71666 141.5833 23.49946 -4.412460      33.38719 
1 1 1 -11 6   14 o 157.0073 16.86159 619.4437       124.5879 507.5987       178.9426 724.6711       173.5682 136.0918 28.42109 167.1006 22.28096 -31.00879      36.11371 
1 1 1 -11 6   15 o 286.0888 13.94180 2021.308       190.1158 1713.994       264.9412 2347.523       272.9673 257.5709 21.71729 304.4029 18.84904 -46.83200      28.75633 
1 1 1 -11 6   16 o 93.81380 32.16011 245.1122       173.8490 124.8176       270.7907 329.4597       226.7497 87.05236 37.07161 105.6635 36.70609 -18.61112      52.16935 
1 1 1 -11 6   17 o 84.70512 29.00181 194.3540       141.3690 195.8737       177.2081 191.6939       234.4509 86.51784 32.13981 89.50573 35.92630 -2.987892      48.20443 
1 1 1 -11 6   18 o 212.7119 17.68677 1153.573       178.2401 1150.370       241.1375 1157.432       264.6373 206.3064 24.95455 204.2028 27.83052 2.103607       37.38004 
1 1 1 -11 6   19 o 68.19110 25.20941 113.0641       108.7848 -82.03510      169.5735 249.5113       141.8118 56.73843 26.29284 92.65936 28.89304 -35.92092      39.06560 
1 1 1 -11 6   20 o 154.3237 22.15547 648.9297       158.7829 727.4114       204.8386 530.7772       251.3327 157.9331 28.16175 123.3817 38.46334 34.55141       47.67088 
1 1 1 -11 6   21 o 100.8552 30.23681 321.1597       157.2893 314.3401       199.7524 332.2878       255.1678 96.80416 34.38565 97.11225 37.95049 -0.3080902     51.21145 
1 1 1 -11 6   22 o 64.29755 27.09461 75.58536       142.1231 495.2800       337.9464 -14.59124      156.6492 106.4869 42.99564 57.60452 26.15793 48.88242       50.32755 
1 1 1 -11 6   23 o 87.53606 31.55563 261.9662       168.8763 218.4817       213.9052 333.9158       275.1495 81.70300 33.73883 91.62247 38.08844 -9.919472      50.88259 
1 1 1 -11 6   24 o 84.64892 34.76022 280.2783       225.3862 488.7678       374.1119 161.4923       282.3852 94.04688 41.73399 76.02100 34.75132 18.02588       54.30820 
1 1 1 -11 7   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 7   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 7   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 7   4  o 139.1083 7.916306 467.2863       52.43091 0.000000       0.000000 467.2863       52.43091 ?        ?        139.1083 7.916306 0.000000       7.916306 
1 1 1 -11 7   5  o 53.14706 12.59025 71.43464       31.49584 0.000000       0.000000 71.43464       31.49584 ?        ?        53.14706 12.59025 0.000000       12.59025 
1 1 1 -11 7   6  o 184.7976 7.673423 823.3020       67.64691 0.000000       0.000000 823.3020       67.64691 ?        ?        184.7976 7.673423 0.000000       7.673423 
1 1 1 -11 7   7  o 222.0453 7.827809 1188.520       82.96796 0.000000       0.000000 1188.520       82.96796 ?        ?        222.0453 7.827809 0.000000       7.827809 
1 1 1 -11 7   8  o 240.2024 6.589623 1387.364       75.60242 1402.373       135.6914 1380.607       91.04313 239.9317 11.86605 239.2918 7.969246 0.6398773      14.29377 
1 1 1 -11 7   9  o 149.9669 11.01261 548.3931       78.40701 522.9435       97.83153 594.0955       131.1017 145.4650 14.24996 153.6227 18.20362 -8.157730      23.11780 
1 1 1 -11 7   10 o 135.4269 11.37357 448.6115       72.95963 372.4141       98.24913 542.2897       108.9377 121.4040 17.42615 147.5723 15.68039 -26.16829      23.44238 
1 1 1 -11 7   11 f 100.5787 20.13314 262.9360       93.43064 183.6324       125.8816 360.2065       139.4140 83.77837 27.34457 115.6551 25.86299 -31.87675      37.63801 
1 1 1 -11 7   12 o 126.1055 17.12012 402.9801       100.5533 355.5827       133.2561 465.6560       153.2356 114.8703 24.97790 131.7309 25.24988 -16.86057      35.51693 
1 1 1 -11 7   13 o 99.59780 14.59344 249.8601       67.42793 192.4064       89.07030 326.9831       103.1967 84.93289 21.82049 112.0037 20.00611 -27.07085      29.60369 
1 1 1 -11 7   14 o 52.37071 20.21913 51.00003       71.75378 33.69522       80.39783 118.7427       159.0714 51.12339 20.84971 75.50249 29.82504 -24.37910      36.39015 
1 1 1 -11 7   15 o 127.7348 18.12371 419.9908       107.5753 490.4477       118.5837 92.49089       255.6636 138.0292 18.43006 82.40449 35.57146 55.62472       40.06240 
1 1 1 -11 7   16 o 44.43057 20.93938 -103.4573      115.2788 176.3964       178.4090 -304.0460      151.0443 83.63558 31.98649 41.52821 20.54672 42.10737       38.01714 
1 1 1 -11 7   17 o 179.1122 21.40052 849.4646       179.6339 1104.398       233.5638 480.3030       281.0608 201.2955 24.79287 118.7799 40.88528 82.51553       47.81519 
1 1 1 -11 7   18 o 118.3905 31.86100 433.8389       184.2828 393.5106       243.7052 487.6903       281.6168 107.6979 38.00666 116.3845 40.87408 -8.686600      55.81395 
1 1 1 -11 7   19 o 137.8236 25.60051 546.3502       162.4783 619.8746       295.3726 514.4501       194.5586 126.6495 41.91508 127.3902 31.99337 -0.7406464     52.72997 
1 1 1 -11 7   20 o 74.32870 30.00140 142.9780       164.4839 210.3315       196.5781 -14.27507      300.3686 83.35249 33.08236 73.31727 34.31375 10.03522       47.66420 
1 1 1 -11 7   21 o 64.55811 28.01686 63.64509       160.3082 -23.75791      357.1775 85.69271       179.3915 75.21449 35.85489 68.50578 29.68423 6.708710       46.54811 
1 1 1 -11 7   22 o 70.62983 32.33895 74.93644       245.8463 -6.867994      412.2941 120.0708       306.2474 75.33773 36.56300 76.15789 35.30655 -0.8201599     50.82721 
1 1 1 -11 7   23 o 84.65460 33.63680 283.0895       203.4398 427.1384       264.9533 76.17058       317.5519 94.83290 38.14767 71.86703 34.13042 22.96587       51.18721 
1 1 1 -11 8   1  o 207.4427 7.761988 1037.238       76.84451 0.000000       0.000000 1037.238       76.84451 ?        ?        207.4427 7.761988 0.000000       7.761988 
1 1 1 -11 8   2  o 217.1001 7.578940 1135.553       78.54348 0.000000       0.000000 1135.553       78.54348 ?        ?        217.1001 7.578940 0.000000       7.578940 
1 1 1 -11 8   3  o 82.70991 10.81912 168.4634       41.75705 0.000000       0.000000 168.4634       41.75705 ?        ?        82.70991 10.81912 0.000000       10.81912 
1 1 1 -11 8   4  o 170.8931 8.248038 705.4013       67.18919 0.000000       0.000000 705.4013       67.18919 ?        ?        170.8931 8.248038 0.000000       8.248038 
1 1 1 -11 8   5  o 216.2885 7.912867 1128.328       81.68513 0.000000       0.000000 1128.328       81.68513 ?        ?        216.2885 7.912867 0.000000       7.912867 
1 1 1 -11 8   6  o 146.7910 9.413625 522.9008       65.71574 0.000000       0.000000 522.9008       65.71574 ?        ?        146.7910 9.413625 0.000000       9.413625 
1 1 1 -11 8   7  o 80.56126 11.79654 161.1252       44.08874 0.000000       0.000000 161.1252       44.08874 ?        ?        80.56126 11.79654 0.000000       11.79654 
1 1 1 -11 8   8  o 124.5919 10.14275 378.7768       59.89406 0.000000       0.000000 378.7768       59.89406 ?        ?        124.5919 10.14275 0.000000       10.14275 
1 1 1 -11 8   9  o 200.5235 7.327819 970.2489       70.13219 888.1567       121.6226 1011.143       85.84113 189.7208 13.49696 204.2901 8.809712 -14.56929      16.11766 
1 1 1 -11 8   10 o 116.0430 9.827588 329.1006       54.01012 330.3731       98.49629 328.5535       64.58601 113.1074 18.87969 115.3713 11.87892 -2.263908      22.30586 
1 1 1 -11 8   11 o 46.40225 19.64218 11.74151       75.24515 135.1701       86.14005 -385.7113      154.5753 71.91797 22.53247 39.42376 19.71133 32.49421       29.93741 
1 1 1 -11 8   12 o 91.18405 20.97647 221.7006       89.53988 159.6128       105.2682 384.1623       170.2823 77.45922 24.98459 115.4580 30.42638 -37.99881      39.36997 
1 1 1 -11 8   13 o 221.9243 13.02175 1218.363       137.5530 1290.727       182.3218 1122.751       209.5708 225.8008 17.01420 207.1564 21.47139 18.64435       27.39532 
1 1 1 -11 8   14 o 229.8288 14.81187 1321.857       161.8840 1613.748       231.6707 1043.340       226.3010 250.0089 19.53744 196.5462 24.62195 53.46269       31.43170 
1 1 1 -11 8   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 8   16 o 202.3469 17.55647 1059.212       168.1617 952.4760       217.4587 1217.989       265.2244 184.6464 25.29803 206.3685 27.57121 -21.72214      37.41874 
1 1 1 -11 8   17 o 77.19011 29.75000 161.8535       155.1510 162.1895       193.2025 161.2433       260.3581 79.27611 32.32485 82.90917 35.84325 -3.633064      48.26629 
1 1 1 -11 8   18 o 196.0421 16.87444 1004.199       156.6190 975.3270       187.0358 1071.953       286.5175 188.8455 21.07499 180.9265 34.38038 7.919006       40.32574 
1 1 1 -11 8   19 o 180.4164 22.82011 918.7450       192.4389 839.4529       243.8056 1049.785       313.4229 159.8699 32.99295 168.9188 39.51680 -9.048950      51.47924 
1 1 1 -11 8   20 o 82.26449 32.78662 227.8031       193.8583 263.6152       250.1139 173.9169       306.8043 85.54775 35.99028 80.17211 36.48464 5.375641       51.24870 
1 1 1 -11 8   21 o 59.92646 26.64709 45.68719       153.3020 -17.71908      266.9331 76.89322       187.2645 65.81087 31.26519 65.61969 29.29730 0.1911850      42.84675 
1 1 1 -11 9   1  o 47.22258 16.64010 49.45429       46.70185 0.000000       0.000000 49.45429       46.70185 ?        ?        47.22258 16.64010 0.000000       16.64010 
1 1 1 -11 9   2  o 137.1872 10.09494 458.5923       65.74663 0.000000       0.000000 458.5923       65.74663 ?        ?        137.1872 10.09494 0.000000       10.09494 
1 1 1 -11 9   3  o 32.92648 13.84634 4.700646       36.99500 0.000000       0.000000 4.700646       36.99500 ?        ?        32.92648 13.84634 0.000000       13.84634 
1 1 1 -11 9   4  o 26.76927 12.43228 -32.28184      38.23057 0.000000       0.000000 -32.28184      38.23057 ?        ?        26.76927 12.43228 0.000000       12.43228 
1 1 1 -11 9   5  o 121.1330 11.11789 360.3011       63.66876 0.000000       0.000000 360.3011       63.66876 ?        ?        121.1330 11.11789 0.000000       11.11789 
1 1 1 -11 9   6  o 38.52772 14.83567 25.44537       38.55821 0.000000       0.000000 25.44537       38.55821 ?        ?        38.52772 14.83567 0.000000       14.83567 
1 1 1 -11 9   7  o 98.05714 11.64290 238.0462       53.51770 0.000000       0.000000 238.0462       53.51770 ?        ?        98.05714 11.64290 0.000000       11.64290 
1 1 1 -11 9   8  o 107.1674 10.90754 282.8646       55.10733 0.000000       0.000000 282.8646       55.10733 ?        ?        107.1674 10.90754 0.000000       10.90754 
1 1 1 -11 9   9  o 140.0027 11.18356 481.9557       74.23380 0.000000       0.000000 481.9557       74.23380 ?        ?        140.0027 11.18356 0.000000       11.18356 
1 1 1 -11 9   10 o 226.8643 10.24909 1256.884       110.8758 0.000000       0.000000 1256.884       110.8758 ?        ?        226.8643 10.24909 0.000000       10.24909 
1 1 1 -11 9   11 o 146.0271 14.09855 533.7751       97.20498 518.2509       106.6496 609.9617       236.2627 143.0288 15.86292 141.2769 35.12831 1.751968       38.54388 
1 1 1 -11 9   12 o 170.4041 12.87651 721.8223       104.1264 773.2156       127.7322 620.0130       179.7797 174.9689 15.42758 149.4110 26.11844 25.55794       30.33452 
1 1 1 -11 9   13 o 138.4809 17.35437 496.3153       112.3803 455.2557       123.9805 685.4438       266.0876 130.6405 20.52643 143.9868 38.07701 -13.34628      43.25729 
1 1 1 -11 9   14 o 88.85569 27.86880 233.6434       131.7370 241.8975       161.5007 217.2309       227.7343 89.36894 30.98163 87.35140 35.28593 2.017540       46.95698 
1 1 1 -11 9   15 o 141.8781 27.83640 598.0299       182.0680 598.0299       182.0680 0.000000       0.000000 141.8781 27.83640 ?        ?        0.000000       27.83640 
1 1 1 -11 9   16 o 87.20538 29.87217 238.7657       149.9858 49.59463       182.1610 636.9678       264.2895 66.42568 29.31608 130.4007 39.21738 -63.97501      48.96362 
1 1 1 -11 9   17 o 87.24645 31.91060 250.4666       173.5462 109.5190       224.0404 461.9200       274.4130 74.13480 32.62312 106.4171 39.90231 -32.28231      51.54087 
1 1 1 -11 9   18 o 237.5888 15.11924 1469.588       170.8461 1605.269       232.1939 1309.417       252.2798 240.5639 20.38048 208.9116 25.80681 31.65230       32.88397 
1 1 1 -11 9   19 o 63.36221 28.47779 54.38692       180.1474 252.7780       231.0935 -252.9195      287.6156 82.09204 34.56896 58.64751 28.89167 23.44453       45.05266 
1 1 1 -11 9   20 o 60.59819 26.26878 75.01852       140.6044 23.42265       228.2979 106.5492       178.4684 63.80080 29.87775 66.28522 29.14467 -2.484421      41.73837 
1 1 1 -11 10  1  o 62.67346 18.61266 101.3573       59.81843 0.000000       0.000000 101.3573       59.81843 ?        ?        62.67346 18.61266 0.000000       18.61266 
1 1 1 -11 10  2  o 184.6622 9.468085 829.8144       83.30984 0.000000       0.000000 829.8144       83.30984 ?        ?        184.6622 9.468085 0.000000       9.468085 
1 1 1 -11 10  3  o 136.5618 11.40846 458.9397       73.80437 0.000000       0.000000 458.9397       73.80437 ?        ?        136.5618 11.40846 0.000000       11.40846 
1 1 1 -11 10  4  o 68.80772 25.11137 112.5162       107.3820 0.000000       0.000000 112.5162       107.3820 ?        ?        68.80772 25.11137 0.000000       25.11137 
1 1 1 -11 10  5  o 127.4101 12.77932 403.2680       76.79325 0.000000       0.000000 403.2680       76.79325 ?        ?        127.4101 12.77932 0.000000       12.77932 
1 1 1 -11 10  6  o 88.79093 13.26611 198.4798       54.59029 0.000000       0.000000 198.4798       54.59029 ?        ?        88.79093 13.26611 0.000000       13.26611 
1 1 1 -11 10  7  o 69.74518 19.60958 128.8475       68.09985 0.000000       0.000000 128.8475       68.09985 ?        ?        69.74518 19.60958 0.000000       19.60958 
1 1 1 -11 10  8  o 196.2779 10.24239 943.1182       95.78017 0.000000       0.000000 943.1182       95.78017 ?        ?        196.2779 10.24239 0.000000       10.24239 
1 1 1 -11 10  9  o 209.2145 10.12829 1072.319       101.0052 0.000000       0.000000 1072.319       101.0052 ?        ?        209.2145 10.12829 0.000000       10.12829 
1 1 1 -11 10  10 o 78.87403 17.34904 164.7944       63.63931 0.000000       0.000000 164.7944       63.63931 ?        ?        78.87403 17.34904 0.000000       17.34904 
1 1 1 -11 10  11 o 104.1986 15.77702 281.3777       76.13834 0.000000       0.000000 281.3777       76.13834 ?        ?        104.1986 15.77702 0.000000       15.77702 
1 1 1 -11 10  12 o 53.32662 19.38999 67.36558       63.94056 68.28007       98.31011 66.69511       84.17720 58.41788 23.32637 56.09946 21.83325 2.318428       31.95012 
1 1 1 -11 10  13 o 120.4437 11.79370 364.4923       67.04190 305.4629       146.8298 380.0402       75.35557 98.74596 29.11874 122.3370 13.08703 -23.59108      31.92447 
1 1 1 -11 10  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 10  15 o 61.96931 24.50167 91.30700       107.4450 59.34900       164.5575 115.0562       141.8574 64.31032 28.13921 68.19262 27.73851 -3.882301      39.51253 
1 1 1 -11 10  16 o 139.8695 20.36056 549.4911       132.1573 816.7795       190.4420 301.2098       183.5460 165.2315 24.87908 90.89312 32.88000 74.33836       41.23182 
1 1 1 -11 10  17 o 108.7744 29.95205 409.7796       160.6885 428.2075       199.0456 375.2955       272.2851 104.2218 34.40475 90.67107 37.80702 13.55069       51.11808 
1 1 1 -11 10  18 o 49.79014 23.92752 -110.7025      166.2154 -58.63625      201.1538 -222.7736      295.1187 56.81530 27.03415 58.78265 29.01647 -1.967350      39.65855 
1 1 1 -11 11  1  f 202.8154 10.95066 1010.540       105.7879 0.000000       0.000000 1010.540       105.7879 ?        ?        202.8154 10.95066 0.000000       10.95066 
1 1 1 -11 11  2  o 116.7211 17.31890 352.4401       93.71819 0.000000       0.000000 352.4401       93.71819 ?        ?        116.7211 17.31890 0.000000       17.31890 
1 1 1 -11 11  3  o 164.3306 10.73424 664.5917       83.87144 0.000000       0.000000 664.5917       83.87144 ?        ?        164.3306 10.73424 0.000000       10.73424 
1 1 1 -11 11  4  o 154.8275 10.99917 591.7739       80.88709 0.000000       0.000000 591.7739       80.88709 ?        ?        154.8275 10.99917 0.000000       10.99917 
1 1 1 -11 11  5  o 60.56009 18.96631 96.10109       61.03765 0.000000       0.000000 96.10109       61.03765 ?        ?        60.56009 18.96631 0.000000       18.96631 
1 1 1 -11 11  6  o 146.5481 11.32143 533.0186       78.70672 0.000000       0.000000 533.0186       78.70672 ?        ?        146.5481 11.32143 0.000000       11.32143 
1 1 1 -11 11  7  o 240.6978 9.340636 1419.507       107.2832 0.000000       0.000000 1419.507       107.2832 ?        ?        240.6978 9.340636 0.000000       9.340636 
1 1 1 -11 11  8  o 170.1217 11.90349 722.8561       96.20406 0.000000       0.000000 722.8561       96.20406 ?        ?        170.1217 11.90349 0.000000       11.90349 
1 1 1 -11 11  9  o 110.5130 13.26792 310.9673       68.70101 0.000000       0.000000 310.9673       68.70101 ?        ?        110.5130 13.26792 0.000000       13.26792 
1 1 1 -11 11  10 o 207.9017 11.01245 1075.067       109.0682 0.000000       0.000000 1075.067       109.0682 ?        ?        207.9017 11.01245 0.000000       11.01245 
1 1 1 -11 11  11 o 82.67205 19.17977 188.9930       74.33743 0.000000       0.000000 188.9930       74.33743 ?        ?        82.67205 19.17977 0.000000       19.17977 
1 1 1 -11 11  12 f 166.4854 11.84525 698.4473       93.66616 0.000000       0.000000 698.4473       93.66616 ?        ?        166.4854 11.84525 0.000000       11.84525 
1 1 1 -11 11  13 o 88.80609 38.56417 324.2857       304.1208 0.000000       0.000000 324.2857       304.1208 ?        ?        88.80609 38.56417 0.000000       38.56417 
1 1 1 -11 11  14 o 159.3998 10.56645 638.7470       80.06949 835.5857       169.5956 582.2875       90.82970 170.6358 21.24818 150.5033 12.74297 20.13251       24.77637 
1 1 1 -11 11  15 o 49.88169 18.74059 61.22873       60.59413 -51.27412      164.3112 78.93694       65.18877 53.21825 25.05560 54.29765 19.60134 -1.079399      31.81187 
1 1 1 -11 12  1  o 271.3248 9.721072 1809.705       125.8953 0.000000       0.000000 1809.705       125.8953 ?        ?        271.3248 9.721072 0.000000       9.721072 
1 1 1 -11 12  2  o 61.80038 21.81582 98.86610       80.29956 0.000000       0.000000 98.86610       80.29956 ?        ?        61.80038 21.81582 0.000000       21.81582 
1 1 1 -11 12  3  f 99.69481 18.81065 268.6848       86.37074 0.000000       0.000000 268.6848       86.37074 ?        ?        99.69481 18.81065 0.000000       18.81065 
1 1 1 -11 12  4  o 41.79596 18.48523 -7.914644      72.79466 0.000000       0.000000 -7.914644      72.79466 ?        ?        41.79596 18.48523 0.000000       18.48523 
1 1 1 -11 12  5  o 198.4465 10.47001 976.1593       98.98276 0.000000       0.000000 976.1593       98.98276 ?        ?        198.4465 10.47001 0.000000       10.47001 
1 1 1 -11 12  6  o 123.7281 15.86747 400.4805       91.70297 0.000000       0.000000 400.4805       91.70297 ?        ?        123.7281 15.86747 0.000000       15.86747 
1 1 1 -11 12  7  o 88.91443 32.14453 265.3350       175.3926 0.000000       0.000000 265.3350       175.3926 ?        ?        88.91443 32.14453 0.000000       32.14453 
1 1 1 -11 12  8  o 115.4436 16.90490 356.5068       90.53751 0.000000       0.000000 356.5068       90.53751 ?        ?        115.4436 16.90490 0.000000       16.90490 
1 1 1 -11 12  9  f 132.1389 14.73376 456.7411       91.49753 0.000000       0.000000 456.7411       91.49753 ?        ?        132.1389 14.73376 0.000000       14.73376 
1 1 1 -11 12  10 f 161.3732 11.74154 661.1191       89.96705 0.000000       0.000000 661.1191       89.96705 ?        ?        161.3732 11.74154 0.000000       11.74154 
1 1 1 -11 12  11 o 48.50751 18.87377 52.54480       62.89098 0.000000       0.000000 52.54480       62.89098 ?        ?        48.50751 18.87377 0.000000       18.87377 
1 1 1 -11 12  12 o 64.17278 31.32375 -102.9953      314.7804 0.000000       0.000000 -102.9953      314.7804 ?        ?        64.17278 31.32375 0.000000       31.32375 
1 1 1 -11 13  1  o 151.4564 15.28330 601.9641       109.1536 0.000000       0.000000 601.9641       109.1536 ?        ?        151.4564 15.28330 0.000000       15.28330 
1 1 1 -11 13  2  o 92.77747 20.92680 247.7563       90.60438 0.000000       0.000000 247.7563       90.60438 ?        ?        92.77747 20.92680 0.000000       20.92680 
1 1 1 -11 13  3  o 60.67644 20.92598 102.1864       73.63939 0.000000       0.000000 102.1864       73.63939 ?        ?        60.67644 20.92598 0.000000       20.92598 
1 1 1 -11 13  4  o 248.5038 11.02981 1553.417       130.7152 0.000000       0.000000 1553.417       130.7152 ?        ?        248.5038 11.02981 0.000000       11.02981 
1 1 1 -11 13  5  o 53.05996 19.47993 72.05879       64.76706 0.000000       0.000000 72.05879       64.76706 ?        ?        53.05996 19.47993 0.000000       19.47993 
1 1 1 -11 13  6  o 64.08834 22.38465 119.9975       84.38903 0.000000       0.000000 119.9975       84.38903 ?        ?        64.08834 22.38465 0.000000       22.38465 
1 1 1 -10 -23 1  o 99.96609 24.35913 277.0447       115.3354 277.0447       115.3354 0.000000       0.000000 99.96609 24.35913 ?        ?        0.000000       24.35913 
1 1 1 -10 -23 2  o 57.19207 22.00820 66.88064       84.81462 66.88064       84.81462 0.000000       0.000000 57.19207 22.00820 ?        ?        0.000000       22.00820 
1 1 1 -10 -23 3  o 62.76673 19.58516 103.2419       65.14811 208.2356       85.64215 -40.95824      100.3665 87.62258 20.76370 45.83082 20.86093 41.79176       29.43314 
1 1 1 -10 -23 4  o 106.9921 14.79896 292.2273       73.67448 330.4075       99.00509 244.8482       110.2888 111.6019 19.25100 93.13409 24.45974 18.46777       31.12683 
1 1 1 -10 -23 5  o 97.91217 17.72214 252.7590       79.90528 392.9261       117.6453 132.7213       108.8704 120.4673 21.20049 71.03014 25.36897 49.43718       33.06123 
1 1 1 -10 -23 6  o 55.41050 19.42125 75.21916       63.55839 74.13113       80.36676 77.03605       103.8528 57.34370 21.57446 61.07839 24.10760 -3.734684      32.35172 
1 1 1 -10 -22 1  o 37.00913 17.22749 -60.10426      74.06940 -60.10426      74.06940 0.000000       0.000000 37.00913 17.22749 ?        ?        0.000000       17.22749 
1 1 1 -10 -22 2  o 337.3854 11.80500 2788.186       190.1214 2721.025       237.5718 2907.807       317.0590 330.8058 15.06102 337.3810 19.74300 -6.575287      24.83184 
1 1 1 -10 -22 3  o 56.20259 20.55484 69.76028       72.00486 68.57368       107.7653 70.71727       96.77884 61.78835 24.50384 60.36227 23.43340 1.426075       33.90520 
1 1 1 -10 -22 4  o 138.9413 11.53170 475.4399       75.91127 632.1365       101.6212 277.6089       114.1830 159.5440 13.44788 100.8961 24.01870 58.64786       27.52714 
1 1 1 -10 -22 5  o 52.33254 19.73882 55.65449       67.36700 61.13740       91.45004 49.14874       99.61552 57.73142 22.67239 57.30608 23.26880 0.4253426      32.48806 
1 1 1 -10 -22 6  o 139.9325 14.47874 491.3297       95.46532 538.0987       160.2921 465.6219       118.8410 140.6168 24.74660 133.9146 19.10312 6.702194       31.26217 
1 1 1 -10 -22 7  o 86.19087 18.66465 196.4939       74.68011 147.5777       101.2787 254.7837       110.5575 74.34304 24.54151 95.90601 24.13469 -21.56297      34.42048 
1 1 1 -10 -22 8  o 117.6031 14.97158 351.7254       82.27153 486.6632       119.0657 228.4350       113.8111 136.4827 18.74180 89.91316 25.37529 46.56950       31.54617 
1 1 1 -10 -22 9  o 66.53645 19.51800 118.3957       66.11518 2.765362       197.7705 132.9442       70.15128 66.75868 29.93448 70.20834 19.95896 -3.449661      35.97823 
1 1 1 -10 -21 1  o 114.1274 11.40897 319.2170       61.41730 241.9129       88.53853 390.9158       85.26810 96.76107 19.80677 125.5429 14.47093 -28.78185      24.52990 
1 1 1 -10 -21 2  o 287.0352 9.617150 1993.911       131.7881 2094.838       161.8674 1795.461       226.9775 293.4230 11.56133 268.3924 17.78943 25.03058       21.21622 
1 1 1 -10 -21 3  o 218.7325 10.01594 1160.512       104.4622 1129.494       135.7154 1205.605       163.6345 214.6035 13.29295 220.7018 15.60886 -6.098358      20.50217 
1 1 1 -10 -21 4  o 163.8849 11.03567 655.2739       85.96198 711.7405       123.1917 601.6880       120.0080 169.2628 15.39155 155.1070 16.43310 14.15575       22.51547 
1 1 1 -10 -21 5  o 148.7982 12.81591 545.4632       90.28323 551.4683       140.1083 541.1992       118.0630 146.3263 20.59702 146.5168 17.18055 -0.1904907     26.82179 
1 1 1 -10 -21 6  o 164.7318 11.60483 665.1953       90.81056 549.1578       133.0727 766.3294       124.2335 146.2850 19.51374 175.4818 14.95029 -29.19682      24.58246 
1 1 1 -10 -21 7  o 61.82526 22.27831 88.00186       84.16428 -149.1296      147.9480 201.4603       102.3371 49.06442 23.29983 86.34767 23.95183 -37.28325      33.41515 
1 1 1 -10 -21 8  o 40.01236 18.03896 -29.50369      72.91890 -91.37522      93.34807 67.34962       116.7931 39.84631 18.79838 63.10273 25.34706 -23.25642      31.55713 
1 1 1 -10 -21 9  o 153.8202 14.66869 592.0432       106.5684 643.3426       147.4423 535.9293       154.2060 157.5001 20.03365 141.4602 23.63448 16.03992       30.98283 
1 1 1 -10 -21 10 o 139.7890 18.97293 506.3293       123.5289 437.8435       208.2668 543.4991       153.4315 119.8573 34.49209 142.2189 23.37723 -22.36163      41.66772 
1 1 1 -10 -21 11 o 83.08091 19.36559 184.3346       75.49345 84.28307       122.3378 245.8650       95.93869 65.45145 26.05884 95.21712 21.57610 -29.76568      33.83181 
1 1 1 -10 -21 12 o 32.97129 15.75638 -84.79803      69.87692 -346.5324      142.1926 -1.464869      80.23344 37.73965 18.87470 45.23162 19.72269 -7.491974      27.29906 
1 1 1 -10 -20 1  o 279.1278 8.901381 1879.649       118.6351 1838.620       175.0632 1914.492       161.3279 274.4855 13.38067 280.6425 12.05206 -6.157013      18.00817 
1 1 1 -10 -20 2  o 169.1603 9.672982 692.9693       77.90278 740.2402       104.5429 633.9451       116.8188 174.0740 12.64810 160.1589 15.44790 13.91507       19.96527 
1 1 1 -10 -20 3  o 240.7055 9.815147 1401.629       112.7144 1443.478       144.2822 1336.093       180.5536 243.4108 12.43962 232.5692 16.34252 10.84152       20.53831 
1 1 1 -10 -20 4  o 62.07871 20.38358 93.60704       69.90208 91.63148       103.2355 95.27968       94.99124 66.04755 24.53189 65.54215 23.66132 0.5054016      34.08331 
1 1 1 -10 -20 5  o 101.2162 19.30729 262.7186       90.02029 601.8549       178.9035 147.7429       104.1681 151.5108 25.61003 76.53321 24.86737 74.97759       35.69677 
1 1 1 -10 -20 6  o 176.0115 11.14222 754.0388       93.27958 872.9111       139.9970 659.1304       125.0922 187.8263 15.73475 162.8423 16.28601 24.98407       22.64545 
1 1 1 -10 -20 7  o 240.6887 10.56221 1405.990       121.2439 1434.437       184.4245 1384.337       160.9020 240.7392 16.11656 237.3697 14.24395 3.369553       21.50892 
1 1 1 -10 -20 8  o 107.0251 17.25743 290.6747       85.29929 286.7974       107.6205 297.2260       139.8921 104.5011 22.22530 104.5390 27.59171 -0.3798676E-01 35.42974 
1 1 1 -10 -20 9  o 58.79069 22.24324 69.48505       85.69794 -23.73694      111.5353 203.8331       133.8963 51.26288 22.76567 87.37445 28.17743 -36.11157      36.22490 
1 1 1 -10 -20 10 o 224.9971 12.63637 1244.064       135.3814 1616.560       224.8284 1032.170       169.5702 252.5861 18.75177 202.2092 17.71932 50.37697       25.79929 
1 1 1 -10 -20 11 o 51.28803 21.72453 16.71182       92.14523 -16.40073      118.3800 67.61633       146.7778 53.22512 23.55491 67.79491 27.96704 -14.56979      36.56486 
1 1 1 -10 -20 12 o 162.0311 16.20374 662.2653       123.8406 738.0507       174.7448 585.7957       175.5320 167.3593 22.40177 146.5396 26.00739 20.81966       34.32526 
1 1 1 -10 -20 13 o 82.16019 23.52555 184.0667       97.11839 260.5263       245.9886 169.9479       105.7055 96.45869 37.38357 79.17103 24.98219 17.28767       44.96266 
1 1 1 -10 -20 14 o 120.2677 19.79229 382.2861       109.8477 729.7260       263.3467 309.1014       120.8644 151.6988 36.71126 105.3328 24.46952 46.36603       44.11886 
1 1 1 -10 -20 15 o 75.21848 24.87587 155.1758       104.0422 181.9697       130.5974 108.6276       172.1349 80.60830 27.86444 73.43387 30.28927 7.174431       41.15662 
1 1 1 -10 -19 1  o 53.70585 15.71233 71.70959       42.89544 86.52422       54.36417 47.27162       69.82323 59.06495 17.79186 52.13789 19.99289 6.927059       26.76314 
1 1 1 -10 -19 2  o 124.6304 9.143401 375.8787       54.10123 331.8387       71.41190 435.2065       82.88506 116.2890 13.07074 133.3392 13.17396 -17.05025      18.55795 
1 1 1 -10 -19 3  o 146.8180 11.14119 523.6903       77.61841 439.7196       122.2441 580.4109       100.4696 132.0393 19.98965 153.9745 13.79426 -21.93517      24.28719 
1 1 1 -10 -19 4  f 186.8918 9.873635 844.5766       87.90877 839.6089       136.3722 848.1085       114.9886 184.7863 15.58150 186.5163 12.97617 -1.729980      20.27719 
1 1 1 -10 -19 5  o 143.9520 11.60950 504.8997       79.22145 390.8401       127.5101 576.6074       101.1024 123.2406 22.46885 153.2833 13.94879 -30.04269      26.44651 
1 1 1 -10 -19 6  o 272.7610 10.46702 1800.674       136.2408 1801.146       228.4675 1800.413       169.7189 269.6747 17.82039 271.7961 13.09964 -2.121429      22.11712 
1 1 1 -10 -19 7  o 113.8062 13.49154 319.6078       71.98039 225.9065       104.7380 403.4729       99.08814 92.82307 23.56384 127.0899 16.71269 -34.26684      28.88890 
1 1 1 -10 -19 8  o 95.62527 15.40572 229.4158       68.03833 225.6339       101.5699 232.4942       91.63646 92.76620 23.01304 94.72466 20.80500 -1.958458      31.02335 
1 1 1 -10 -19 9  o 277.4024 12.61424 1875.992       166.8560 2067.748       242.5753 1703.788       229.8765 288.6139 17.66470 261.4123 18.51309 27.20163       25.58859 
1 1 1 -10 -19 10 o 381.1740 12.39385 3539.199       225.5590 3420.793       273.0907 3793.365       400.1084 372.8845 15.35161 387.3098 21.69452 -14.42535      26.57676 
1 1 1 -10 -19 11 f 315.6384 13.76682 2443.709       207.2459 2491.624       298.4318 2399.078       288.0252 314.3798 19.95860 308.7384 19.61475 5.641418       27.98364 
1 1 1 -10 -19 12 o 115.6481 20.99130 348.5885       111.7878 393.1068       152.1012 296.2940       164.8510 120.0118 27.14685 102.9480 30.97577 17.06387       41.18798 
1 1 1 -10 -19 13 f 90.13918 28.26445 222.5470       135.5124 -166.2409      240.6845 402.9962       163.9718 64.64916 30.40225 119.9706 28.92734 -55.32149      41.96531 
1 1 1 -10 -19 14 o 45.29468 19.73554 -4.998100      80.21110 -39.41633      144.6776 10.27600       96.37954 56.41642 25.42412 51.36251 22.00106 5.053902       33.62190 
1 1 1 -10 -19 15 o 83.16856 17.36915 180.1711       66.83122 356.2077       130.8343 118.0227       77.73832 114.0844 24.70431 67.42923 21.44216 46.65522       32.71191 
1 1 1 -10 -19 16 o 79.97560 19.66831 171.2495       74.67136 113.9870       221.0717 178.6238       79.33392 79.66075 33.69179 81.44542 20.41587 -1.784668      39.39473 
1 1 1 -10 -19 17 o 183.1431 14.22805 844.1268       123.6023 1049.276       244.9046 774.0121       143.1746 192.3260 27.40963 173.1094 17.54151 19.21658       32.54216 
1 1 1 -10 -18 1  o 56.96371 14.94336 81.79230       41.19505 116.1656       52.11010 24.51535       67.26688 67.68376 16.29949 47.17965 19.13423 20.50411       25.13547 
1 1 1 -10 -18 2  o 195.1283 8.985910 917.9038       83.60324 1001.995       126.3703 852.4515       111.4888 202.9527 13.09379 187.2742 12.52415 15.67856       18.11910 
1 1 1 -10 -18 3  o 329.7794 13.26805 2640.294       208.7619 2697.272       296.8083 2584.508       293.6844 330.7639 18.84737 323.6411 19.06500 7.122772       26.80854 
1 1 1 -10 -18 4  o 263.4184 8.479840 1669.894       106.6537 1600.694       158.7420 1726.835       143.9961 256.7427 12.97465 267.1886 11.29811 -10.44592      17.20432 
1 1 1 -10 -18 5  o 98.71360 12.70784 239.6446       58.58339 352.3852       80.67698 113.8866       85.20740 119.6144 14.39686 68.67729 22.50222 50.93708       26.71366 
1 1 1 -10 -18 6  o 504.6047 18.03494 6255.170       434.3855 6618.567       617.7173 5899.674       610.9662 512.4854 25.28968 482.4892 26.58910 29.99622       36.69534 
1 1 1 -10 -18 7  o 230.2340 11.58876 1284.682       127.1500 1259.921       189.6332 1304.906       171.3830 225.9600 17.69497 230.7671 15.62624 -4.807083      23.60702 
1 1 1 -10 -18 8  o 271.3802 11.87152 1786.347       153.6529 1990.147       227.2092 1614.596       208.5801 284.4574 16.78163 255.9622 17.14352 28.49518       23.99006 
1 1 1 -10 -18 9  o 273.3459 12.97200 1819.574       169.0389 1524.057       242.6620 2098.161       235.6083 246.5454 20.78044 291.7031 16.96758 -45.15771      26.82770 
1 1 1 -10 -18 10 o 108.8638 18.57170 300.6126       93.19409 9.687839       188.3906 394.8726       107.2340 70.33258 30.44785 125.1504 18.47720 -54.81779      35.61571 
1 1 1 -10 -18 11 o 285.8925 13.03278 1993.780       177.6660 2213.394       257.1398 1793.171       245.7617 298.5292 18.10172 267.8939 19.31833 30.63528       26.47395 
1 1 1 -10 -18 12 o 285.9422 13.50932 1998.802       184.1579 1895.185       266.2751 2093.807       254.9699 274.5375 20.43365 289.9065 18.49237 -15.36899      27.55906 
1 1 1 -10 -18 13 o 179.2461 12.65392 786.5489       107.7415 676.3404       183.0331 844.9846       133.2789 161.0109 24.55320 184.8689 15.21411 -23.85799      28.88475 
1 1 1 -10 -18 14 o 60.95270 22.57034 79.23834       87.26386 -8.499189      146.5998 127.3859       108.5994 60.31179 26.46978 72.46438 25.38750 -12.15259      36.67662 
1 1 1 -10 -18 15 o 271.2601 10.77820 1793.489       139.5002 1669.387       243.5364 1854.094       170.1871 255.6976 20.08287 274.6186 12.99939 -18.92099      23.92292 
1 1 1 -10 -18 16 o 138.8513 13.36445 478.7960       87.62297 421.3049       153.0400 506.8333       106.8742 123.6482 26.67312 141.7568 16.05175 -18.10856      31.13060 
1 1 1 -10 -18 17 o 81.27102 18.34691 173.4920       69.59167 132.4712       138.6839 187.2975       80.45435 74.93787 28.30871 83.86058 20.28941 -8.922707      34.82877 
1 1 1 -10 -18 18 o 70.46541 24.58906 127.9644       101.8149 168.7353       190.0314 111.5484       120.5826 82.67611 32.61724 69.30079 26.34664 13.37532       41.92887 
1 1 1 -10 -18 19 o 61.03631 21.19303 93.68848       75.58428 63.06466       336.4368 95.31630       77.56713 83.79980 38.16286 61.56942 21.46371 22.23038       43.78464 
1 1 1 -10 -17 1  o 229.7023 8.141269 1268.663       89.26443 1306.343       106.7496 1181.060       162.7667 232.8280 9.610759 219.9027 15.58293 12.92526       18.30831 
1 1 1 -10 -17 2  o 35.33194 14.45703 10.98864       38.81147 2.870799       47.92419 26.45953       66.15947 37.03501 15.67631 47.29994 19.05003 -10.26493      24.67084 
1 1 1 -10 -17 3  o 232.6379 10.82657 1307.497       120.0845 1480.559       171.9021 1142.553       167.8217 246.5378 14.65049 215.9435 16.37760 30.59436       21.97413 
1 1 1 -10 -17 4  o 101.3605 13.61632 253.2404       64.31620 463.9816       102.1660 114.8969       82.77727 137.1758 15.87073 68.74841 22.15364 68.42735       27.25186 
1 1 1 -10 -17 5  o 176.4955 9.804461 752.3389       82.40538 822.2130       127.7050 702.4865       107.8680 183.4049 14.68691 169.7661 13.39881 13.63885       19.88048 
1 1 1 -10 -17 6  o 128.1329 10.64606 398.5622       64.62806 550.9515       106.6579 310.1489       81.24083 149.7797 15.10063 111.8380 15.61961 37.94170       21.72559 
1 1 1 -10 -17 7  f 140.3377 10.61837 477.5768       70.71416 603.9435       114.8121 400.3405       89.75984 156.7570 15.52342 127.4611 15.01769 29.29586       21.59879 
1 1 1 -10 -17 8  o 125.8317 11.02268 384.9201       65.64208 568.0231       112.8866 291.3794       80.68540 151.9137 15.77237 108.2154 16.08379 43.69827       22.52678 
1 1 1 -10 -17 9  o 171.7136 11.63890 715.6628       94.98412 659.0416       184.0193 736.2269       110.8993 160.5405 24.77174 173.7381 13.45618 -13.19760      28.19056 
1 1 1 -10 -17 10 o 145.8084 12.11455 517.9481       83.68756 412.9301       139.1922 577.4026       104.7311 126.5867 23.87476 153.4201 14.44871 -26.83332      27.90644 
1 1 1 -10 -17 11 o 272.0360 9.896675 1787.525       128.4990 2315.365       241.4947 1579.055       151.7676 306.9154 16.51900 254.8671 12.49345 52.04829       20.71144 
1 1 1 -10 -17 12 o 37.34393 16.68365 -22.89575      60.82969 -0.7631351E-03 128.4452 -29.51536      69.06592 58.30700 25.19138 39.25791 17.63951 19.04909       30.75318 
1 1 1 -10 -17 13 o 137.3569 13.06527 463.0862       84.76604 481.0419       156.6560 455.6526       100.7967 135.6109 25.08638 135.4115 15.87057 0.1993713      29.68504 
1 1 1 -10 -17 14 o 189.2044 12.98660 875.7120       116.7597 1106.792       230.4357 795.8933       135.4321 207.7137 23.62399 179.2834 15.96748 28.43027       28.51409 
1 1 1 -10 -17 15 o 28.43165 13.58883 -68.66296      52.01196 -70.26409      114.1655 -68.24359      58.42774 47.69323 21.91128 30.95803 14.68424 16.73520       26.37671 
1 1 1 -10 -17 16 o 124.0027 16.17177 386.4689       93.59116 594.0154       142.4663 228.8970       124.1349 152.3870 20.04015 92.07146 26.66957 60.31550       33.35977 
1 1 1 -10 -17 17 o 73.24127 25.32504 134.3966       107.8814 41.27287       262.6459 153.2966       118.3236 80.59096 35.39798 77.38462 26.53171 3.206337       44.23741 
1 1 1 -10 -17 18 o 63.38348 20.98801 100.8687       74.05523 -117.6536      317.0080 113.4823       76.16256 76.46111 35.60820 66.45682 21.23388 10.00430       41.45867 
1 1 1 -10 -17 19 o 61.38052 24.16235 71.46002       104.0777 27.21434       197.6317 88.43990       122.4302 70.27555 30.79120 66.56050 26.20477 3.715050       40.43251 
1 1 1 -10 -17 20 o 35.70174 16.50597 -45.60984      66.25543 122.0526       204.1267 -65.35346      70.04795 78.40619 32.71711 34.87020 16.39921 43.53599       36.59703 
1 1 1 -10 -17 21 o 163.6817 14.68030 678.9852       113.6610 779.1300       249.8954 652.8641       127.6264 157.7137 34.13429 158.9307 17.06362 -1.216995      38.16172 
1 1 1 -10 -16 1  o 91.07716 10.52677 202.2675       44.99398 181.7499       65.73576 220.3528       61.71645 85.03143 16.76627 94.42706 14.10237 -9.395630      21.90855 
1 1 1 -10 -16 2  o 172.8057 9.435006 719.9884       77.65292 809.9854       119.6922 654.5758       102.0429 182.4626 13.82379 164.0724 13.11804 18.39015       19.05728 
1 1 1 -10 -16 3  o 145.7690 9.874391 513.4578       68.40898 519.9645       99.02840 507.5184       94.61243 145.8251 14.39169 144.1618 13.89958 1.663315       20.00797 
1 1 1 -10 -16 4  o 181.9659 9.156134 797.8820       79.39859 890.1959       120.2494 726.5267       105.7214 191.4321 13.22012 172.9260 12.88026 18.50616       18.45732 
1 1 1 -10 -16 5  o 124.5533 10.75794 376.4500       63.43351 421.9231       91.24454 333.9151       88.24757 131.0913 14.81824 116.0717 16.35549 15.01959       22.06994 
1 1 1 -10 -16 6  o 357.7172 13.54298 3102.514       231.1945 3456.765       331.2148 2765.906       322.8618 375.3563 18.51398 334.8007 20.26564 40.55560       27.44930 
1 1 1 -10 -16 7  o 319.8655 10.43124 2467.686       159.3054 2656.282       202.3766 2160.444       258.3058 331.1374 12.80747 296.5085 18.31103 34.62888       22.34558 
1 1 1 -10 -16 8  o 119.4631 12.33037 348.5714       69.41286 524.4663       108.5711 226.9727       90.27177 145.9540 15.81152 94.22770 20.61322 51.72631       25.97901 
1 1 1 -10 -16 9  o 215.4375 10.13714 1120.690       104.1179 1148.812       188.2925 1108.304       124.9602 215.6886 18.43647 213.7427 12.28015 1.945953       22.15187 
1 1 1 -10 -16 10 o 325.5536 9.756908 2554.524       151.6886 2762.410       304.6455 2485.995       174.9128 334.7151 19.11705 320.6628 11.42772 14.05228       22.27228 
1 1 1 -10 -16 11 o 86.76556 19.62504 192.3859       79.49546 56.27911       176.1647 227.1886       89.08109 73.73859 30.54975 94.25850 20.36351 -20.51991      36.71458 
1 1 1 -10 -16 12 o 259.8077 10.02357 1629.369       124.2703 1572.830       226.1642 1653.822       148.7352 252.1514 18.89841 261.2243 11.94103 -9.072906      22.35482 
1 1 1 -10 -16 13 o 69.62164 21.95500 120.4160       81.65217 64.95683       194.1858 132.3277       89.99471 76.91202 31.98742 72.85197 23.05908 4.060043       39.43242 
1 1 1 -10 -16 14 f 151.3722 13.34212 561.5787       95.56877 411.8452       144.4375 678.1783       127.4586 125.5126 24.94947 165.5011 16.32086 -39.98850      29.81353 
1 1 1 -10 -16 15 o 93.82072 25.36445 232.6012       116.4717 0.000000       0.000000 232.6012       116.4717 ?        ?        93.82072 25.36445 0.000000       25.36445 
1 1 1 -10 -16 16 o 457.9514 12.32468 5102.794       269.5929 5178.992       317.5169 4905.968       510.3157 459.8458 14.46060 437.8951 24.47326 21.95071       28.42621 
1 1 1 -10 -16 17 o 47.74804 18.96611 33.21060       64.65881 -69.40752      176.5432 49.10810       69.48698 61.09705 27.75387 52.02394 19.94583 9.073109       34.17768 
1 1 1 -10 -16 18 o 213.3243 12.65802 1116.713       128.5161 1636.224       236.8255 899.8702       153.0041 253.9734 19.65728 189.3856 17.08190 64.58777       26.04227 
1 1 1 -10 -16 19 o 73.64709 21.15294 143.1585       78.40090 -202.2189      328.3464 164.0402       80.73620 74.17551 35.07287 78.59726 21.06105 -4.421745      40.91056 
1 1 1 -10 -16 20 o 104.6282 19.65406 287.1794       94.70365 531.2531       220.4762 231.9576       104.8712 133.1293 34.39637 92.25871 23.66360 40.87055       41.75017 
1 1 1 -10 -16 21 o 128.0293 17.66319 423.1312       105.2376 382.2510       239.4863 432.9142       117.1550 109.4934 37.73837 128.4098 19.71218 -18.91637      42.57645 
1 1 1 -10 -16 22 o 93.58201 22.01313 241.2407       96.82840 259.0728       244.6303 237.9279       105.4396 93.30811 36.94601 92.04601 23.78918 1.262108       43.94238 
1 1 1 -10 -15 1  o 32.26515 13.47059 4.955679       34.63067 10.45394       42.66611 -5.660691      59.28687 36.71042 15.10449 39.64370 17.12133 -2.933277      22.83168 
1 1 1 -10 -15 2  o 169.5898 9.806344 693.6726       79.16973 757.0859       113.7282 634.0493       110.2773 176.5027 13.58185 161.2500 14.45797 15.25270       19.83682 
1 1 1 -10 -15 3  o 58.49435 13.23177 85.88074       36.13455 97.25989       55.85021 77.68803       47.38969 62.42281 17.82945 56.09253 16.54323 6.330280       24.32217 
1 1 1 -10 -15 4  o 89.80656 14.01088 199.5530       58.19347 208.3033       91.57021 193.6249       75.37082 90.34563 21.51070 87.50366 18.59060 2.841965       28.43098 
1 1 1 -10 -15 5  o 87.14668 11.01425 185.7397       44.86641 282.0139       69.84821 118.1142       58.54036 107.1020 13.97402 68.36871 17.75415 38.73333       22.59387 
1 1 1 -10 -15 6  o 73.92409 13.43161 136.1009       45.72237 205.9726       83.83395 106.5179       54.54952 89.99603 20.00304 64.99355 17.26497 25.00247       26.42349 
1 1 1 -10 -15 7  o 282.2484 9.477319 1917.628       127.7053 2299.972       242.2581 1770.496       150.2813 307.0205 16.56586 270.7100 11.63880 36.31046       20.24572 
1 1 1 -10 -15 8  o 164.3055 10.01758 652.0673       78.31668 806.5377       158.6962 602.3351       90.04552 180.6867 18.63809 157.5202 12.04831 23.16653       22.19324 
1 1 1 -10 -15 9  o 149.3322 10.70946 540.0936       75.95149 711.9097       125.5495 440.9201       95.38513 170.4390 15.57980 133.9132 15.16534 36.52580       21.74207 
1 1 1 -10 -15 10 f 220.3748 11.18967 1174.637       117.5070 1430.664       189.2083 1013.887       149.9245 241.6915 16.47305 203.5755 15.52120 38.11607       22.63336 
1 1 1 -10 -15 11 o 177.9608 11.06419 767.0294       93.66966 860.3172       149.6058 706.8800       120.1301 186.9529 16.92121 169.8907 14.94228 17.06219       22.57431 
1 1 1 -10 -15 12 o 101.7171 14.41249 256.0497       68.12714 237.4513       180.0972 259.1554       73.59596 97.33918 32.74086 102.0629 15.57525 -4.723724      36.25676 
1 1 1 -10 -15 13 o 123.8197 12.82335 375.0582       74.81261 503.1348       128.0746 308.7224       92.17259 141.7878 19.40201 110.9213 17.99743 30.86657       26.46405 
1 1 1 -10 -15 14 o 106.9323 15.32300 284.0024       76.10003 694.4425       162.4684 168.6434       86.13306 166.2641 20.89978 80.99333 21.77587 85.27077       30.18260 
1 1 1 -10 -15 15 o 233.3117 11.88838 1321.845       132.1702 1406.196       196.0316 1251.542       178.9658 238.6200 17.30098 225.2849 16.73565 13.33502       24.07085 
1 1 1 -10 -15 16 o 284.9312 10.81180 1966.703       147.0137 2280.713       263.7660 1825.194       177.0677 303.2330 18.27912 273.4241 13.58805 29.80890       22.77633 
1 1 1 -10 -15 17 o 271.6811 12.05398 1796.144       156.1765 2163.287       318.8065 1680.216       179.1444 291.6124 23.05463 261.7755 14.36928 29.83694       27.16601 
1 1 1 -10 -15 18 o 105.9866 18.32999 286.0684       89.52004 415.3577       192.9090 250.5855       101.0604 122.2354 32.46574 97.85704 22.12266 24.37834       39.28660 
1 1 1 -10 -15 19 o 88.75616 26.09672 210.7138       118.0788 578.5547       198.9705 10.74032       146.7050 145.2897 29.64965 62.35285 26.93088 82.93684       40.05464 
1 1 1 -10 -15 20 o 74.90294 23.25567 147.1235       91.98071 157.6258       359.5374 146.3880       95.14705 97.06364 42.04139 74.85539 23.71207 22.20824       48.26738 
1 1 1 -10 -15 21 o 103.1280 21.39746 282.9611       102.0382 315.6318       386.9441 280.5194       105.7825 107.2804 44.92542 102.2818 22.26569 4.998528       50.14034 
1 1 1 -10 -15 22 o 60.43478 25.67036 34.08638       129.2660 85.54186       234.9863 11.75891       154.7913 79.18067 34.14078 62.38710 27.29472 16.79357       43.71035 
1 1 1 -10 -15 23 o 73.21126 24.23769 145.0271       98.76464 512.8234       398.1961 120.9174       101.9504 115.1871 46.61272 68.75204 24.55013 46.43507       52.68258 
1 1 1 -10 -14 1  o 52.34692 14.67057 68.07795       38.18026 85.81715       48.69519 39.77005       61.51386 58.72584 16.60673 48.90181 18.76213 9.824028       25.05596 
1 1 1 -10 -14 2  o 202.2582 10.14486 985.6558       97.78485 1127.650       139.5770 848.7857       137.0354 215.7224 13.60277 186.6320 15.49782 29.09036       20.62081 
1 1 1 -10 -14 3  o 189.3248 10.01791 863.9043       90.35340 949.8759       129.6156 782.6385       126.0184 197.8472 13.78941 179.2750 14.83570 18.57220       20.25453 
1 1 1 -10 -14 4  o 195.2758 8.642556 917.1524       80.48627 934.7681       120.2474 902.8547       108.3323 196.4209 12.87600 193.2367 11.78228 3.184204       17.45318 
1 1 1 -10 -14 5  o 247.1781 9.131724 1469.503       107.7269 1654.491       139.1986 1193.253       170.1043 261.9126 11.14201 221.1854 16.19841 40.72722       19.66044 
1 1 1 -10 -14 6  o 59.45216 18.82643 85.14481       59.98251 27.06348       119.7158 104.6130       69.31001 60.45195 25.12657 65.34761 20.17024 -4.895664      32.22085 
1 1 1 -10 -14 7  o 87.27278 14.54403 189.1395       58.54917 89.87794       89.11375 264.5327       77.66412 64.51816 22.96185 103.1844 16.28274 -38.66627      28.14914 
1 1 1 -10 -14 8  f 283.4442 11.85528 1940.601       160.2979 2168.312       233.4719 1737.535       220.4768 298.2471 16.43738 266.5689 17.39498 31.67822       23.93267 
1 1 1 -10 -14 9  o 253.9544 10.79771 1556.029       130.7988 1787.814       189.8140 1346.451       180.4926 271.2087 14.69404 234.8243 16.17594 36.38443       21.85351 
1 1 1 -10 -14 10 o 48.16771 18.32281 40.63371       58.34082 -49.83966      90.48564 105.0024       76.32321 43.80809 19.88813 65.99646 21.27298 -22.18837      29.12176 
1 1 1 -10 -14 11 o 220.3951 10.25771 1172.262       107.7873 1477.570       182.6431 1009.106       133.5172 246.0352 15.60781 203.6443 13.79519 42.39099       20.83053 
1 1 1 -10 -14 12 f 302.5167 9.532802 2204.642       137.7006 2171.836       223.4238 2224.737       174.8589 298.2870 15.72255 303.1862 12.08763 -4.899139      19.83203 
1 1 1 -10 -14 13 o 300.5418 10.43126 2179.948       149.6549 2601.213       274.4622 2001.705       178.5297 325.4951 17.70384 287.2040 13.03604 38.29117       21.98555 
1 1 1 -10 -14 14 o 273.9726 10.50530 1812.465       137.3468 1999.225       238.1522 1719.391       168.1228 285.2578 17.54752 266.0414 13.25989 19.21637       21.99409 
1 1 1 -10 -14 15 o 136.0607 13.62279 453.4600       87.42446 558.0536       121.5296 341.2838       125.8577 150.0759 17.25142 114.9966 23.68120 35.07926       29.29865 
1 1 1 -10 -14 16 f 46.24326 17.95500 34.39186       56.82409 155.7541       99.82892 -23.77726      69.11318 78.45711 24.20534 40.10205 17.85823 38.35506       30.08014 
1 1 1 -10 -14 17 o 213.5035 12.47884 1110.263       126.8208 1200.666       205.7146 1054.842       161.0701 219.0308 19.86064 206.6828 16.43583 12.34808       25.77947 
1 1 1 -10 -14 18 o 72.97627 25.87012 123.9040       113.0170 0.1091640E-07  185.6893 196.8094       142.4375 68.85244 30.01352 87.72669 29.10960 -18.87425      41.81124 
1 1 1 -10 -14 19 o 70.13378 22.22567 123.7966       83.58464 5.419689       205.0784 147.3783       91.53218 72.15338 31.49542 75.74705 23.14250 -3.593666      39.08371 
1 1 1 -10 -14 20 o 52.01956 21.10068 34.14489       81.81953 -383.3380      216.2204 103.9161       88.39250 51.66322 25.37156 66.11709 22.92055 -14.45387      34.19163 
1 1 1 -10 -14 21 o 204.8658 16.11577 1048.694       156.5743 874.8306       394.5388 1081.195       170.5822 160.8657 47.80764 207.3185 17.36979 -46.45276      50.86531 
1 1 1 -10 -14 22 o 195.5656 14.99322 955.2127       139.1141 1610.810       401.8902 865.9659       148.2809 231.4660 37.60681 185.0603 16.94756 46.40575       41.24915 
1 1 1 -10 -14 23 o 146.9127 21.02368 567.9069       143.4600 400.5970       403.8188 592.0727       153.4712 111.7685 46.27454 149.3185 22.17040 -37.55003      51.31140 
1 1 1 -10 -14 24 o 47.61570 20.37399 11.61070       82.48740 -631.2252      416.1718 37.89737       84.15704 66.96039 33.29688 51.94474 21.27543 15.01565       39.51362 
1 1 1 -10 -14 25 o 44.89968 19.89106 -10.62104      84.63111 5.061546       426.1884 -11.26483      86.35076 85.02522 40.12907 45.25211 20.06730 39.77311       44.86690 
1 1 1 -10 -13 1  o 338.6350 13.36700 2766.659       215.9834 2766.234       306.0378 2767.081       304.8588 337.0132 19.07198 337.0905 18.99347 -0.7730103E-01 26.91639 
1 1 1 -10 -13 2  o 434.7908 15.98402 4577.069       331.6918 4726.945       469.7054 4427.985       468.4631 439.1786 22.44496 424.6902 23.16016 14.48834       32.25166 
1 1 1 -10 -13 3  o 247.1878 8.996979 1468.114       106.1468 1480.753       187.4804 1462.150       128.7744 246.9051 15.96808 246.3800 10.95984 0.5251160      19.36744 
1 1 1 -10 -13 4  o 413.3339 9.555175 4102.462       188.8200 4151.365       430.9232 4090.842       210.0592 411.2758 21.99586 412.3846 10.66339 -1.108826      24.44435 
1 1 1 -10 -13 5  o 245.3157 11.08893 1450.691       129.7176 1534.370       185.3651 1370.385       181.5900 251.3216 15.50275 237.3084 16.10089 14.01320       22.35115 
1 1 1 -10 -13 6  o 450.2358 9.753799 4870.982       209.9531 4943.579       504.0247 4855.740       230.9432 447.3890 23.64849 449.2804 10.75175 -1.891388      25.97790 
1 1 1 -10 -13 7  o 220.7272 10.21897 1174.035       107.5453 1398.258       159.4210 986.7772       145.6889 240.1345 13.94618 201.2896 15.25251 38.84496       20.66725 
1 1 1 -10 -13 8  o 203.8423 9.615944 1000.829       93.44772 1149.314       162.3848 927.3081       114.2641 217.1539 15.74818 195.7220 12.27308 21.43187       19.96581 
1 1 1 -10 -13 9  o 269.2732 9.457747 1744.691       121.5666 1671.154       225.9097 1774.665       144.2297 261.2210 18.20305 271.2357 11.14618 -10.01465      21.34451 
1 1 1 -10 -13 10 o 276.5956 11.93073 1848.407       157.3976 2082.740       229.2858 1639.565       216.4556 292.2649 16.47609 258.8388 17.59628 33.42609       24.10582 
1 1 1 -10 -13 11 o 224.8405 11.34422 1221.611       121.5492 1400.647       186.6003 1089.655       160.1977 239.4368 16.39999 211.1756 15.98608 28.26117       22.90228 
1 1 1 -10 -13 12 o 388.0421 14.69798 3657.506       272.1819 3941.233       390.0764 3388.293       379.9691 399.8886 20.47152 370.0891 21.56849 29.79947       29.73689 
1 1 1 -10 -13 13 o 254.4787 10.11993 1561.956       122.8769 1601.878       156.6835 1498.176       198.0412 257.0370 12.79045 247.2714 16.85299 9.765594       21.15700 
1 1 1 -10 -13 14 o 156.4064 11.47445 593.7331       85.20432 618.0258       128.8375 574.8495       113.5916 158.1070 17.32797 152.8626 15.76910 5.244354       23.42911 
1 1 1 -10 -13 15 o 242.4781 11.60629 1423.633       134.1565 1511.931       194.9808 1344.252       184.8742 248.3066 16.51854 234.0324 16.63148 14.27423       23.44074 
1 1 1 -10 -13 16 o 88.88069 19.07412 201.3259       78.62510 314.3669       105.5111 60.17225       117.9034 111.1843 20.60805 64.15681 25.56942 47.02745       32.84032 
1 1 1 -10 -13 17 o 187.1972 13.17595 854.1378       117.1674 1245.661       199.1420 646.8470       144.9018 224.2117 18.74939 160.9449 19.21051 63.26685       26.84368 
1 1 1 -10 -13 18 o 137.0219 13.27565 460.5842       85.87862 438.2618       140.3403 473.9468       108.5819 130.2660 23.39399 137.9803 16.80638 -7.714340      28.80509 
1 1 1 -10 -13 19 o 54.21094 19.67592 62.10344       65.79973 229.6644       125.9365 -0.8148091     77.17090 93.16470 26.82505 45.61256 19.61489 47.55214       33.23142 
1 1 1 -10 -13 20 o 68.77059 25.28705 103.2971       109.2064 279.6092       215.2159 42.15741       126.7345 102.6221 35.75368 62.62251 25.92504 39.99957       44.16372 
1 1 1 -10 -13 21 o 61.95584 21.97158 87.62110       81.52757 403.2421       511.2971 79.38706       82.58418 123.7100 51.71234 60.43856 22.02722 63.27145       56.20822 
1 1 1 -10 -13 22 o 65.53563 26.25259 72.45348       124.9302 174.2444       372.9280 59.58609       132.5915 99.62482 42.98300 65.05569 26.68184 34.56914       50.59109 
1 1 1 -10 -13 23 o 77.97174 22.23931 162.7427       86.95430 655.4208       394.4362 137.5759       89.14752 134.9839 48.27892 72.39901 22.95456 62.58489       53.45808 
1 1 1 -10 -13 24 o 76.76929 28.08529 149.1120       134.4442 402.7017       406.0861 117.8945       142.4793 111.7271 46.34402 72.93074 28.39910 38.79639       54.35326 
1 1 1 -10 -13 25 o 67.39297 23.07845 118.3104       89.52033 123.4445       269.1853 117.6720       94.92317 83.20983 36.20626 67.62730 23.73196 15.58253       43.29087 
1 1 1 -10 -13 26 o 63.11307 23.26471 98.10969       92.53297 -66.01566      276.5571 118.7998       98.19238 70.47049 32.96328 67.42220 24.09138 3.048286       40.82857 
1 1 1 -10 -12 1  o 182.6753 9.901005 802.9274       86.14721 834.0803       122.8232 772.7617       120.8616 185.6136 13.94274 178.5654 14.27619 7.048141       19.95519 
1 1 1 -10 -12 2  o 306.5760 12.56871 2264.218       183.8295 2203.964       260.5389 2323.952       259.4131 301.1943 18.17790 309.4638 17.60634 -8.269531      25.30651 
1 1 1 -10 -12 3  o 218.4771 8.144835 1145.659       84.92498 1180.012       124.5355 1115.797       116.1107 221.2435 11.81660 215.1969 11.32556 6.046585       16.36765 
1 1 1 -10 -12 4  o 345.5819 7.672266 2861.998       126.7602 2757.577       183.4827 2957.343       175.3274 338.5283 11.35290 350.7594 10.46690 -12.23111      15.44164 
1 1 1 -10 -12 5  o 139.6411 10.68090 471.2267       70.76537 432.4446       113.6668 495.7718       90.42743 132.2678 18.47874 142.8221 13.39980 -10.55438      22.82583 
1 1 1 -10 -12 6  o 170.6875 9.867906 702.0136       80.18250 864.4230       138.8190 620.7015       98.22475 188.4477 15.54629 159.9819 12.95295 28.46576       20.23527 
1 1 1 -10 -12 7  o 218.3321 10.53640 1148.625       109.6565 1222.803       159.2403 1081.726       151.2254 224.4103 14.92718 210.9723 15.09278 13.43797       21.22764 
1 1 1 -10 -12 8  o 127.6258 11.20943 394.9879       67.70184 497.5932       106.2613 324.8775       87.83781 142.4569 15.87132 114.6105 16.50585 27.84645       22.89852 
1 1 1 -10 -12 9  o 313.0705 12.48729 2367.587       186.5291 2716.274       268.7043 2043.282       259.1395 333.9614 16.88424 288.8472 18.86866 45.11414       25.32002 
1 1 1 -10 -12 10 f 211.5238 10.33713 1078.825       104.2199 1004.353       169.1800 1124.371       132.3052 202.3893 17.66123 215.4432 12.90419 -13.05391      21.87321 
1 1 1 -10 -12 11 f 411.4575 8.443831 4064.567       166.1013 4455.151       255.3202 3777.960       218.7113 429.5087 12.44696 395.7689 11.57145 33.73975       16.99486 
1 1 1 -10 -12 12 o 275.0991 10.08507 1823.305       132.4161 1884.690       231.8913 1793.604       161.2998 277.5256 17.56740 272.2969 12.42305 5.228729       21.51618 
1 1 1 -10 -12 13 o 142.7122 12.30245 495.3227       83.11987 569.8944       117.6582 421.0265       117.4406 152.1978 16.42990 129.7319 19.54085 22.46590       25.53011 
1 1 1 -10 -12 14 o 88.99904 17.67597 200.0005       72.55773 109.9947       95.84172 320.8487       111.0553 69.19212 23.87262 112.2992 21.46718 -43.10706      32.10517 
1 1 1 -10 -12 15 o 270.4503 10.46446 1765.640       135.0493 1734.996       229.8103 1781.804       166.9107 265.4872 18.21619 270.9992 12.91993 -5.512054      22.33280 
1 1 1 -10 -12 16 o 200.9598 11.42209 978.4727       109.2877 884.7000       167.2389 1048.363       144.3806 188.8923 18.76682 207.1537 14.67329 -18.26144      23.82224 
1 1 1 -10 -12 17 o 170.0154 13.00058 704.3312       104.8704 885.3062       196.5388 632.2955       123.9975 187.5231 22.36239 160.1108 16.43176 27.41231       27.75031 
1 1 1 -10 -12 18 o 337.7095 14.14107 2777.379       227.8095 2735.139       329.7517 2815.947       315.0908 331.5413 20.91023 337.2021 19.62994 -5.660797      28.68052 
1 1 1 -10 -12 19 o 151.2220 14.61681 562.8058       104.3602 875.5032       154.3915 299.7373       141.6106 187.9130 17.38230 106.1601 27.63614 81.75285       32.64813 
1 1 1 -10 -12 20 o 165.1548 14.32829 671.0980       112.0159 877.7110       238.8876 612.8655       126.8227 182.2936 28.32985 156.7879 17.20115 25.50572       33.14302 
1 1 1 -10 -12 21 o 106.8277 26.62385 306.1825       135.4846 915.1924       612.7851 274.8818       138.9227 159.6652 59.67714 100.9850 27.86636 58.68021       65.86270 
1 1 1 -10 -12 22 o 174.0302 15.72869 752.2997       129.4544 961.4804       399.4098 727.7458       136.8414 174.0290 46.93682 170.6095 17.00281 3.419479       49.92154 
1 1 1 -10 -12 23 o 170.1217 19.00191 737.5705       151.9124 595.6563       409.7156 760.1896       163.5714 132.5412 48.93718 172.0178 20.27884 -39.47655      52.97244 
1 1 1 -10 -12 24 o 97.15253 21.37560 252.1480       96.58368 -165.3106      264.5133 316.3679       103.7470 67.36311 31.73832 109.4975 20.57332 -42.13438      37.82304 
1 1 1 -10 -12 25 o 44.72606 20.42876 -46.99813      97.32411 -158.1287      262.6607 -29.31247      104.7825 66.79899 31.51971 48.37056 21.73109 18.42842       38.28489 
1 1 1 -10 -12 26 o 137.5825 23.02000 518.2877       146.0727 808.9699       286.9606 416.6250       169.7047 155.7022 38.71372 117.7883 30.04461 37.91393       49.00439 
1 1 1 -10 -12 27 o 49.59850 21.53934 9.034534       94.88319 -136.9639      292.8314 26.16082       100.2940 68.41233 32.57088 52.89238 22.54401 15.51995       39.61180 
1 1 1 -10 -11 1  o 51.03130 14.53594 64.19686       37.17233 38.88490       46.29008 110.1575       62.37611 44.91207 16.47183 66.61968 18.78027 -21.70761      24.98039 
1 1 1 -10 -11 2  o 202.6365 8.271287 985.4166       79.96233 813.9980       115.9259 1140.998       110.4410 183.5193 13.30298 217.8088 10.63805 -34.28954      17.03341 
1 1 1 -10 -11 3  o 115.8533 10.14411 324.4469       55.62003 404.6745       78.76187 244.6386       78.55574 129.0957 12.93540 99.27260 17.17290 29.82314       21.49961 
1 1 1 -10 -11 4  o 494.9859 9.703625 5877.403       229.6335 5446.036       575.3781 5959.129       250.4435 470.9236 25.65297 498.2640 10.51337 -27.34045      27.72374 
1 1 1 -10 -11 5  o 227.6171 10.90180 1247.116       118.2897 1293.617       171.9883 1205.374       162.9511 230.9937 15.66635 222.9977 15.37858 7.996017       21.95303 
1 1 1 -10 -11 6  o 265.7576 10.24116 1698.255       129.8763 1748.795       169.5744 1626.541       201.9959 269.1692 13.21773 258.8839 16.40471 10.28531       21.06710 
1 1 1 -10 -11 7  o 105.0076 14.04839 270.5334       68.75925 222.7022       131.0638 288.6974       80.76650 93.93967 27.45966 108.1224 16.11613 -14.18275      31.83964 
1 1 1 -10 -11 8  o 373.4719 10.34381 3354.225       184.5136 3524.563       220.8405 2960.399       335.7960 382.4292 12.09388 347.8713 20.27849 34.55783       23.61099 
1 1 1 -10 -11 9  o 268.4884 9.814881 1734.207       125.7730 1770.621       223.9933 1717.441       151.9963 269.4569 17.48188 266.7772 11.94756 2.679688       21.17452 
1 1 1 -10 -11 10 o 260.4865 11.97738 1638.468       148.7619 1633.458       216.2555 1642.968       204.9607 258.5923 17.59699 259.6522 16.59779 -1.059937      24.18968 
1 1 1 -10 -11 11 o 89.71672 13.25518 198.4447       55.14519 208.8305       84.45690 190.7263       72.80753 90.70567 20.01320 86.94034 18.10546 3.765335       26.98769 
1 1 1 -10 -11 12 o 250.1226 10.60155 1508.390       126.4866 1636.648       171.9921 1357.314       186.6658 259.7755 13.89907 235.7386 16.67001 24.03697       21.70423 
1 1 1 -10 -11 13 o 172.7086 11.02751 721.4163       90.57855 760.2716       134.1238 688.8361       122.8166 176.1891 16.10051 167.7942 15.48445 8.394928       22.33818 
1 1 1 -10 -11 14 o 282.2887 10.64171 1922.049       143.3623 2171.465       191.7930 1606.237       215.8165 299.2914 13.43814 255.9437 17.74720 43.34769       22.26088 
1 1 1 -10 -11 15 o 302.7382 12.53323 2219.193       181.0082 2581.865       262.0959 1888.482       250.2811 324.9070 16.93144 276.8989 19.02151 48.00812       25.46549 
1 1 1 -10 -11 16 o 150.3661 13.53703 552.3044       96.27470 454.1319       180.2845 591.4693       113.8706 131.2208 29.46098 155.1294 15.56357 -23.90865      33.31927 
1 1 1 -10 -11 17 o 122.7068 13.37821 369.2491       77.21336 495.2059       127.8721 296.9693       96.86651 140.5587 19.55775 108.3188 19.41850 32.23990       27.56055 
1 1 1 -10 -11 18 o 33.63274 16.23642 -120.4787      78.61905 5.163682       107.5236 -264.8166      115.2459 54.53469 23.29603 35.85006 17.77451 18.68463       29.30253 
1 1 1 -10 -11 19 o 69.01461 21.04534 119.2267       75.74207 -265.9474      209.4488 177.1752       81.24013 56.28652 26.99982 82.99368 20.57727 -26.70716      33.94723 
1 1 1 -10 -11 20 o 50.47689 19.66308 41.42000       68.32453 37.06843       131.9212 43.01516       79.87161 63.34103 26.35593 53.43417 21.12571 9.906864       33.77766 
1 1 1 -10 -11 21 o 207.0300 12.92921 1047.290       127.3328 1043.423       201.3329 1049.868       164.3849 203.1003 21.03894 205.7431 16.85974 -2.642853      26.96086 
1 1 1 -10 -11 22 f 213.2558 15.29180 1122.974       154.8729 1422.493       407.6530 1072.451       167.4261 221.8728 39.89735 207.5938 17.01871 14.27899       43.37551 
1 1 1 -10 -11 23 o 70.34686 22.54501 125.3336       85.80967 444.9005       248.6231 82.11855       91.42778 123.0983 38.23656 62.22131 23.09095 60.87695       44.66796 
1 1 1 -10 -11 24 o 74.64300 27.50844 131.9851       129.3572 57.38002       258.4489 156.9217       149.4200 81.19535 35.40111 80.14081 29.55952 1.054543       46.11945 
1 1 1 -10 -11 25 o 155.6753 17.59573 619.2534       128.6664 868.3205       458.8576 597.9987       134.0440 147.9268 52.15599 152.2677 18.81298 -4.340881      55.44525 
1 1 1 -10 -11 26 o 67.87656 24.00475 115.8172       97.25753 -291.9102      391.0906 142.6946       100.4120 75.00415 36.20981 73.27873 24.44436 1.725418       43.68841 
1 1 1 -10 -11 27 f 113.6338 28.59992 384.4297       155.2353 380.0586       301.1215 386.0120       181.1644 104.0347 41.05402 110.8718 32.24880 -6.837120      52.20554 
1 1 1 -10 -10 1  o 214.9672 9.190193 1109.237       94.23276 1099.789       120.3019 1124.238       151.5871 213.7584 11.81774 215.7158 14.78792 -1.957382      18.92991 
1 1 1 -10 -10 2  o 248.3197 8.849915 1479.201       104.8971 1357.291       183.2247 1538.640       127.9388 236.8362 16.28088 253.0761 10.59753 -16.23997      19.42614 
1 1 1 -10 -10 3  o 330.5488 7.688033 2616.559       121.4952 2376.908       174.7533 2840.770       169.0300 314.4700 11.64363 344.0234 10.28858 -29.55344      15.53799 
1 1 1 -10 -10 4  o 178.9304 9.034383 769.2995       77.03415 580.4050       118.2962 908.3797       101.5065 154.3235 16.27855 194.2502 10.97474 -39.92670      19.63252 
1 1 1 -10 -10 5  o 327.9450 7.779733 2576.333       121.9759 2396.649       175.9781 2742.482       169.2203 315.6702 11.68063 337.9013 10.48771 -22.23111      15.69806 
1 1 1 -10 -10 6  o 205.6625 10.51263 1017.906       103.0224 1087.650       152.3610 959.1582       139.8350 211.8691 15.14154 198.9561 14.80728 12.91295       21.17833 
1 1 1 -10 -10 7  o 768.1487 11.81460 14184.70       433.8829 14142.12       457.4537 14566.25       1369.341 766.7454 12.47923 758.0592 37.90355 8.686157       39.90501 
1 1 1 -10 -10 8  o 511.6276 8.134605 6275.387       198.9751 6344.678       292.4829 6215.691       271.4764 513.5978 11.91157 508.5404 11.16602 5.057404       16.32683 
1 1 1 -10 -10 9  o 535.3141 11.20069 6891.016       286.6565 6832.224       314.0316 7184.806       701.9935 532.6904 12.33077 538.0932 27.37770 -5.402832      30.02643 
1 1 1 -10 -10 10 o 319.9115 8.691347 2457.822       132.8075 2394.872       200.4865 2507.044       177.2831 314.7950 13.35170 322.5411 11.51519 -7.746185      17.63143 
1 1 1 -10 -10 11 o 130.1109 12.34478 411.6845       75.87142 401.2452       104.4972 423.3234       110.3377 127.3119 17.64181 130.7030 18.14634 -3.391106      25.30856 
1 1 1 -10 -10 12 o 112.4197 12.09990 308.1454       64.01003 215.5467       97.15732 379.1646       85.08656 91.83432 22.34470 124.3437 14.59017 -32.50934      26.68630 
1 1 1 -10 -10 13 o 236.5502 11.13019 1350.701       125.5205 1326.005       173.4026 1377.885       181.9300 233.2740 15.63857 237.6776 16.10573 -4.403564      22.44904 
1 1 1 -10 -10 14 o 165.8795 11.17900 665.9757       88.13748 783.0911       133.2554 574.8958       117.5139 178.9164 15.73877 152.9515 16.32236 25.96492       22.67440 
1 1 1 -10 -10 15 o 316.7516 11.34950 2422.445       171.5937 2489.338       220.5276 2319.796       273.1802 320.1213 14.44643 307.3590 18.67885 12.76236       23.61353 
1 1 1 -10 -10 16 o 166.8074 11.92665 675.3307       94.48590 595.6592       144.7340 734.5033       124.7323 154.4309 20.07815 173.2040 15.21759 -18.77309      25.19340 
1 1 1 -10 -10 17 f 356.0020 10.53412 3058.495       179.0941 2941.269       348.5330 3100.553       208.7637 344.1361 21.28808 357.8609 12.21997 -13.72473      24.54608 
1 1 1 -10 -10 18 o 135.6593 14.88620 453.0092       94.96359 781.4481       208.2095 366.7401       106.7090 174.5523 25.71976 120.7116 19.12720 53.84073       32.05239 
1 1 1 -10 -10 19 o 146.7726 13.13663 526.4093       91.20640 700.2737       150.8324 426.1925       114.5143 167.5968 19.16877 130.3457 18.92916 37.25113       26.93984 
1 1 1 -10 -10 20 o 37.95615 18.03098 -105.2483      88.75399 -231.9037      121.5426 39.44353       129.9088 38.98146 19.11891 63.45538 26.25672 -24.47392      32.47996 
1 1 1 -10 -10 21 o 35.69844 16.53429 -53.15407      66.92915 -246.8669      131.4609 14.62492       77.76160 40.55285 19.88840 48.13136 20.14657 -7.578510      28.30959 
1 1 1 -10 -10 22 o 125.2628 23.62569 409.7426       136.2996 678.5361       274.7382 321.9883       156.9799 153.7897 37.66998 108.8242 29.45787 44.96548       47.82043 
1 1 1 -10 -10 23 o 46.62191 20.30536 -7.756911      84.83472 -95.73187      417.7399 -3.972614      86.64011 90.90398 41.81812 47.60709 20.62896 43.29689       46.62949 
1 1 1 -10 -10 24 o 77.21606 23.23037 156.1232       92.72141 223.9192       260.1737 146.2597       99.23734 97.05013 38.20286 75.37934 24.25333 21.67078       45.25133 
1 1 1 -10 -10 25 o 70.60621 25.93890 117.5102       114.8677 249.5883       165.0547 -6.540314      159.9601 94.32813 31.33673 62.15557 27.44981 32.17256       41.65912 
1 1 1 -10 -10 26 o 81.46330 22.69670 180.4913       91.67224 467.4503       172.6691 67.85917       108.1772 127.7798 28.93896 61.33796 24.47678 66.44181       37.90219 
1 1 1 -10 -10 27 o 75.03264 23.86352 153.5429       96.28391 30.14359       182.6736 201.0130       113.2999 67.39914 29.56491 84.45038 25.73710 -17.05124      39.19798 
1 1 1 -10 -10 28 o 68.35354 27.33251 104.8874       135.1720 14.51725       189.1254 199.2578       193.2659 65.55238 29.34231 83.70200 32.93301 -18.14962      44.10844 
1 1 1 -10 -9  1  o 450.8916 7.504080 4866.908       161.7625 4943.517       231.1837 4793.421       226.4242 454.0927 10.64889 447.1530 10.59152 6.939758       15.01929 
1 1 1 -10 -9  2  o 260.5405 11.32432 1631.211       140.7205 1713.514       200.1688 1550.788       197.8688 266.3996 15.78725 253.2810 16.42918 13.11856       22.78498 
1 1 1 -10 -9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -9  4  o 298.6223 9.208915 2138.926       131.3166 2063.662       252.3292 2166.881       153.7824 291.8802 18.17248 300.3889 10.72537 -8.508667      21.10148 
1 1 1 -10 -9  5  o 441.0120 7.856699 4658.118       165.6528 4986.555       246.9857 4389.575       223.3330 455.8239 11.33356 427.5902 10.93385 28.23373       15.74797 
1 1 1 -10 -9  6  o 618.8320 10.47965 9188.205       310.0474 8852.493       884.6119 9235.221       331.0468 598.1720 31.03891 620.2589 11.16370 -22.08685      32.98548 
1 1 1 -10 -9  7  o 385.8332 9.882972 3573.663       182.1536 3579.672       386.5488 3571.947       206.5211 383.2762 21.17754 385.5064 11.21725 -2.230225      23.96487 
1 1 1 -10 -9  8  o 322.5199 13.26017 2508.067       204.0266 2491.284       292.2738 2524.018       284.9402 319.9388 19.19626 322.2226 18.57522 -2.283844      26.71208 
1 1 1 -10 -9  9  o 153.9522 11.65888 573.0995       85.17474 524.0197       125.3980 615.1378       116.0544 145.8975 18.38509 158.8668 15.47583 -12.96930      24.03150 
1 1 1 -10 -9  10 o 260.2037 12.04738 1633.031       149.4632 1433.547       213.9781 1823.087       208.8604 242.2239 18.62033 274.0500 16.01082 -31.82616      24.55734 
1 1 1 -10 -9  11 o 158.9607 11.08678 610.7823       83.72833 414.6946       118.7382 804.7155       118.0840 128.9838 19.89409 182.0981 13.66331 -53.11427      24.13423 
1 1 1 -10 -9  12 o 200.6219 10.71628 971.0788       102.4124 1193.864       158.6744 812.0076       134.0785 221.5705 15.06880 182.4376 15.51938 39.13290       21.63146 
1 1 1 -10 -9  13 o 196.7002 11.02121 934.4919       103.2291 1109.762       152.0241 784.5353       140.6181 213.5233 14.98738 178.9495 16.62641 34.57378       22.38435 
1 1 1 -10 -9  14 o 108.9901 13.23173 291.1291       67.53591 239.2805       106.9534 325.5125       87.09643 96.54578 23.41511 114.6449 16.35348 -18.09914      28.56052 
1 1 1 -10 -9  15 o 163.9669 12.32826 652.6485       95.93430 790.6093       139.2720 528.0856       132.3367 179.5706 16.40355 145.6287 19.49691 33.94188       25.47952 
1 1 1 -10 -9  16 o 131.0282 17.24305 425.6073       105.3968 545.7848       182.2292 365.1978       129.1990 145.3500 27.22393 119.4511 23.46102 25.89882       35.93831 
1 1 1 -10 -9  17 o 71.41309 18.98609 129.6051       65.93294 92.42855       115.1260 147.7498       80.42923 68.70729 25.82788 76.19243 21.27092 -7.485138      33.45940 
1 1 1 -10 -9  18 o 262.0740 12.82121 1667.436       160.1553 1611.545       238.3074 1713.472       216.2790 254.9894 19.70089 264.0627 17.22567 -9.073288      26.16962 
1 1 1 -10 -9  19 o 224.1316 12.75720 1221.200       136.1349 1141.014       232.7829 1262.880       167.8261 212.5446 23.28917 227.0267 15.55631 -14.48206      28.00686 
1 1 1 -10 -9  20 o 208.8873 12.57292 1060.979       124.9803 1271.797       201.1236 928.3609       159.5184 226.5362 18.73767 193.8269 17.39920 32.70937       25.57014 
1 1 1 -10 -9  21 o 108.6028 21.79283 303.8157       109.2142 120.3358       158.3052 470.4596       150.8675 78.25545 30.07941 134.8470 24.29510 -56.59155      38.66552 
1 1 1 -10 -9  22 o 98.78766 18.94880 249.7357       86.23910 506.6742       160.4457 145.3473       102.2680 139.1460 25.03902 76.00877 24.63514 63.13727       35.12610 
1 1 1 -10 -9  23 o 136.7377 19.68588 475.8952       124.9885 441.8212       184.2684 504.9312       170.1013 126.6561 30.74470 137.6146 26.81863 -10.95851      40.79798 
1 1 1 -10 -9  24 o 99.76114 19.97446 257.9981       91.94193 229.4969       167.0482 270.3842       110.1224 93.08195 31.53225 101.0208 23.27942 -7.938866      39.19457 
1 1 1 -10 -9  25 o 128.7805 16.95665 419.9531       101.8654 528.3845       180.7366 369.4737       123.3178 138.5927 28.23677 118.1661 22.65264 20.42661       36.20024 
1 1 1 -10 -9  26 o 108.0949 25.47797 323.3708       129.4999 442.4138       183.9953 206.5146       182.2975 123.0997 31.22207 87.97502 32.61364 35.12468       45.14939 
1 1 1 -10 -9  27 o 87.11035 23.71227 209.8597       101.3800 552.9322       190.0194 73.34640       119.8650 138.0925 29.66682 63.62522 25.63580 74.46729       39.20860 
1 1 1 -10 -9  28 o 42.34126 19.78950 -73.25414      99.34345 101.7264       203.8807 -127.7337      113.7622 75.27541 32.11520 41.77640 20.00197 33.49901       37.83471 
1 1 1 -10 -9  29 o 36.87407 18.00740 -164.1329      104.3892 -118.9945      211.4820 -178.6736      120.0311 59.19081 28.03502 39.77121 19.39755 19.41959       34.09146 
1 1 1 -10 -8  1  o 164.7358 8.103429 651.3317       63.62539 743.2084       85.86359 539.4505       94.75126 175.8005 10.26059 149.2979 13.41761 26.50262       16.89118 
1 1 1 -10 -8  2  o 205.2090 7.351357 1009.295       72.00621 1125.439       107.5121 914.8182       96.96673 216.4355 10.42073 195.0820 10.43471 21.35359       14.74703 
1 1 1 -10 -8  3  o 316.4631 8.877352 2400.784       134.1793 2593.646       275.5020 2340.810       153.6319 327.6053 17.65521 312.3283 10.30283 15.27701       20.44149 
1 1 1 -10 -8  4  o 274.1586 9.020695 1802.606       118.0751 1532.045       219.1623 1913.256       140.1549 251.3687 18.36339 282.3077 10.40209 -30.93898      21.10492 
1 1 1 -10 -8  5  o 436.4801 10.29898 4567.871       214.9151 4663.817       244.9010 4246.460       448.2363 440.7061 11.63357 417.8985 22.51826 22.80762       25.34585 
1 1 1 -10 -8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -8  7  o 527.9274 19.04418 6751.896       479.8800 6528.877       680.6083 6972.369       676.7141 515.3143 27.72803 533.1403 26.63378 -17.82605      38.44739 
1 1 1 -10 -8  8  o 430.9624 9.801970 4455.462       201.9580 4769.829       473.1756 4385.438       223.3210 442.0650 22.46228 427.2387 10.94229 14.82623       24.98575 
1 1 1 -10 -8  9  o 445.4559 9.847724 4761.903       209.7244 4051.311       468.5478 4939.941       234.5303 406.2319 24.23540 453.5248 10.81657 -47.29294      26.53965 
1 1 1 -10 -8  10 o 263.4467 12.25148 1673.558       153.8859 1345.874       220.1019 1986.910       215.2347 234.4704 19.82032 286.3171 15.78484 -51.84668      25.33785 
1 1 1 -10 -8  11 o 155.5644 11.23969 585.0158       83.02991 483.8018       121.6364 673.3243       113.6173 139.9209 18.64711 166.3880 14.42521 -26.46710      23.57544 
1 1 1 -10 -8  12 o 100.6018 19.18026 254.4628       88.88425 352.2350       143.0386 192.9610       113.4461 117.0922 26.20661 87.40926 25.54661 29.68293       36.59803 
1 1 1 -10 -8  13 o 341.3474 10.30317 2805.018       167.9494 2660.843       318.2356 2860.676       197.7273 329.1167 20.32424 344.2823 12.03127 -15.16562      23.61835 
1 1 1 -10 -8  14 o 232.1721 10.97986 1300.961       121.5298 1299.151       192.4400 1302.161       156.7400 230.2979 17.61182 231.5330 14.22858 -1.235046      22.64131 
1 1 1 -10 -8  15 o 186.1534 12.08799 839.5682       106.9987 888.2292       158.6711 798.9858       144.9027 190.0949 17.66096 180.3978 17.00155 9.697052       24.51453 
1 1 1 -10 -8  16 o 93.72598 23.30185 226.0431       103.9686 567.6457       184.1213 66.13155       125.9747 148.4803 26.92880 66.73007 26.48377 81.75027       37.76970 
1 1 1 -10 -8  17 o 59.83522 19.69021 84.75286       65.21341 -140.8916      113.2121 196.8030       79.77864 42.37879 20.19760 87.89703 19.49545 -45.51825      28.07161 
1 1 1 -10 -8  18 o 156.2615 12.64392 594.7053       93.65261 786.5165       149.5008 470.8186       120.1486 178.3818 17.76607 137.2901 18.79819 41.09172       25.86514 
1 1 1 -10 -8  19 o 189.2647 15.00502 877.6184       134.6630 1380.759       244.6139 658.8268       161.3065 234.6762 22.06112 161.7001 21.38981 72.97609       30.72811 
1 1 1 -10 -8  20 f 52.14814 21.00965 34.00583       80.49994 -45.60615      237.5628 44.33305       85.56198 74.31450 33.10043 55.06467 21.83514 19.24983       39.65365 
1 1 1 -10 -8  21 o 324.5869 11.86563 2554.008       183.8226 3199.095       333.5781 2272.684       220.2883 359.1925 19.49814 304.8152 15.16395 54.37735       24.70066 
1 1 1 -10 -8  22 o 144.1813 14.87549 513.1106       101.0686 435.4746       167.8989 557.2292       126.5690 127.7315 28.24505 149.2262 18.11112 -21.49473      33.55288 
1 1 1 -10 -8  23 f 180.0053 13.77103 796.0298       117.6116 1035.634       191.2377 650.2772       149.1539 202.6065 20.00367 160.2104 19.90082 42.39612       28.21683 
1 1 1 -10 -8  24 o 202.0237 15.31535 1010.332       146.8216 1189.877       219.1998 864.2355       197.7301 215.8695 21.52598 182.7866 23.14471 33.08296       31.60768 
1 1 1 -10 -8  25 o 145.2770 16.13392 528.7181       110.1711 538.5051       189.1599 523.6939       135.5309 139.9048 29.22451 142.6663 20.45489 -2.761490      35.67176 
1 1 1 -10 -8  26 o 40.61612 18.97709 -75.43283      91.23349 -258.6316      192.9416 -22.67470      103.5403 51.86459 25.13357 49.09063 21.85975 2.773952       33.30983 
1 1 1 -10 -8  27 o 47.74774 22.92270 -174.7436      151.6680 -400.3550      199.2558 136.0275       233.8572 46.87508 23.26338 82.97985 34.84882 -36.10477      41.90018 
1 1 1 -10 -8  28 o 105.8659 35.30886 357.9468       209.5072 0.000000       0.000000 357.9468       209.5072 ?        ?        105.8659 35.30886 0.000000       35.30886 
1 1 1 -10 -8  29 o 60.53582 28.04640 -58.67319      192.7876 347.7315       439.3364 -155.5928      214.5476 99.03707 44.49527 58.06575 27.71018 40.97132       52.41835 
1 1 1 -10 -7  1  o 461.6719 9.390366 5105.841       207.2642 5046.364       516.7754 5117.242       226.2595 455.7668 23.79897 462.0942 10.24160 -6.327423      25.90909 
1 1 1 -10 -7  2  o 160.8328 8.097374 620.8988       62.06229 577.9257       102.0672 646.1076       78.17432 154.4968 13.96919 163.8979 10.02455 -9.401123      17.19389 
1 1 1 -10 -7  3  o 728.7044 24.38423 12897.75       848.3141 13897.95       1200.506 11900.25       1198.890 751.2334 33.51008 693.2745 36.29789 57.95886       49.40104 
1 1 1 -10 -7  4  o 773.9908 26.65176 14601.78       984.7398 14185.46       1393.313 15017.29       1391.953 754.8282 38.73891 777.6229 37.55197 -22.79468      53.95232 
1 1 1 -10 -7  5  o 314.0308 7.461234 2360.908       112.0189 2567.333       169.0094 2199.178       149.5980 327.0217 10.82492 302.6972 10.35258 24.32449       14.97848 
1 1 1 -10 -7  6  o 370.8145 9.570552 3297.775       169.5270 2993.604       353.6570 3388.519       193.1664 351.0125 21.17265 375.7224 10.76476 -24.70987      23.75207 
1 1 1 -10 -7  7  o 187.5291 10.56461 846.2293       94.33456 810.8259       147.4111 870.7835       122.7638 182.5656 17.08750 189.8317 13.61721 -7.266129      21.84974 
1 1 1 -10 -7  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -7  9  o 251.5574 11.16912 1522.829       133.9924 1361.718       175.6205 1747.261       207.2778 237.0835 15.58041 268.5421 16.22040 -31.45857      22.49112 
1 1 1 -10 -7  10 o 424.9370 8.426026 4329.287       171.1810 4349.095       252.4527 4312.429       232.9007 424.9878 12.43835 423.4108 11.51606 1.576996       16.95087 
1 1 1 -10 -7  11 o 193.7697 11.27920 905.7801       104.0377 929.5692       153.1370 885.3883       141.7814 195.2968 16.55713 190.7567 15.68488 4.540085       22.80689 
1 1 1 -10 -7  12 o 285.6956 10.69929 1965.233       145.8811 2157.735       252.9243 1869.269       178.5786 297.5167 17.86388 278.0346 13.47464 19.48206       22.37597 
1 1 1 -10 -7  13 o 365.4085 9.227276 3209.088       161.0694 3436.239       246.8915 3040.773       212.5251 376.9105 13.72414 354.8763 12.54610 22.03424       18.59453 
1 1 1 -10 -7  14 o 68.36164 21.94349 112.8378       81.26859 90.60081       108.0920 141.7525       123.2578 67.60752 25.10399 78.37444 27.07116 -10.76692      36.91961 
1 1 1 -10 -7  15 o 200.9399 12.79684 979.1193       122.2967 1025.872       201.0820 951.6734       154.0671 203.3273 20.98686 197.1657 16.49549 6.161652       26.69362 
1 1 1 -10 -7  16 o 229.5357 11.66692 1274.124       127.6110 1177.297       197.3056 1343.755       167.3178 218.5028 19.07864 234.8778 14.97824 -16.37494      24.25577 
1 1 1 -10 -7  17 o 135.8631 13.75861 451.6030       88.13794 623.7225       146.2157 353.3663       110.4628 158.2118 19.76033 118.3364 20.25261 39.87537       28.29556 
1 1 1 -10 -7  18 o 325.9111 10.40890 2562.719       161.9777 3078.658       321.8962 2387.784       187.4371 353.4789 19.11892 313.9317 12.51362 39.54721       22.85003 
1 1 1 -10 -7  19 o 422.4409 9.864072 4300.465       199.2189 4722.988       319.8143 4032.558       254.6628 440.0220 15.22544 407.6283 13.08446 32.39377       20.07529 
1 1 1 -10 -7  20 o 240.9318 13.35586 1413.581       153.2398 1836.416       261.3138 1191.960       189.1834 271.6089 20.26997 219.4270 18.19720 52.18199       27.23986 
1 1 1 -10 -7  21 o 233.8146 13.11234 1331.087       145.9879 1350.374       221.1335 1316.187       194.3635 232.7115 20.07195 230.7637 17.75366 1.947861       26.79693 
1 1 1 -10 -7  22 o 78.32593 26.06996 151.4856       114.2235 -91.23144      153.9433 448.7880       170.3766 55.48773 25.47436 129.9117 28.23932 -74.42400      38.03159 
1 1 1 -10 -7  23 o 63.69439 22.78217 91.10206       87.83281 28.23678       155.8546 120.3600       106.3251 66.29327 28.17402 71.47738 25.11421 -5.184105      37.74253 
1 1 1 -10 -7  24 o 135.8288 20.77718 473.7892       130.6412 379.0422       178.2325 583.7950       192.0491 116.7554 31.29530 147.1203 28.33212 -30.36489      42.21498 
1 1 1 -10 -7  25 o 77.33775 27.77376 144.1714       130.6795 245.8936       177.3145 23.22963       193.3413 95.54378 32.48537 71.13309 30.81974 24.41068       44.77897 
1 1 1 -10 -7  26 o 77.42542 26.43634 154.3694       117.4473 355.2073       387.1512 134.0132       123.2557 111.8240 45.69686 74.36886 26.93829 37.45509       53.04597 
1 1 1 -10 -7  27 o 131.5018 57.71128 817.4399       696.8047 817.4399       696.8047 0.000000       0.000000 131.5018 57.71128 ?        ?        0.000000       57.71128 
1 1 1 -10 -7  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -7  30 o 92.32945 31.94918 280.0800       171.7113 472.2625       280.2800 164.6079       217.2570 108.5964 40.40509 79.18222 33.44017 29.41422       52.44823 
1 1 1 -10 -6  1  o 72.36016 8.748478 127.2120       29.65129 110.6806       45.01734 139.8797       39.40697 66.59691 14.54704 75.56467 11.25058 -8.967766      18.38999 
1 1 1 -10 -6  2  o 361.8785 8.935407 3136.506       154.5914 3202.510       176.0829 2914.546       322.9008 365.4310 10.08833 347.0361 19.54088 18.39493       21.99137 
1 1 1 -10 -6  3  o 341.6019 8.932855 2796.897       145.7626 2885.522       168.7271 2536.171       289.4005 346.8380 10.18640 323.7756 18.77647 23.06247       21.36161 
1 1 1 -10 -6  4  o 650.3644 10.45509 10139.35       325.0819 10207.52       346.1725 9630.493       945.7959 652.4312 11.09812 625.9486 31.70789 26.48260       33.59402 
1 1 1 -10 -6  5  o 233.8490 8.493475 1311.455       94.79977 1450.816       173.3685 1252.012       113.2267 245.1951 14.85913 228.2934 10.40135 16.90164       18.13786 
1 1 1 -10 -6  6  o 81.57357 10.85570 162.3752       41.28658 271.2921       89.86674 133.2362       46.48243 104.4907 18.67470 73.28589 13.77211 31.20480       23.20378 
1 1 1 -10 -6  7  o 445.6441 9.656661 4760.688       205.7422 5463.211       502.5045 4619.201       225.5105 474.0575 22.23372 438.8254 10.74897 35.23206       24.69572 
1 1 1 -10 -6  8  o 197.6604 10.30902 939.7333       97.08266 869.2622       149.8680 990.6865       127.4351 189.1004 16.75015 202.5683 13.23099 -13.46794      21.34541 
1 1 1 -10 -6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -6  10 o 99.07730 16.52858 243.4123       75.53563 214.6248       101.7247 278.7936       112.7748 91.99947 23.14992 104.8997 23.11172 -12.90025      32.71193 
1 1 1 -10 -6  11 o 108.5582 13.85689 288.5959       70.28065 132.2820       111.0629 392.9949       90.76496 75.77699 25.71059 126.6720 15.29689 -50.89506      29.91704 
1 1 1 -10 -6  12 o 198.8983 12.43350 956.5184       117.6400 607.8903       191.9744 1166.152       148.8650 154.7161 26.93151 219.3196 14.27490 -64.60355      30.48080 
1 1 1 -10 -6  13 o 394.3967 10.88858 3745.251       205.1149 4585.340       431.2280 3499.609       233.1823 432.3463 20.92465 380.6990 12.82999 51.64725       24.54486 
1 1 1 -10 -6  14 o 46.42030 21.07973 -56.28545      101.7380 -347.7994      179.5344 81.60654       123.4774 47.16506 23.15378 68.72602 26.52631 -21.56096      35.20998 
1 1 1 -10 -6  15 o 89.01535 22.29293 202.8708       94.65547 196.1318       129.4652 210.6103       138.7418 88.41032 27.61253 91.44655 28.58827 -3.036224      39.74596 
1 1 1 -10 -6  16 o 88.43427 23.04144 200.6548       98.38132 173.8167       136.3572 229.7945       142.0838 84.87312 28.48841 94.82753 28.80579 -9.954407      40.51374 
1 1 1 -10 -6  17 o 104.0177 19.39518 273.4827       92.90434 281.5518       224.9300 271.8230       102.0126 106.2238 36.57504 103.1933 21.38076 3.030518       42.36591 
1 1 1 -10 -6  18 o 313.8258 11.65978 2381.647       174.6351 2447.813       301.5245 2348.249       214.2226 314.6181 20.15209 310.6553 14.46345 3.962799       24.80520 
1 1 1 -10 -6  19 o 441.6731 16.89885 4779.450       356.1758 4975.729       516.9810 4602.108       491.4087 444.8687 24.40061 428.0458 24.11034 16.82285       34.30304 
1 1 1 -10 -6  20 o 228.7733 13.83352 1276.679       150.5956 1313.711       244.1703 1253.943       191.3181 228.3249 22.66719 225.2039 17.91696 3.120926       28.89323 
1 1 1 -10 -6  21 o 222.6058 14.02475 1210.497       148.5002 1405.812       247.7657 1101.000       185.5136 236.3102 22.19024 210.5331 18.62277 25.77710       28.96920 
1 1 1 -10 -6  22 f 191.1216 15.50591 898.8137       140.4663 823.9382       197.4720 975.5019       199.8480 179.6357 23.56085 196.6118 21.61711 -16.97610      31.97519 
1 1 1 -10 -6  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -6  26 o 144.1332 27.59457 567.6837       183.2270 827.5698       442.8780 514.0145       201.2589 151.8382 51.34296 134.2812 31.83665 17.55701       60.41251 
1 1 1 -10 -6  27 o 194.8653 20.50702 988.6661       188.1889 1158.410       410.0847 943.3833       211.8083 181.9903 46.85383 187.4102 24.20434 -5.419922      52.73643 
1 1 1 -10 -6  28 o 180.5117 16.84160 833.5672       143.6666 789.2589       275.8320 850.0621       168.2970 156.9662 37.30806 180.0481 19.88223 -23.08186      42.27522 
1 1 1 -10 -6  29 o 132.1874 21.12473 472.9283       129.0103 293.6859       275.8058 523.1301       145.9629 95.87897 38.79552 137.7451 22.97314 -41.86616      45.08722 
1 1 1 -10 -6  30 o 54.87226 23.58137 30.25271       111.3985 -36.78625      267.3116 44.34225       122.5469 69.28782 32.40927 58.31879 24.89023 10.96903       40.86422 
1 1 1 -10 -5  1  o 467.5116 7.276091 5231.378       162.6293 5291.853       232.4098 5173.356       227.6492 469.9008 10.34523 464.6210 10.24847 5.279785       14.56210 
1 1 1 -10 -5  2  o 246.1821 7.132951 1451.754       83.86406 1506.116       123.8568 1405.730       113.9633 250.4686 10.36568 242.0127 9.870308 8.455856       14.31329 
1 1 1 -10 -5  3  o 300.1371 9.008749 2159.656       129.1222 2176.003       152.1712 2117.621       244.0210 301.1054 10.58722 296.0358 17.31710 5.069580       20.29707 
1 1 1 -10 -5  4  o 302.2945 8.682567 2190.458       125.3535 2325.036       254.0437 2147.146       144.1203 310.2298 17.19567 299.1434 10.09159 11.08643       19.93818 
1 1 1 -10 -5  5  o 100.9614 9.748446 246.5363       46.46975 198.1349       83.61469 268.1671       55.89725 88.83018 20.15285 105.1392 11.29735 -16.30901      23.10340 
1 1 1 -10 -5  6  o 412.7071 15.26859 4103.513       300.7461 4179.993       427.1644 4028.339       423.4977 414.9345 21.60757 407.2528 21.83075 7.681763       30.71594 
1 1 1 -10 -5  7  o 597.9321 7.969760 8562.482       227.8271 8361.055       330.2303 8745.436       314.7213 590.2158 11.70302 603.7916 10.90262 -13.57587      15.99461 
1 1 1 -10 -5  8  o 284.8249 8.023694 1944.837       109.1510 1909.300       166.7594 1971.473       144.3746 281.6434 12.41512 286.4708 10.55957 -4.827362      16.29845 
1 1 1 -10 -5  9  o 432.6753 10.51646 4492.965       217.5404 4413.963       243.6811 4803.055       482.7794 428.4517 11.90784 443.5364 22.84424 -15.08475      25.76152 
1 1 1 -10 -5  10 o 575.2001 11.93131 7953.892       328.1069 7811.276       357.1837 8724.398       830.2260 569.6848 13.11441 593.3450 29.35833 -23.66022      32.15430 
1 1 1 -10 -5  11 o 226.2381 11.01950 1232.935       118.8304 1316.557       191.8002 1180.842       151.3851 232.5158 17.37967 220.7896 14.42046 11.72618       22.58324 
1 1 1 -10 -5  12 o 107.6353 20.98246 292.0515       104.0930 -5.965332      149.9701 569.0939       144.5964 63.28809 27.28121 151.4668 20.49311 -88.17869      34.12084 
1 1 1 -10 -5  13 o 198.5718 14.20036 957.5694       133.9211 625.8737       214.4146 1169.737       171.4842 155.7883 29.87462 219.0056 16.49932 -63.21735      34.12800 
1 1 1 -10 -5  14 o 157.3363 19.88405 614.5774       146.2348 498.1910       305.3983 649.2012       166.5723 136.2145 42.38889 161.0574 22.22462 -24.84294      47.86180 
1 1 1 -10 -5  15 o 226.7517 13.57056 1247.972       146.4419 1260.082       242.5066 1241.021       183.7219 224.7826 22.88467 225.0908 17.20274 -0.3082428     28.62940 
1 1 1 -10 -5  16 o 156.7992 16.65474 605.0543       122.9429 762.6060       186.7151 484.4630       163.3526 174.1896 22.98075 137.3154 25.83055 36.87418       34.57357 
1 1 1 -10 -5  17 o 283.1472 13.69028 1946.523       184.7753 2105.413       284.6797 1830.856       242.8908 291.7453 20.54136 272.7474 18.74087 18.99792       27.80589 
1 1 1 -10 -5  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -5  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -5  21 o 149.9025 15.30771 554.2543       108.1670 356.5835       183.5662 659.3972       133.8786 114.7666 32.16937 162.9196 17.46019 -48.15292      36.60228 
1 1 1 -10 -5  22 o 151.0862 19.33396 573.5138       136.4581 678.1856       191.5730 465.7073       194.4204 161.7578 25.62499 131.0766 31.43133 30.68114       40.55328 
1 1 1 -10 -5  23 o 193.4818 16.46196 927.1077       150.8309 722.7877       218.3555 1113.567       208.5935 164.8790 28.74520 209.9503 21.06577 -45.07129      35.63781 
1 1 1 -10 -5  24 o 72.58594 26.13507 122.3502       115.7999 -39.28784      286.1900 153.9949       126.6290 79.66199 35.84111 78.96386 27.43038 0.6981277      45.13326 
1 1 1 -10 -5  25 o 284.2934 15.50485 2001.992       209.9402 2712.523       375.7767 1679.584       253.1289 322.9001 24.52527 256.7568 20.79900 66.14328       32.15723 
1 1 1 -10 -5  26 o 85.02742 27.09825 193.5258       124.1034 365.4950       313.7992 161.6411       135.1195 111.9310 42.51410 80.04707 28.29538 31.88391       51.06934 
1 1 1 -10 -5  27 o 174.3119 27.23110 838.5691       219.5163 751.4807       556.0549 854.6473       238.9220 133.8520 54.73977 173.7724 29.83270 -39.92044      62.34126 
1 1 1 -10 -5  28 o 218.5712 17.15630 1222.779       177.8412 414.1104       292.9330 1694.818       223.8062 110.1367 41.24133 256.2726 18.38900 -146.1359      45.15532 
1 1 1 -10 -5  29 o 85.10946 30.31513 211.1786       155.3582 88.75132       249.7019 288.5027       198.4449 78.08719 34.39861 95.68807 34.24205 -17.60088      48.53640 
1 1 1 -10 -5  30 o 87.49640 30.88826 242.1431       160.9762 299.2087       263.9383 208.3430       203.1302 92.83160 37.80811 83.32761 33.44262 9.503990       50.47635 
1 1 1 -10 -4  1  o 199.7795 7.109037 956.4510       67.79182 956.5845       100.2658 956.3386       92.00966 199.4954 10.55014 199.5565 9.672853 -0.6115723E-01 14.31326 
1 1 1 -10 -4  2  o 296.5189 6.945197 2104.268       98.45669 2387.398       146.3439 1870.145       133.0773 315.5098 9.713393 279.1823 9.986374 36.32745       13.93118 
1 1 1 -10 -4  3  o 281.9171 9.249977 1906.007       124.5037 1915.745       150.4337 1884.834       221.8242 282.4299 11.16304 279.3304 16.68655 3.099518       20.07621 
1 1 1 -10 -4  4  f 652.0752 7.927516 10180.86       247.1401 10366.12       357.0916 10010.54       342.3896 657.4150 11.36140 646.0934 11.08452 11.32153       15.87286 
1 1 1 -10 -4  5  o 241.6559 11.17675 1403.635       128.7786 1398.427       186.4728 1408.383       178.0593 240.4649 16.31681 241.4579 15.50660 -0.9929962     22.50985 
1 1 1 -10 -4  6  o 321.5724 8.102294 2478.075       124.4655 2593.514       197.1373 2401.556       160.5000 328.4151 12.57885 316.2807 10.62947 12.13440       16.46855 
1 1 1 -10 -4  7  o 497.5781 9.952936 5935.963       236.7668 6371.979       608.4089 5858.147       257.0280 510.9524 24.98188 494.1631 10.87932 16.78925       27.24801 
1 1 1 -10 -4  8  o 199.8581 9.744282 960.0482       92.82586 1060.909       159.5654 908.4535       114.1245 209.1821 16.07860 194.0713 12.36442 15.11084       20.28301 
1 1 1 -10 -4  9  o 178.8434 11.09833 770.9256       94.42644 1112.710       184.4247 649.4936       109.9283 213.7143 18.22368 163.6347 14.19178 50.07961       23.09782 
1 1 1 -10 -4  10 o 145.5608 12.41301 513.2591       85.55991 702.0077       185.2631 462.0874       96.46326 167.9315 23.73636 137.6388 14.89641 30.29269       28.02352 
1 1 1 -10 -4  11 o 142.9849 21.32969 508.8005       141.3553 0.000000       0.000000 508.8005       141.3553 ?        ?        142.9849 21.32969 0.000000       21.32969 
1 1 1 -10 -4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -4  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -4  16 o 38.87503 18.82878 -172.7123      107.9134 -115.3139      170.7677 -210.8721      139.2385 57.84236 26.65532 44.64603 21.56655 13.19632       34.28734 
1 1 1 -10 -4  17 o 156.4303 13.97574 597.7426       103.4213 499.2652       169.4034 656.2549       130.5803 139.0249 26.45336 163.1658 16.98787 -24.14093      31.43832 
1 1 1 -10 -4  18 o 141.6345 15.53942 493.9980       103.4976 515.8490       164.5926 479.7076       133.1059 141.6095 25.23691 137.9755 20.82630 3.633942       32.72058 
1 1 1 -10 -4  19 o 470.0196 17.51102 5423.640       392.8040 5820.890       563.6489 5048.538       547.7112 480.8747 24.59880 446.6791 25.75688 34.19556       35.61625 
1 1 1 -10 -4  20 o 196.5505 15.72335 949.8076       146.5188 769.5535       208.6154 1125.281       205.8305 172.5923 26.09628 212.0511 20.56076 -39.45882      33.22290 
1 1 1 -10 -4  21 o 246.6998 15.57941 1494.182       182.8119 1220.086       321.5355 1625.109       222.2252 213.6748 32.49777 256.0793 18.27146 -42.40451      37.28205 
1 1 1 -10 -4  22 o 129.7129 27.34894 445.3231       164.2515 537.6155       279.7340 396.7608       202.9140 137.1051 40.12778 120.1724 33.87112 16.93275       52.51183 
1 1 1 -10 -4  23 o 309.1214 15.20337 2346.894       223.9974 2470.127       505.1568 2316.733       249.9097 299.8007 35.96080 306.0165 17.15027 -6.215851      39.84108 
1 1 1 -10 -4  24 o 253.0621 17.27719 1595.629       207.7762 1888.750       506.4189 1536.299       227.8354 250.6879 43.85011 246.9624 19.45362 3.725464       47.97161 
1 1 1 -10 -4  25 o 115.2394 24.12708 353.9063       128.6574 588.9959       302.4360 301.9623       142.1622 137.7174 42.06509 104.8584 27.87940 32.85902       50.46517 
1 1 1 -10 -4  26 o 207.9772 15.07989 1075.185       148.9232 1074.483       231.3794 1075.681       194.5857 201.8360 24.47793 205.0363 20.10886 -3.200256      31.67863 
1 1 1 -10 -4  27 f 240.5894 14.90130 1446.146       170.5581 1516.252       260.3460 1393.435       225.7480 239.4303 23.02746 231.6848 20.59505 7.745560       30.89369 
1 1 1 -10 -4  28 o 164.6508 18.98250 707.4546       146.6938 474.0501       410.9193 741.5444       157.0415 112.9007 46.70552 167.8924 19.95470 -54.99167      50.78972 
1 1 1 -10 -4  29 o 139.2741 19.65602 515.7557       127.2457 200.3775       251.7005 624.0306       147.4797 87.14873 36.34497 152.5302 20.76255 -65.38144      41.85738 
1 1 1 -10 -4  30 o 149.3775 19.45909 602.2123       135.6683 242.0175       266.0474 728.7930       157.7153 87.72694 37.02465 163.3456 20.65680 -75.61869      42.39726 
1 1 1 -10 -3  1  o 469.8507 10.19819 5290.845       229.0823 0.000000       0.000000 5290.845       229.0823 ?        ?        469.8507 10.19819 0.000000       10.19819 
1 1 1 -10 -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -3  8  o 223.4709 17.19210 1212.675       182.2676 1212.675       182.2676 0.000000       0.000000 223.4709 17.19210 ?        ?        0.000000       17.19210 
1 1 1 -10 -3  9  o 404.2515 11.25214 3928.128       217.2564 4012.705       259.2222 3728.485       398.2676 408.1377 13.30264 391.0172 21.38589 17.12057       25.18564 
1 1 1 -10 -3  10 o 307.2999 9.827176 2268.748       144.1918 2565.848       282.5824 2164.161       167.6616 324.8802 18.26696 299.8060 11.71986 25.07413       21.70339 
1 1 1 -10 -3  11 o 411.1743 15.68942 4092.821       307.8531 4122.694       442.7551 4064.861       428.3427 409.8900 22.68217 407.2711 22.08141 2.618866       31.65548 
1 1 1 -10 -3  12 o 181.4270 14.93951 800.9263       128.4355 704.5443       257.5255 832.8365       148.1791 164.3105 33.90786 184.5647 16.98336 -20.25415      37.92332 
1 1 1 -10 -3  13 f 295.5812 19.69014 2142.901       276.6627 2142.901       276.6627 0.000000       0.000000 295.5812 19.69014 ?        ?        0.000000       19.69014 
1 1 1 -10 -3  14 o 294.3524 11.33360 2090.716       159.1958 2376.909       258.4693 1915.787       202.0737 311.9507 17.39959 280.7206 15.11231 31.23001       23.04621 
1 1 1 -10 -3  15 o 119.5819 18.79561 357.7173       103.9147 346.4342       228.9705 360.6440       116.6158 115.2224 36.81719 119.4096 21.20395 -4.187210      42.48662 
1 1 1 -10 -3  16 o 299.7347 13.50676 2179.436       193.0543 2301.127       283.5760 2074.316       263.5613 305.6185 19.50991 290.2897 19.09680 15.32877       27.30062 
1 1 1 -10 -3  17 o 82.91082 29.95388 153.5414       152.2691 -75.32086      329.5921 215.6442       171.6901 86.04652 38.60867 93.78477 31.96463 -7.738258      50.12352 
1 1 1 -10 -3  18 o 251.9271 16.10410 1554.311       192.9477 1571.074       423.2634 1549.914       216.7823 240.9800 37.99575 250.7416 18.20783 -9.761597      42.13315 
1 1 1 -10 -3  19 o 311.3753 13.21186 2356.447       196.2313 2585.947       365.8108 2263.727       232.5164 320.2573 24.06790 303.9856 16.05592 16.27170       28.93192 
1 1 1 -10 -3  20 o 427.4906 12.25374 4433.083       250.1816 4216.215       525.9836 4496.492       284.4145 405.4048 27.29694 429.6657 13.86378 -24.26089      30.61580 
1 1 1 -10 -3  21 o 195.2407 16.25576 940.7781       150.3597 748.6314       291.4113 1010.492       175.5295 163.0626 38.07462 201.5124 18.42325 -38.44983      42.29766 
1 1 1 -10 -3  22 o 205.7965 17.35017 1049.855       169.1180 494.7826       381.8272 1185.323       188.6294 131.3670 47.43663 218.3549 18.23552 -86.98792      50.82094 
1 1 1 -10 -3  23 o 109.7041 25.06362 318.5488       128.5686 436.0501       170.4840 163.5987       195.7755 127.1818 28.71977 87.09208 33.45694 40.08968       44.09299 
1 1 1 -10 -3  24 o 59.17359 25.21353 18.33538       125.3855 105.5325       161.5909 -113.6053      198.7719 75.51988 29.98756 61.81515 28.58271 13.70473       41.42735 
1 1 1 -10 -3  25 o 149.9559 25.52462 599.7628       176.4421 235.5965       298.3918 795.5490       218.7902 100.1058 40.40759 171.7578 27.57734 -71.65199      48.92119 
1 1 1 -10 -3  26 o 98.30878 22.79868 258.5894       105.0697 -32.80407      182.7788 402.4026       128.4060 64.13155 28.76537 123.3430 22.60810 -59.21149      36.58651 
1 1 1 -10 -3  27 o 46.37986 20.91002 -33.28787      97.98248 -30.93920      176.1938 -34.33940      117.8933 62.29603 28.06685 50.97166 22.96218 11.32437       36.26306 
1 1 1 -10 -3  28 o 107.3308 26.10510 328.9406       132.6496 365.7846       473.1567 325.7978       138.1914 105.8553 46.95640 106.1498 27.13105 -0.2944870     54.23096 
1 1 1 -10 -3  29 o 68.25482 26.12874 112.8351       119.1219 1158.378       350.6950 -23.53156      126.6522 182.1974 41.22654 52.81786 23.79634 129.3795       47.60140 
1 1 1 -10 -3  30 o 62.66536 28.31709 7.070965       180.8968 354.6362       354.4571 -115.3361      210.3530 95.89829 41.63881 58.68058 27.84208 37.21772       50.08964 
1 1 1 -10 -2  1  o 311.4692 7.080427 2322.057       105.4345 2343.337       153.9661 2303.265       144.6806 312.4963 10.31972 309.8708 9.778345 2.625427       14.21663 
1 1 1 -10 -2  2  o 178.5256 7.614580 764.4165       64.84196 779.0800       105.1226 755.4113       82.38056 179.7556 12.30646 177.2782 9.757517 2.477478       15.70535 
1 1 1 -10 -2  3  f 175.6747 8.043902 740.5642       67.37988 646.2512       110.0729 797.0829       85.21004 163.3654 14.23530 182.1039 9.823670 -18.73853      17.29590 
1 1 1 -10 -2  4  o 335.7300 7.611025 2698.751       122.1636 2542.029       184.6182 2820.825       162.9367 325.2416 11.89301 342.8993 9.949553 -17.65762      15.50604 
1 1 1 -10 -2  5  o 329.4474 8.889457 2602.331       139.8855 2707.881       295.1550 2571.755       158.8601 334.4038 18.53415 327.3530 10.16287 7.050781       21.13761 
1 1 1 -10 -2  6  o 326.0236 8.033426 2545.873       125.2156 2307.079       196.3562 2709.534       162.5568 309.5440 13.29928 335.9922 10.13127 -26.44827      16.71866 
1 1 1 -10 -2  7  o 592.0746 11.35938 8415.592       321.5433 8338.690       347.1064 8880.748       853.6815 589.1413 12.32352 600.0433 29.85181 -10.90204      32.29551 
1 1 1 -10 -2  8  f 557.8167 8.152467 7456.085       217.4147 7548.845       328.2733 7383.604       290.1800 560.4250 12.25208 554.5619 10.94483 5.863159       16.42871 
1 1 1 -10 -2  9  o 384.1864 9.659661 3543.720       177.2832 3483.657       389.8026 3559.384       199.0622 377.6106 21.68313 384.8198 10.83067 -7.209198      24.23761 
1 1 1 -10 -2  10 o 426.5631 10.04787 4368.898       204.9113 4708.594       471.4424 4289.775       227.5274 438.3875 22.56974 422.2919 11.27980 16.09558       25.23147 
1 1 1 -10 -2  11 f 177.9060 11.68105 764.7858       98.80334 778.3546       166.3412 757.3887       122.8164 177.7050 19.92161 176.4915 14.68843 1.213501       24.75117 
1 1 1 -10 -2  12 o 229.7137 11.89826 1274.267       130.2254 1568.406       206.5515 1080.211       167.7709 253.6131 17.13585 210.3499 16.82279 43.26318       24.01340 
1 1 1 -10 -2  13 o 59.00899 21.75832 68.88714       80.94808 214.1745       200.6260 40.63611       88.46886 96.56541 34.44390 55.47659 22.13601 41.08882       40.94368 
1 1 1 -10 -2  14 o 315.5743 14.37301 2417.224       216.2798 2628.837       340.4525 2274.037       280.0504 325.8872 21.98005 304.1898 19.35718 21.69745       29.28862 
1 1 1 -10 -2  15 o 159.9481 21.71993 641.7818       161.8034 98.47713       382.1193 760.4777       178.6056 103.4515 44.04586 174.2567 21.92270 -70.80519      49.20003 
1 1 1 -10 -2  16 o 177.0667 17.07723 771.9313       142.7735 362.1934       392.4102 834.4471       153.2788 123.8861 47.42382 183.9820 17.64194 -60.09590      50.59898 
1 1 1 -10 -2  17 o 75.88979 28.06731 120.8625       134.8729 269.9458       233.9821 46.67884       165.0526 104.9012 37.22002 70.93755 29.49555 33.96367       47.49018 
1 1 1 -10 -2  18 o 170.5699 13.60328 710.2867       110.0129 679.8887       174.6953 730.2644       141.6223 163.7769 22.93925 171.8246 17.48326 -8.047699      28.84222 
1 1 1 -10 -2  19 o 61.94974 26.12498 23.06634       132.2932 -484.8152      238.6646 248.3284       158.9464 52.70155 26.02945 97.60326 30.61179 -44.90172      40.18225 
1 1 1 -10 -2  20 o 234.4829 13.31265 1340.762       148.6265 1301.719       224.6270 1371.166       198.2202 227.8118 20.85535 235.3571 17.74695 -7.545334      27.38430 
1 1 1 -10 -2  21 o 60.34784 22.28587 75.11903       84.97641 101.0591       146.1780 61.87858       104.4355 73.85106 28.76311 61.52110 24.20807 12.32996       37.59451 
1 1 1 -10 -2  22 o 352.1660 14.26867 3032.407       239.7393 2804.535       319.0005 3328.141       363.4088 335.0588 20.00525 364.3385 20.95161 -29.27972      28.96860 
1 1 1 -10 -2  23 o 132.8871 21.33234 453.6400       130.9434 119.1557       175.1472 877.5108       197.1661 79.36075 31.31241 184.9669 22.77660 -105.6062      38.72003 
1 1 1 -10 -2  24 o 157.8786 23.79308 652.1170       174.0165 600.2076       318.3835 674.2297       207.8011 138.8614 43.29133 157.7083 28.61383 -18.84689      51.89307 
1 1 1 -10 -2  25 f 157.9681 24.69024 661.9354       180.3679 604.2654       330.2459 686.4508       215.3185 136.8675 44.26209 157.6497 29.65616 -20.78224      53.27871 
1 1 1 -10 -2  26 o 72.74535 30.34970 75.14350       175.6094 249.9325       324.5422 2.780281       208.8204 101.1067 41.63525 70.72902 31.29370 30.37769       52.08445 
1 1 1 -10 -2  27 o 105.1332 34.86700 337.2676       204.3599 -564.6016      560.5192 475.5281       219.4662 81.66636 40.25100 123.7677 35.34105 -42.10137      53.56428 
1 1 1 -10 -2  28 o 75.97407 31.26678 123.6237       182.8813 236.2403       336.8040 76.53705       217.7835 94.23062 40.75248 74.83840 32.56503 19.39222       52.16556 
1 1 1 -10 -2  29 f 126.1835 34.21703 518.9990       211.5786 306.3757       575.6454 552.2095       227.5029 100.1225 47.06324 128.5769 35.72966 -28.45440      59.08940 
1 1 1 -10 -2  30 o 52.12318 23.49411 -13.31820      123.6172 125.5620       346.2251 -33.60928      132.3400 81.80322 37.78886 51.88525 23.74532 29.91796       44.63001 
1 1 1 -10 -1  1  o 266.4995 6.823154 1701.017       86.86255 1870.000       127.9099 1556.391       118.3327 279.1769 9.597596 254.6489 9.737688 24.52808       13.67247 
1 1 1 -10 -1  2  o 449.7420 7.198207 4842.118       154.7733 5029.550       224.8404 4673.315       213.3746 458.0205 10.26789 441.5222 10.10839 16.49826       14.40864 
1 1 1 -10 -1  3  o 322.7414 7.219940 2493.671       111.4029 2586.548       167.6928 2420.301       149.0456 328.2300 10.70061 317.6044 9.827594 10.62555       14.52876 
1 1 1 -10 -1  4  o 262.7559 7.607626 1654.603       95.46682 1672.656       150.4802 1642.443       123.5028 263.6929 11.96757 261.5565 9.894339 2.136414       15.52806 
1 1 1 -10 -1  5  o 243.8545 8.444515 1426.342       98.30100 1564.364       187.4011 1373.949       115.4607 254.4057 15.48095 239.1483 10.12142 15.25734       18.49603 
1 1 1 -10 -1  6  o 456.5706 15.97628 5031.564       348.1946 5414.415       495.9516 4659.422       488.9658 471.6095 22.05734 436.8831 23.49664 34.72644       32.22760 
1 1 1 -10 -1  7  o 228.4036 9.789817 1253.668       106.6540 1266.653       141.4910 1236.582       162.3055 229.1320 12.96915 226.0153 15.10734 3.116776       19.91056 
1 1 1 -10 -1  8  o 496.3069 8.054133 5903.385       191.1074 6194.479       293.8520 5690.020       251.5788 507.5713 12.10942 486.7523 10.81080 20.81900       16.23303 
1 1 1 -10 -1  9  f 393.7922 8.442373 3718.399       158.9425 3718.938       255.2959 3718.057       203.1071 392.6198 13.62140 393.2391 10.81366 -0.6193237     17.39189 
1 1 1 -10 -1  10 o 114.8005 12.63061 321.1623       68.17890 315.8468       121.6950 323.5940       82.30911 111.4983 23.56798 114.7165 15.39603 -3.218163      28.15115 
1 1 1 -10 -1  11 o 324.6401 9.524344 2533.345       147.6644 2765.160       259.2292 2421.997       179.6618 337.4712 16.11370 316.9296 11.87828 20.54160       20.01861 
1 1 1 -10 -1  12 o 128.5683 15.45615 406.0544       93.10149 477.2913       149.9594 361.3746       118.7620 137.3336 23.69552 119.6760 21.54926 17.65760       32.02887 
1 1 1 -10 -1  13 f 201.3034 12.05507 980.9543       115.4875 1065.729       179.7088 921.3128       150.7334 208.2282 18.23571 194.0240 16.40326 14.20418       24.52770 
1 1 1 -10 -1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 -1  15 o 59.49529 20.95804 77.78599       74.07954 147.5995       128.1511 42.74956       90.78471 79.55991 27.59713 56.16665 22.41969 23.39327       35.55621 
1 1 1 -10 -1  16 o 130.6614 22.18440 433.5561       133.6302 374.1696       223.8855 466.4208       166.5509 118.3242 36.20229 133.9815 26.93618 -15.65722      45.12387 
1 1 1 -10 -1  17 o 38.99558 17.80427 -45.67920      73.82859 -78.71980      125.5168 -28.20087      91.29094 50.27771 23.05276 46.31952 20.58181 3.958191       30.90374 
1 1 1 -10 -1  18 o 111.6995 28.36796 330.3784       151.7529 328.1980       338.1324 330.9284       169.8156 116.3573 44.14649 111.3527 30.84105 5.004692       53.85242 
1 1 1 -10 -1  19 o 125.7467 25.22197 412.4516       146.3493 615.3231       265.1859 323.6041       175.4941 148.3601 37.40299 109.7033 31.69040 38.65679       49.02311 
1 1 1 -10 -1  20 o 415.0852 16.36559 4235.011       324.1344 4653.021       493.1930 3917.175       430.0564 428.2692 24.18579 394.0095 22.92931 34.25970       33.32725 
1 1 1 -10 -1  21 o 232.1091 15.15613 1323.804       167.2657 1539.614       316.7083 1240.323       196.9782 243.0372 27.75397 223.0956 18.63811 19.94167       33.43146 
1 1 1 -10 -1  22 o 56.14777 23.51004 23.58610       105.9481 -179.6580      471.4740 34.39528       108.7290 93.72640 43.57314 58.20393 24.04650 35.52248       49.76799 
1 1 1 -10 -1  23 o 56.63733 23.68597 26.73707       107.3411 -157.4132      283.3287 57.59823       115.9873 72.61169 33.76415 62.56279 25.21420 10.04891       42.13993 
1 1 1 -10 -1  24 o 87.09844 26.94210 202.9966       123.5836 -334.7881      504.9787 237.2582       127.4595 88.17732 42.19751 93.49078 27.00750 -5.313454      50.10025 
1 1 1 -10 -1  25 f 193.0182 17.35721 938.8568       158.4632 1060.240       339.6855 905.0935       179.1513 187.4465 39.16866 187.7653 20.27834 -0.3188629     44.10663 
1 1 1 -10 -1  26 o 88.27383 27.49331 214.4636       128.4449 43.77628       483.7552 227.4096       133.2269 97.63052 44.94474 90.58339 27.96551 7.047127       52.93486 
1 1 1 -10 -1  27 f 71.89071 26.35742 129.2248       118.5092 -21.13400      256.3339 170.0997       133.6502 73.09314 33.29642 79.49170 28.13721 -6.398560      43.59305 
1 1 1 -10 -1  28 o 51.51801 23.28972 -29.94923      122.5190 300.0457       444.0055 -57.14694      127.4679 99.75726 44.78205 50.13450 23.07654 49.62275       50.37815 
1 1 1 -10 -1  29 f 112.0324 25.29112 364.1027       132.2421 456.6833       277.3777 336.8691       150.4402 109.8145 40.31361 104.6590 29.04403 5.155525       49.68645 
1 1 1 -10 -1  30 o 83.34456 28.48474 219.0824       136.3595 -134.4681      465.9867 252.1920       142.6016 76.84812 37.63810 88.50053 29.11652 -11.65240      47.58570 
1 1 1 -10 0   1  o 351.1494 9.827632 2958.267       164.8245 2958.267       164.8245 0.000000       0.000000 351.1494 9.827632 ?        ?        0.000000       9.827632 
1 1 1 -10 0   2  o 301.7125 7.011949 2179.276       101.1441 2249.135       149.8397 2120.802       137.0880 306.0809 10.25406 297.2833 9.658226 8.797577       14.08641 
1 1 1 -10 0   3  o 212.5472 7.488827 1083.150       75.97986 1121.871       122.6743 1059.052       96.77668 215.8296 11.93517 209.9560 9.667211 5.873566       15.35914 
1 1 1 -10 0   4  o 125.3012 8.777314 378.0902       52.24800 375.6105       96.58503 379.1161       62.12216 123.6874 16.76456 125.2777 10.46763 -1.590370      19.76416 
1 1 1 -10 0   5  o 291.0148 7.549903 2029.856       104.9537 2161.508       165.8824 1941.976       135.5296 299.7776 11.59612 284.3552 9.984790 15.42242       15.30248 
1 1 1 -10 0   6  o 142.0460 9.489348 486.0966       64.07311 531.9913       127.8721 470.7108       74.03824 147.1026 18.59713 139.5546 11.19067 7.547943       21.70447 
1 1 1 -10 0   7  o 259.1896 8.336078 1612.106       103.1627 1773.011       174.5858 1525.784       127.8752 271.0006 13.51772 251.8370 10.64483 19.16362       17.20585 
1 1 1 -10 0   8  o 208.2123 9.368715 1042.415       93.02099 1233.982       170.5008 961.2293       110.9954 225.4004 15.92459 199.5907 11.68314 25.80971       19.75065 
1 1 1 -10 0   9  o 805.2261 8.601278 15554.38       331.1229 16668.04       488.8060 14609.96       450.1373 832.0233 12.28832 779.0564 12.08559 52.96692       17.23555 
1 1 1 -10 0   10 o 363.7891 8.847995 3176.482       153.8873 3106.555       251.2026 3218.489       194.6977 358.1928 14.70018 365.5831 11.15256 -7.390228      18.45196 
1 1 1 -10 0   11 o 532.8904 8.684410 6817.495       221.2517 6678.514       341.2925 6918.244       290.5832 525.6257 13.59272 536.0021 11.33955 -10.37634      17.70162 
1 1 1 -10 0   12 o 225.7251 11.27319 1230.642       121.2715 1228.973       203.0935 1231.567       151.1828 223.4133 19.20026 225.1559 14.11567 -1.742538      23.83070 
1 1 1 -10 0   13 o 123.0628 17.50967 376.4284       100.1146 244.5438       151.1190 479.5869       133.6516 97.62048 29.71841 138.2050 20.87781 -40.58450      36.31896 
1 1 1 -10 0   14 o 236.5825 15.13074 1365.317       170.2428 1680.002       392.1273 1292.226       188.9823 253.6292 33.12963 229.4092 17.35950 24.22003       37.40219 
1 1 1 -10 0   15 o 207.5851 17.77239 1061.728       174.6850 1766.183       392.9871 888.2642       195.0097 260.2740 32.27293 188.1878 22.09526 72.08617       39.11192 
1 1 1 -10 0   16 o 124.1417 20.34949 389.3904       116.5948 157.4252       246.2689 456.4073       132.3702 93.27557 37.02588 134.2948 21.32916 -41.01928      42.72995 
1 1 1 -10 0   17 o 283.0284 14.20745 1952.288       191.6300 1874.753       330.7419 1991.470       235.1151 271.4766 25.79234 284.5263 17.36694 -13.04971      31.09430 
1 1 1 -10 0   18 o 159.1063 24.54817 650.5908       180.7302 554.6929       369.2820 680.7950       207.2466 138.5303 46.88307 161.2843 27.88596 -22.75395      54.54951 
1 1 1 -10 0   19 o 286.5623 14.49818 2008.569       197.9828 2084.639       303.8279 1952.431       261.0056 287.6023 22.27007 279.8966 19.62935 7.705658       29.68615 
1 1 1 -10 0   20 o 121.3156 20.88368 376.7856       116.7556 469.6090       210.9421 335.7888       140.1877 130.2587 33.63921 112.4079 26.51783 17.85077       42.83447 
1 1 1 -10 0   21 f 158.0688 20.07552 631.5552       148.2950 597.8682       358.7499 638.4976       162.8604 140.8636 46.17346 158.0422 22.16257 -17.17860      51.21687 
1 1 1 -10 0   22 o 54.36983 23.53627 -1.669026      112.5590 291.4923       210.2708 -119.4151      133.2597 104.0569 35.37578 48.45634 22.73509 55.60052       42.05152 
1 1 1 -10 0   23 o 64.44707 25.70493 68.69098       119.2475 84.35160       221.1089 62.26759       141.6067 80.42374 33.83714 67.22230 27.57262 13.20144       43.64862 
1 1 1 -10 0   24 o 75.48643 28.30239 129.9901       138.0504 430.0083       389.6438 86.92345       147.6266 119.1257 46.79446 70.77124 28.47284 48.35446       54.77613 
1 1 1 -10 0   25 o 54.07130 24.06303 -23.31856      125.2697 25.13009       239.2980 -41.60726      147.0245 76.40657 33.66570 56.82312 25.61648 19.58345       42.30347 
1 1 1 -10 0   26 o 61.38232 26.49092 21.53031       141.7323 -338.8733      417.5158 68.47147       150.6799 77.10593 37.27066 67.94031 28.20998 9.165619       46.74297 
1 1 1 -10 0   27 o 78.95444 28.51749 168.8871       138.0050 24.44860       263.2709 223.6135       162.0540 75.92347 34.24830 87.87121 30.99405 -11.94774      46.19066 
1 1 1 -10 0   28 f 101.4165 28.63192 310.4011       144.8719 208.0376       275.9150 349.3626       170.2242 88.09438 37.46472 105.5084 31.41383 -17.41404      48.89206 
1 1 1 -10 0   29 o 82.52594 35.07861 186.5691       241.6748 217.8838       520.4856 177.9621       272.8740 92.08782 43.72258 83.11824 36.30499 8.969582       56.83060 
1 1 1 -10 0   30 o 56.59935 26.59927 -67.56418      183.7079 -66.70155      300.3612 -68.07973      232.2040 68.23663 32.62484 62.23053 29.44559 6.006100       43.94796 
1 1 1 -10 1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 1   4  o 167.9419 7.658572 677.1175       61.32969 669.1237       97.51788 682.3481       78.88260 166.3735 12.34806 168.3565 9.843319 -1.982986      15.79131 
1 1 1 -10 1   5  o 73.49733 12.12996 133.2745       41.13696 177.0452       87.63783 120.9048       46.58840 83.71291 21.71494 69.55457 14.48153 14.15833       26.10083 
1 1 1 -10 1   6  o 384.0701 7.566819 3534.895       138.9416 3719.616       211.8159 3395.386       184.0772 393.2241 11.27870 375.8883 10.25271 17.33575       15.24228 
1 1 1 -10 1   7  o 239.1062 8.369935 1372.762       95.53246 1577.538       161.7658 1263.097       118.3807 255.5108 13.28813 228.9921 10.84396 26.51872       17.15126 
1 1 1 -10 1   8  o 294.5393 9.227761 2084.603       129.7812 2084.132       253.6067 2084.770       151.0596 292.3207 18.23735 294.2781 10.75507 -1.957428      21.17244 
1 1 1 -10 1   9  o 183.3745 10.59996 811.3203       92.53300 855.5640       168.0212 792.0598       110.8593 186.4421 19.12063 180.7715 12.91229 5.670670       23.07218 
1 1 1 -10 1   10 f 325.5929 8.942516 2547.901       139.0694 2656.415       227.3263 2483.000       175.8052 331.0485 14.39758 320.8536 11.47933 10.19482       18.41373 
1 1 1 -10 1   11 o 127.2834 13.70076 396.2468       82.06151 384.2822       127.4267 404.7249       107.2652 123.0735 22.48475 127.6138 18.08760 -4.540321      28.85698 
1 1 1 -10 1   12 o 255.7421 10.49684 1577.872       128.0694 2016.711       228.0237 1375.649       154.7899 287.2694 16.67450 237.9929 13.66151 49.27654       21.55634 
1 1 1 -10 1   13 o 171.8569 14.36393 721.3866       116.9397 580.5892       227.6122 771.8787       136.3045 147.5312 33.08788 177.2915 16.26201 -29.76024      36.86816 
1 1 1 -10 1   14 o 196.1385 14.37708 938.8451       133.8795 1207.523       318.7228 881.2827       147.5255 214.7337 32.02353 189.3940 16.45586 25.33974       36.00418 
1 1 1 -10 1   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 1   16 o 325.8232 13.24583 2579.673       205.9032 3079.250       368.8367 2353.496       248.1741 351.0808 22.08640 309.6386 16.82784 41.44220       27.76662 
1 1 1 -10 1   17 f 220.4300 16.47261 1196.050       172.3414 924.8042       354.0269 1280.292       197.2972 180.0661 41.91227 227.3437 18.30688 -47.27763      45.73598 
1 1 1 -10 1   18 o 258.5192 16.02040 1643.490       197.0313 1603.749       368.2221 1659.433       233.2294 245.4547 32.15047 258.3150 19.01871 -12.86029      37.35457 
1 1 1 -10 1   19 o 112.3153 22.90273 328.0382       118.8064 327.0699       234.0601 328.3744       137.8905 110.0642 37.32447 111.2040 26.34357 -1.139786      45.68479 
1 1 1 -10 1   20 o 69.93954 25.89389 104.8934       114.8475 41.74274       236.9690 124.2805       131.2982 79.99696 34.38627 75.07562 27.70595 4.921341       44.15921 
1 1 1 -10 1   21 o 59.46412 24.86248 29.80788       118.2290 -65.61274      246.3775 58.35438       134.7585 73.17825 33.05932 66.15968 26.98903 7.018570       42.67701 
1 1 1 -10 1   22 o 118.2972 24.32169 370.2930       132.9571 439.0574       267.2413 347.6732       153.2728 122.3974 39.83476 112.8923 28.42150 9.505089       48.93455 
1 1 1 -10 1   23 o 186.8693 20.20070 892.7205       177.6078 1110.840       469.4085 856.2771       191.8723 178.3263 51.92207 181.5396 22.59478 -3.213242      56.62531 
1 1 1 -10 1   24 o 185.8980 18.92596 881.1033       165.8627 1091.120       312.3336 798.6147       195.7441 193.8947 34.98011 173.5422 24.25407 20.35251       42.56605 
1 1 1 -10 1   25 o 50.60339 23.42972 -82.64705      134.2221 65.06243       294.9725 -121.2171      150.7310 84.54969 37.31042 51.29948 24.10395 33.25021       44.41923 
1 1 1 -10 1   26 o 54.15757 24.60162 -43.85909      138.7187 -257.2484      306.8293 10.96269       155.5202 67.47738 32.44857 62.09801 27.25818 5.379364       42.37827 
1 1 1 -10 1   27 o 126.9320 38.25552 554.7414       251.2895 830.7361       543.8643 479.8277       283.3485 126.7759 53.18687 114.7643 40.93371 12.01162       67.11491 
1 1 1 -10 1   28 o 67.70963 30.68799 8.765434       214.3546 -23.75202      333.6373 31.62303       279.7252 76.61687 35.95591 75.32450 34.49104 1.292374       49.82428 
1 1 1 -10 1   29 o 106.5925 30.58518 373.6683       163.9864 294.3492       352.1422 395.6326       185.3054 90.22751 40.23685 107.0354 32.97043 -16.80788      52.01974 
1 1 1 -10 1   30 o 106.2694 29.55235 379.0768       155.5751 618.5785       541.3052 357.5119       162.4282 96.39102 45.41113 101.4768 30.79364 -5.085800      54.86728 
1 1 1 -10 2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 2   4  o 139.8922 7.537450 470.3490       50.22496 488.8513       79.13136 457.8670       64.99463 142.0880 11.75390 137.7400 9.936606 4.348038       15.39124 
1 1 1 -10 2   5  o 377.8104 7.194399 3420.492       129.9501 3602.633       187.9631 3253.719       179.8592 387.1370 10.16425 367.8846 10.23611 19.25235       14.42532 
1 1 1 -10 2   6  o 172.1133 8.481215 712.3753       69.57307 744.7239       107.0979 688.7567       91.51244 175.3206 12.86693 168.8174 11.40542 6.503143       17.19423 
1 1 1 -10 2   7  o 285.4624 7.862854 1955.827       107.2071 2066.580       163.3444 1872.016       142.0945 292.7335 11.69495 278.7968 10.68034 13.93668       15.83798 
1 1 1 -10 2   8  o 106.8217 13.11086 279.4484       65.55492 286.9573       122.0316 276.4025       77.72169 105.7342 24.60446 105.6512 15.87783 0.8296204E-01  29.28284 
1 1 1 -10 2   9  o 149.8701 11.28403 544.1135       80.25761 519.9225       146.1773 554.5527       96.02559 143.8695 21.94578 150.8947 13.45170 -7.025146      25.74035 
1 1 1 -10 2   10 o 223.5962 9.889988 1205.159       105.4612 1376.069       181.9002 1118.621       129.4357 237.3722 16.12429 214.8238 12.65880 22.54837       20.49970 
1 1 1 -10 2   11 o 244.9826 10.23629 1447.782       119.6267 1697.885       209.0433 1325.996       145.8731 263.4261 16.68423 233.7488 13.10570 29.67729       21.21610 
1 1 1 -10 2   12 o 226.6322 11.91642 1244.091       128.6610 1284.357       195.8902 1213.542       170.6236 228.3623 18.09007 222.6114 16.14149 5.750900       24.24455 
1 1 1 -10 2   13 o 325.9737 10.16312 2562.863       158.1930 2896.624       268.9638 2386.341       195.6026 344.1615 16.39357 313.6188 13.07428 30.54263       20.96869 
1 1 1 -10 2   14 o 411.6238 11.04681 4093.210       217.1965 4261.451       456.6010 4044.009       246.9214 412.7021 23.23536 408.4697 12.65946 4.232361       26.46023 
1 1 1 -10 2   15 o 80.86550 24.42454 166.6485       102.3533 202.9963       276.1949 160.8621       110.1997 100.1404 39.37911 80.10641 25.53580 20.03398       46.93391 
1 1 1 -10 2   16 o 222.4531 15.02085 1212.283       158.8136 1504.906       297.2981 1095.438       187.8640 242.4089 26.06169 209.9156 18.92225 32.49335       32.20657 
1 1 1 -10 2   17 o 121.1782 23.75757 381.3910       132.7150 224.8876       183.9620 551.2465       191.6487 94.75155 33.05296 143.9964 28.84479 -49.24485      43.86935 
1 1 1 -10 2   18 o 185.8546 17.01491 857.2255       149.5103 902.0886       215.0629 815.2635       207.9932 187.0886 24.64278 177.4282 25.23017 9.660385       35.26794 
1 1 1 -10 2   19 o 256.2380 14.33893 1609.767       174.9576 1677.506       269.2994 1560.294       230.1435 257.2633 22.10945 249.6730 19.43347 7.590286       29.43616 
1 1 1 -10 2   20 o 302.6628 13.76630 2241.066       198.6764 2095.295       319.8273 2332.664       253.5261 286.4032 23.56595 306.7495 17.35826 -20.34625      29.26881 
1 1 1 -10 2   21 o 262.1314 14.52796 1690.050       181.3552 2016.584       283.0663 1462.694       236.1989 282.1093 21.14135 240.3017 20.76299 41.80762       29.63205 
1 1 1 -10 2   22 o 79.29842 26.13166 162.8796       114.8456 75.26319       209.6458 200.4462       137.2760 77.83462 32.85900 86.88790 28.56673 -9.053284      43.54046 
1 1 1 -10 2   23 o 61.97762 25.06385 59.42743       115.0428 53.62629       214.1826 61.77971       136.3870 75.86008 32.65065 65.77633 27.02834 10.08375       42.38627 
1 1 1 -10 2   24 o 90.26180 26.86057 224.8559       124.4794 260.5592       229.0122 209.8842       148.2996 97.23762 36.45398 87.77221 29.71027 9.465408       47.02757 
1 1 1 -10 2   25 o 169.1324 23.18474 764.5541       182.5435 809.8579       261.5246 721.5118       254.9135 164.3976 34.38163 153.9016 35.38540 10.49603       49.33785 
1 1 1 -10 2   26 o 79.86088 33.31471 138.6587       211.5640 129.9305       405.3614 141.9263       248.0241 91.18153 41.66439 82.78751 35.37373 8.394012       54.65549 
1 1 1 -10 2   27 o 105.4614 29.17439 340.3796       152.0587 84.94434       422.9560 378.2953       162.9539 87.01484 40.72243 110.5805 30.04688 -23.56565      50.60762 
1 1 1 -10 2   28 o 73.28521 27.91488 148.2345       135.5264 -7.100638      260.6667 205.7803       158.6564 70.21852 32.56008 82.06818 30.42520 -11.84966      44.56289 
1 1 1 -10 2   29 o 113.0043 27.38523 402.4542       146.3853 511.4943       281.8193 362.1638       171.3083 107.0885 40.37651 101.8915 31.75359 5.196983       51.36685 
1 1 1 -10 3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 3   4  o 296.7667 6.939492 2110.637       98.45805 2228.967       141.4995 1999.572       137.0867 304.4452 9.734104 288.2959 9.960965 16.14932       13.92744 
1 1 1 -10 3   5  o 368.9790 7.169323 3263.783       126.4702 3336.681       179.4372 3191.823       178.2802 372.4232 10.08712 364.2059 10.24896 8.217316       14.38024 
1 1 1 -10 3   6  o 186.0429 7.914697 831.9117       70.23642 896.4417       106.3447 781.9847       93.54111 192.5495 11.60610 179.9122 10.92663 12.63734       15.94028 
1 1 1 -10 3   7  o 393.7164 7.549948 3718.671       142.1137 3784.194       206.6693 3659.898       195.7344 396.2569 10.91955 389.8060 10.51252 6.450897       15.15750 
1 1 1 -10 3   8  o 210.9940 8.749989 1071.400       88.07292 1139.878       134.1784 1019.563       116.7419 216.7789 13.00646 205.2152 11.95066 11.56374       17.66313 
1 1 1 -10 3   9  o 395.8160 8.053555 3762.212       152.4015 3609.362       222.6682 3896.917       209.0339 386.4180 12.06772 401.9409 10.88795 -15.52298      16.25354 
1 1 1 -10 3   10 o 193.4487 10.51058 904.4724       96.84264 1100.471       152.6814 772.5441       125.2647 212.2518 15.14571 177.7295 14.87857 34.52237       21.23121 
1 1 1 -10 3   11 o 180.7164 11.16609 791.0774       96.00208 680.5586       142.4393 883.0694       129.9531 165.6885 18.28542 190.1731 14.40022 -24.48459      23.27494 
1 1 1 -10 3   12 o 278.0762 10.13784 1866.013       134.5520 1802.850       213.9054 1907.368       173.0830 271.1944 16.57725 280.3168 12.95006 -9.122437      21.03591 
1 1 1 -10 3   13 o 277.9617 10.79119 1867.652       143.1321 2008.781       231.7617 1780.634       181.9848 285.9639 17.02917 270.3264 14.13022 15.63757       22.12816 
1 1 1 -10 3   14 o 120.3093 22.17260 370.9943       122.8358 511.2250       216.7792 304.6750       149.0789 137.1546 33.37997 107.1697 28.57495 29.98495       43.94030 
1 1 1 -10 3   15 o 355.2823 12.50511 3064.972       212.0760 3360.315       380.0128 2931.381       255.5780 366.3377 21.79596 346.0102 15.48919 20.32748       26.73908 
1 1 1 -10 3   16 o 223.8585 15.60373 1232.656       165.9522 1286.266       316.5034 1212.329       194.8905 220.1283 30.92587 220.6793 18.64663 -0.5510101     36.11241 
1 1 1 -10 3   17 o 70.63299 24.34316 118.7379       99.64742 265.9987       182.5164 56.20246       118.9382 100.1768 32.93947 63.23579 25.51609 36.94102       41.66629 
1 1 1 -10 3   18 o 203.9524 19.21587 1043.391       185.1606 1240.682       333.2430 955.2795       222.7018 212.8984 33.87386 192.1281 24.82482 20.77032       41.99655 
1 1 1 -10 3   19 o 61.33512 26.45803 6.684471       141.2501 33.97162       194.5031 -23.76447      205.4629 73.09919 31.28199 69.87843 30.97297 3.220764       44.02145 
1 1 1 -10 3   20 o 123.8214 26.98590 411.9324       155.2278 581.0910       219.4696 242.6018       219.5811 144.4779 32.55613 97.72986 35.86997 46.74800       48.44127 
1 1 1 -10 3   21 o 135.7814 26.37065 496.4095       165.0144 462.5446       234.9933 529.3521       231.7713 125.1942 36.81652 134.7088 35.49627 -9.514656      51.14139 
1 1 1 -10 3   22 o 53.46569 23.96015 -33.36789      126.5074 336.2210       360.4458 -85.29116      135.1019 110.0744 44.41818 50.85257 23.53154 59.22184       50.26637 
1 1 1 -10 3   23 f 111.7933 27.63095 349.5554       146.8231 222.0802       385.6779 371.1607       158.7786 101.3930 43.72852 114.5137 28.98160 -13.12073      52.46062 
1 1 1 -10 3   24 o 86.47701 34.39534 179.7747       212.9240 213.0692       403.9480 166.9650       250.5581 100.0557 43.92485 87.85941 36.41984 12.19633       57.05959 
1 1 1 -10 3   25 o 78.29325 33.29345 111.5247       217.8610 55.87072       417.8819 132.2977       255.3023 89.17842 41.30797 83.03311 35.69150 6.145309       54.59150 
1 1 1 -10 3   26 o 103.1876 30.13250 329.5521       157.8901 1284.908       444.1873 191.3847       168.9220 172.8350 50.56023 81.93610 31.17572 90.89890       59.39918 
1 1 1 -10 3   27 f 88.23576 30.53192 244.3722       156.8147 491.7416       452.1807 210.5545       167.1905 104.2890 46.10025 83.25875 31.16096 21.03025       55.64386 
1 1 1 -10 3   28 o 65.66254 29.74133 34.73540       200.9499 127.4315       294.1080 -46.42796      275.2049 77.85129 35.54127 67.58435 32.00180 10.26694       47.82570 
1 1 1 -10 3   29 o 47.49043 22.64586 -101.4669      142.7147 158.6365       301.1829 -176.7778      162.0639 76.76655 35.38449 46.62523 22.69555 30.14132       42.03749 
1 1 1 -10 4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 4   4  f 19.99902 8.280181 2.414354       12.92985 0.000000       0.000000 2.414354       12.92985 ?        ?        19.99902 8.280181 0.000000       8.280181 
1 1 1 -10 4   5  o 68.52903 14.17393 117.8323       44.90440 117.8323       44.90440 0.000000       0.000000 68.52903 14.17393 ?        ?        0.000000       14.17393 
1 1 1 -10 4   6  o 249.5291 7.441479 1495.415       88.67544 1449.429       124.6378 1542.553       126.1886 245.0522 10.66409 252.8612 10.46089 -7.809006      14.93831 
1 1 1 -10 4   7  o 56.05042 16.40318 78.00700       46.74438 137.3889       64.76603 13.44110       67.53389 73.50294 18.45852 45.35539 18.86357 28.14755       26.39227 
1 1 1 -10 4   8  o 308.5877 8.077232 2289.051       119.0628 2234.101       170.7320 2341.075       166.1229 303.9098 11.77292 311.2892 11.18055 -7.379364      16.23596 
1 1 1 -10 4   9  o 43.21846 18.20903 7.052202       64.17393 -21.58648      96.29803 29.93137       86.07184 48.51013 21.36595 52.94004 21.57956 -4.429913      30.36744 
1 1 1 -10 4   10 o 66.72933 21.16693 109.1676       75.79538 205.7663       116.9505 39.20799       99.52684 89.29585 25.89245 57.41148 23.27792 31.88438       34.81782 
1 1 1 -10 4   11 o 228.9032 10.85524 1267.539       118.4569 1393.644       184.3519 1178.859       154.5957 238.3244 16.27743 219.6044 14.81139 18.72003       22.00755 
1 1 1 -10 4   12 o 328.4055 10.58300 2606.057       165.9435 2463.627       298.1089 2670.006       199.7529 315.0437 19.89386 331.6674 12.62045 -16.62366      23.55932 
1 1 1 -10 4   13 o 71.52907 24.80933 119.5817       103.5668 -104.9257      161.1294 277.6277       135.1920 56.10079 25.86693 102.5129 27.15582 -46.41210      37.50382 
1 1 1 -10 4   14 o 148.4287 17.80585 549.8817       123.8347 663.5444       195.5676 473.8058       159.9968 159.4894 26.58338 134.5895 25.80387 24.89984       37.04748 
1 1 1 -10 4   15 o 195.4855 18.21544 952.2413       168.2811 1069.451       271.9540 879.5164       214.2179 201.3248 29.09774 184.6241 24.90390 16.70062       38.29991 
1 1 1 -10 4   16 o 334.0554 12.74820 2718.953       203.2254 3016.118       330.9017 2538.984       257.5133 347.1379 20.02328 320.5291 16.86376 26.60880       26.17859 
1 1 1 -10 4   17 o 308.2326 14.88867 2333.678       218.7543 2421.448       335.2607 2268.607       288.6713 308.4545 22.89768 300.5360 20.20834 7.918457       30.53983 
1 1 1 -10 4   18 o 89.37796 24.70110 211.2459       109.0624 135.1720       191.4208 247.8102       132.7089 83.05921 32.74619 96.17693 27.48802 -13.11771      42.75399 
1 1 1 -10 4   19 o 105.9181 26.11472 301.6223       131.3908 70.65203       335.3473 343.5089       142.8087 92.05761 40.22748 112.8316 26.86206 -20.77404      48.37169 
1 1 1 -10 4   20 o 157.4809 22.76249 646.9470       166.4121 627.9239       232.9706 666.7650       237.7879 148.1859 33.65409 152.9833 33.44640 -4.797379      47.44744 
1 1 1 -10 4   21 o 120.4089 33.78300 424.2706       202.3421 768.8605       368.0058 274.9541       242.2463 150.9291 46.45806 100.1647 37.50464 50.76437       59.70720 
1 1 1 -10 4   22 o 44.30936 21.27181 -161.6995      130.6015 -205.6327      382.5309 -155.9028      138.9506 79.28361 37.59663 46.55167 22.23869 32.73194       43.68141 
1 1 1 -10 4   23 o 133.1240 23.06175 475.5029       141.4620 222.9021       247.5584 597.9763       172.3777 92.93277 37.04648 148.1109 25.24830 -55.17815      44.83212 
1 1 1 -10 4   24 o 173.0877 23.93390 817.1827       192.7616 811.5316       272.5719 822.8367       272.6403 160.0348 36.44389 161.4607 36.21404 -1.425919      51.37717 
1 1 1 -10 4   25 o 158.3644 21.47115 680.7239       158.3792 664.0558       278.9161 688.6561       192.4086 135.7349 40.16080 154.1751 27.09193 -18.44016      48.44443 
1 1 1 -10 4   26 o 62.06524 26.53520 53.95927       139.7146 336.1083       267.2404 -52.16579      163.8973 96.83601 38.52762 56.27236 25.99666 40.56364       46.47800 
1 1 1 -10 4   27 f 131.0894 32.88657 581.4709       205.7350 714.9433       293.4632 452.4693       288.5066 130.8807 41.66559 103.1504 40.34093 27.73024       57.99493 
1 1 1 -10 4   28 o 64.74154 27.49454 95.34995       148.2428 355.1574       290.7458 4.081295       172.3251 89.77012 38.32669 59.02561 27.04420 30.74451       46.90761 
1 1 1 -10 5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 5   3  o 97.78191 11.28928 233.6287       51.80768 0.000000       0.000000 233.6287       51.80768 ?        ?        97.78191 11.28928 0.000000       11.28928 
1 1 1 -10 5   4  o 118.7813 12.38776 344.6521       69.31493 0.000000       0.000000 344.6521       69.31493 ?        ?        118.7813 12.38776 0.000000       12.38776 
1 1 1 -10 5   5  o 65.41763 8.223125 104.4145       25.15130 146.1533       52.19235 91.79005       28.70406 76.30755 14.84090 60.92004 10.21679 15.38751       18.01763 
1 1 1 -10 5   6  o 117.8527 9.433178 336.3961       52.70689 400.4361       69.23251 248.1118       81.28802 128.2915 11.40645 99.27022 17.78073 29.02133       21.12490 
1 1 1 -10 5   7  o 74.51072 16.07827 140.4362       55.59243 190.2634       77.15853 86.64774       80.16689 86.34990 19.18822 62.22711 21.81155 24.12279       29.05050 
1 1 1 -10 5   8  o 176.2970 8.703756 749.3409       73.13330 780.5464       105.3648 720.3311       101.5907 179.1736 12.37627 172.0775 12.43253 7.096085       17.54251 
1 1 1 -10 5   9  o 54.98056 19.28077 66.89066       62.64760 -1.969369      82.98405 158.1432       95.52864 47.29578 20.33952 78.83869 23.54740 -31.54291      31.11553 
1 1 1 -10 5   10 o 95.91112 15.56066 229.9640       68.90883 249.9589       114.9596 218.7509       86.08910 97.81810 24.60748 92.35950 20.07115 5.458595       31.75499 
1 1 1 -10 5   11 o 211.2614 10.98805 1081.553       110.5997 1232.820       156.7481 931.5777       156.0772 224.4267 14.68971 194.1679 16.98415 30.25880       22.45549 
1 1 1 -10 5   12 f 144.2638 13.39927 510.2634       91.35961 654.3841       152.4793 429.5491       114.1098 161.1799 20.23216 130.6334 18.81259 30.54646       27.62705 
1 1 1 -10 5   13 o 252.2522 11.21672 1543.671       134.9341 1455.151       197.7813 1620.747       184.5557 242.5235 17.16878 256.9822 15.08797 -14.45868      22.85638 
1 1 1 -10 5   14 o 106.6347 19.21494 290.3331       94.35674 243.5654       117.1464 376.7177       159.2114 95.92266 25.21669 118.2637 28.49712 -22.34106      38.05217 
1 1 1 -10 5   15 o 188.3308 17.14253 882.6576       152.6595 951.3291       248.1946 840.8674       193.6162 189.5670 28.24670 181.0644 22.87629 8.502548       36.34833 
1 1 1 -10 5   16 o 100.8258 26.93336 272.8035       132.2895 704.4043       243.2473 91.53489       157.6407 159.6763 32.95702 73.73324 29.50566 85.94309       44.23516 
1 1 1 -10 5   17 o 126.4524 30.51518 439.8459       182.3513 96.30182       258.3868 780.7269       257.3835 86.43881 36.48471 167.7721 33.26424 -81.33330      49.37249 
1 1 1 -10 5   18 o 164.2741 25.79509 713.5374       195.9206 508.5778       281.4538 906.2163       272.8916 130.0640 40.72658 180.5720 32.81903 -50.50795      52.30433 
1 1 1 -10 5   19 o 209.4162 15.82177 1093.355       157.2350 1134.800       227.9067 1055.710       217.2066 208.5684 23.25092 201.2941 22.98139 7.274323       32.69173 
1 1 1 -10 5   20 o 349.2663 14.56886 3022.210       242.7371 2944.834       378.7330 3076.152       316.2250 335.1557 23.79088 348.0563 19.07665 -12.90063      30.49467 
1 1 1 -10 5   21 o 192.6475 24.71681 994.1369       222.4098 1122.034       350.1990 907.6766       287.9339 189.7191 39.87794 174.2782 35.75741 15.44098       53.56158 
1 1 1 -10 5   22 o 152.9796 20.23408 611.3373       144.3623 732.6558       241.0005 543.4458       180.2861 157.4736 33.06565 138.8663 28.12092 18.60730       43.40650 
1 1 1 -10 5   23 f 100.1982 32.55143 307.1688       178.4944 343.2568       239.3930 261.9888       267.8570 103.2093 37.51981 94.90092 38.29226 8.308334       53.61001 
1 1 1 -10 5   24 o 45.28385 21.93057 -184.6777      146.3003 120.6516       408.0339 -229.7208      156.7206 88.31474 40.87659 45.07704 22.02427 43.23770       46.43237 
1 1 1 -10 5   25 o 71.44339 28.15835 130.1888       141.5039 -55.15313      257.6281 210.2591       169.3332 67.77352 31.73845 83.20203 31.31361 -15.42850      44.58554 
1 1 1 -10 5   26 o 80.96511 32.79082 203.5690       197.2397 376.7886       269.5866 4.038050       289.3376 97.25553 38.69577 71.72605 33.60409 25.52948       51.25034 
1 1 1 -10 5   27 o 135.4002 26.62738 572.5690       166.2224 435.3205       297.6870 634.7483       200.3681 96.01548 39.73970 136.2809 31.39894 -40.26537      50.64718 
1 1 1 -10 6   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 6   2  o 57.53291 17.76445 81.15775       53.75658 0.000000       0.000000 81.15775       53.75658 ?        ?        57.53291 17.76445 0.000000       17.76445 
1 1 1 -10 6   3  o 190.2142 7.578719 870.2255       68.78234 0.000000       0.000000 870.2255       68.78234 ?        ?        190.2142 7.578719 0.000000       7.578719 
1 1 1 -10 6   4  o 226.1058 7.397475 1228.810       79.85804 0.000000       0.000000 1228.810       79.85804 ?        ?        226.1058 7.397475 0.000000       7.397475 
1 1 1 -10 6   5  o 68.90729 10.74690 117.2407       34.24959 0.000000       0.000000 117.2407       34.24959 ?        ?        68.90729 10.74690 0.000000       10.74690 
1 1 1 -10 6   6  f 147.3237 7.045465 522.2081       49.48004 503.6787       89.55024 530.3512       59.36512 143.5121 13.19953 148.2684 8.409276 -4.756241      15.65067 
1 1 1 -10 6   7  o 130.1760 10.58748 411.7211       65.32349 410.4610       80.41089 414.1665       112.0201 129.4065 13.18102 128.4050 18.80487 1.001465       22.96437 
1 1 1 -10 6   8  o 138.5249 12.24322 468.4436       80.24952 400.4163       105.3891 562.3168       123.8012 126.4389 17.93723 150.3421 17.55404 -23.90317      25.09758 
1 1 1 -10 6   9  o 136.5761 13.41872 457.5656       86.48809 452.4423       113.8481 464.5574       132.9977 134.3994 18.18430 135.1267 21.29096 -0.7272186     27.99953 
1 1 1 -10 6   10 f 361.0133 9.985427 3148.746       172.1793 3116.430       197.4817 3251.173       351.5807 358.5216 11.53636 360.8344 20.46410 -2.312775      23.49185 
1 1 1 -10 6   11 o 276.3109 9.550801 1844.588       125.9774 1713.528       166.3350 2020.900       192.9258 265.0341 13.16848 287.4709 14.08028 -22.43680      19.27857 
1 1 1 -10 6   12 o 102.8522 17.48831 267.8416       82.91891 307.0971       131.6332 242.0179       106.7639 107.4638 25.92250 95.95580 23.46988 11.50799       34.96871 
1 1 1 -10 6   13 o 182.9695 14.70946 824.9223       127.5886 796.7410       174.6989 857.1367       186.7814 177.0866 21.04576 183.4083 21.72253 -6.321716      30.24553 
1 1 1 -10 6   14 o 270.4810 12.02444 1781.870       155.1040 1687.918       213.5077 1886.860       225.7001 260.7118 17.22602 275.7143 17.20818 -15.00244      24.34866 
1 1 1 -10 6   15 o 129.0228 21.69493 429.7758       129.0798 532.4437       266.4977 398.3072       147.5415 134.8555 39.08068 122.2509 26.04174 12.60467       46.96245 
1 1 1 -10 6   16 o 284.3448 15.22439 1994.922       206.2088 2291.071       308.0263 1754.407       277.5894 300.1450 21.61053 261.9088 22.38326 38.23618       31.11311 
1 1 1 -10 6   17 o 121.6688 21.08709 384.7217       118.2177 450.9684       163.9412 312.9596       170.6293 128.7181 27.47697 105.6789 31.44792 23.03922       41.76069 
1 1 1 -10 6   18 o 236.3692 16.36168 1398.035       183.7549 1280.078       233.7876 1588.689       297.2234 221.9303 22.33770 244.2410 25.84566 -22.31075      34.16096 
1 1 1 -10 6   19 o 100.1561 25.84077 276.6450       124.5550 139.2230       175.4990 416.1168       176.8030 79.68282 31.37325 120.4323 30.63839 -40.74949      43.85194 
1 1 1 -10 6   20 o 421.1698 13.21289 4380.705       265.7210 4208.417       377.2472 4550.349       374.3420 405.1918 19.53161 422.7263 18.56786 -17.53448      26.94901 
1 1 1 -10 6   21 o 102.8120 31.12077 311.9803       166.0417 299.6351       313.8735 316.7776       195.6615 101.4890 41.26861 102.4243 34.12127 -0.9353561     53.54773 
1 1 1 -10 6   22 o 172.5078 19.75274 784.6440       159.9746 1076.526       228.8092 505.5218       223.7520 197.3519 24.79673 124.7412 35.70554 72.61065       43.47141 
1 1 1 -10 6   23 o 63.95617 30.13498 -102.5343      238.5296 -451.2701      349.3670 201.9703       326.4604 63.21290 31.27068 88.65285 39.18041 -25.43996      50.12943 
1 1 1 -10 6   24 o 106.0482 29.64608 355.1667       156.1206 333.4712       230.4128 373.5813       212.2763 96.92384 36.51645 102.8989 35.52706 -5.975113      50.94725 
1 1 1 -10 6   25 o 71.23833 30.69327 111.7776       189.6502 75.88998       235.5324 177.9430       319.8114 71.69874 32.36351 82.12611 37.32542 -10.42737      49.40226 
1 1 1 -10 6   26 o 105.6189 32.02726 402.6861       175.7469 148.7512       408.1111 460.4985       194.7277 79.15177 37.89352 110.9029 33.72949 -31.75112      50.73063 
1 1 1 -10 7   1  o 213.6095 7.642307 1097.678       77.92071 0.000000       0.000000 1097.678       77.92071 ?        ?        213.6095 7.642307 0.000000       7.642307 
1 1 1 -10 7   2  o 258.1053 7.268834 1601.167       89.60606 0.000000       0.000000 1601.167       89.60606 ?        ?        258.1053 7.268834 0.000000       7.268834 
1 1 1 -10 7   3  o 322.6649 7.645021 2501.825       117.9340 0.000000       0.000000 2501.825       117.9340 ?        ?        322.6649 7.645021 0.000000       7.645021 
1 1 1 -10 7   4  o 111.4066 9.657604 301.4006       50.93097 0.000000       0.000000 301.4006       50.93097 ?        ?        111.4066 9.657604 0.000000       9.657604 
1 1 1 -10 7   5  o 78.11489 10.77814 150.1278       39.18026 0.000000       0.000000 150.1278       39.18026 ?        ?        78.11489 10.77814 0.000000       10.77814 
1 1 1 -10 7   6  f 141.7185 8.895862 485.6375       59.96897 0.000000       0.000000 485.6375       59.96897 ?        ?        141.7185 8.895862 0.000000       8.895862 
1 1 1 -10 7   7  o 30.71268 11.60407 16.61386       23.30499 -48.85287      60.13386 28.18461       25.28073 33.77339 15.65303 35.65637 12.26244 -1.882977      19.88428 
1 1 1 -10 7   8  o 303.2402 8.374309 2215.882       121.2909 2240.235       157.9413 2180.875       189.3658 304.0674 10.88224 299.0263 13.27909 5.041168       17.16850 
1 1 1 -10 7   9  o 185.8441 10.42038 837.8927       92.21419 862.0663       111.5823 785.8148       163.7763 187.9196 12.49071 176.6521 19.72847 11.26744       23.35016 
1 1 1 -10 7   10 o 39.92946 18.54085 -68.12877      84.97070 -72.16276      104.7350 -60.36072      145.3384 45.16411 20.83515 55.85836 25.29771 -10.69426      32.77313 
1 1 1 -10 7   11 o 213.2285 11.16268 1105.465       113.3983 1212.873       149.7913 961.2651       173.5602 222.2524 14.17098 195.7752 18.77294 26.47719       23.52105 
1 1 1 -10 7   12 o 38.70426 16.92300 -9.674196      59.42406 -16.82034      63.64797 38.86834       165.8861 39.06355 17.28045 68.98254 29.18082 -29.91899      33.91363 
1 1 1 -10 7   13 o 164.9372 15.08498 673.3209       117.6364 695.7657       145.3372 630.6829       200.3161 166.2456 18.60467 153.2864 28.37897 12.95927       33.93375 
1 1 1 -10 7   14 o 104.5128 19.99450 282.2991       96.26643 81.58512       142.9746 448.7548       130.2025 70.06101 28.07804 131.8225 21.39224 -61.76150      35.29878 
1 1 1 -10 7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 7   16 o 210.9315 13.87134 1099.933       139.1076 1204.129       192.1618 985.2097       201.6358 217.9203 18.62255 194.7716 22.04065 23.14868       28.85463 
1 1 1 -10 7   17 o 139.3258 19.65953 501.7341       127.3169 445.4724       158.5172 603.9957       213.7108 127.1599 26.91483 145.1904 31.68050 -18.03043      41.56997 
1 1 1 -10 7   18 o 132.3234 31.15810 506.9210       193.8311 564.6034       301.0962 466.0994       253.2962 130.3907 42.27131 121.3945 38.71641 8.996208       57.32211 
1 1 1 -10 7   19 o 192.4565 19.08442 954.7192       173.2878 506.9570       330.3310 1124.724       203.5432 121.3957 44.08208 207.6563 20.78123 -86.26062      48.73489 
1 1 1 -10 7   20 o 130.4965 35.31398 536.2571       225.6375 462.7369       343.1036 592.2847       299.5179 114.1163 44.17138 129.8372 42.16563 -15.72089      61.06596 
1 1 1 -10 7   21 o 70.93806 29.49243 97.91380       164.9911 -29.84531      331.1207 140.1113       190.2977 77.58986 36.21965 77.65720 31.92009 -0.6733704E-01 48.27789 
1 1 1 -10 7   22 o 81.09388 31.12433 191.7393       169.3223 129.4972       196.9679 367.9615       331.4239 75.60064 31.87943 99.03923 41.53288 -23.43859      52.35721 
1 1 1 -10 7   23 o 63.03836 26.81244 65.50060       141.3521 93.95483       199.3906 36.75254       200.4175 71.53101 31.14228 67.01772 30.08577 4.513290       43.30121 
1 1 1 -10 7   24 o 64.18638 30.44588 -66.46458      251.1944 -198.7786      361.4734 57.10391       349.3231 67.93741 33.24778 76.36761 36.12921 -8.430206      49.09924 
1 1 1 -10 7   25 f 74.21001 29.60129 177.8266       158.1512 161.3992       230.2963 192.4881       217.5653 74.27913 32.86401 76.47549 32.91141 -2.196365      46.51026 
1 1 1 -10 8   1  o 46.25569 15.37073 49.92245       39.71028 0.000000       0.000000 49.92245       39.71028 ?        ?        46.25569 15.37073 0.000000       15.37073 
1 1 1 -10 8   2  o 265.3430 7.869164 1695.099       99.71593 0.000000       0.000000 1695.099       99.71593 ?        ?        265.3430 7.869164 0.000000       7.869164 
1 1 1 -10 8   3  o 230.6496 8.107354 1281.918       89.26151 0.000000       0.000000 1281.918       89.26151 ?        ?        230.6496 8.107354 0.000000       8.107354 
1 1 1 -10 8   4  o 192.4816 8.506441 894.1534       78.08569 0.000000       0.000000 894.1534       78.08569 ?        ?        192.4816 8.506441 0.000000       8.506441 
1 1 1 -10 8   5  o 97.15812 11.10094 231.5126       50.63970 0.000000       0.000000 231.5126       50.63970 ?        ?        97.15812 11.10094 0.000000       11.10094 
1 1 1 -10 8   6  o 51.05825 14.66959 65.33126       37.70080 0.000000       0.000000 65.33126       37.70080 ?        ?        51.05825 14.66959 0.000000       14.66959 
1 1 1 -10 8   7  o 175.6105 9.569734 747.0296       80.04134 0.000000       0.000000 747.0296       80.04134 ?        ?        175.6105 9.569734 0.000000       9.569734 
1 1 1 -10 8   8  o 325.0380 6.550360 2538.129       101.7906 2709.953       171.1750 2444.129       126.6086 334.3001 10.72402 318.3691 8.325236 15.93097       13.57624 
1 1 1 -10 8   9  f 214.8344 7.346344 1111.589       75.34320 1078.050       128.6955 1129.078       92.93400 209.9422 12.88404 216.1136 9.014442 -6.171341      15.72446 
1 1 1 -10 8   10 o 140.1538 11.99208 480.9654       79.58266 519.3074       105.4551 430.2413       121.2934 144.5635 15.49982 129.6971 20.22054 14.86639       25.47773 
1 1 1 -10 8   11 o 410.1841 10.16455 4073.983       199.3313 4090.253       224.0737 4012.274       436.3826 410.1546 11.43824 396.0771 23.14601 14.07755       25.81803 
1 1 1 -10 8   12 o 212.3763 12.71635 1105.013       128.5237 967.1653       164.8857 1318.438       205.1660 196.3744 17.75423 228.7963 18.92548 -32.42184      25.94969 
1 1 1 -10 8   13 o 326.1842 10.62795 2587.675       165.5163 2304.852       212.2874 3026.158       264.3278 305.5189 14.57579 349.1414 15.87710 -43.62256      21.55309 
1 1 1 -10 8   14 o 187.2552 22.00749 912.1424       193.2645 947.7023       259.1985 867.6207       290.0269 184.5251 30.44175 171.1525 36.55543 13.37259       47.57100 
1 1 1 -10 8   15 o 160.3789 30.39308 724.7928       224.5124 724.7928       224.5124 0.000000       0.000000 160.3789 30.39308 ?        ?        0.000000       30.39308 
1 1 1 -10 8   16 o 220.5946 14.07653 1209.554       147.6818 1204.941       188.8131 1216.823       237.0191 217.3172 18.34429 214.1711 23.53540 3.146072       29.84004 
1 1 1 -10 8   17 o 259.9417 14.09982 1681.132       174.5697 1686.897       211.9204 1668.960       307.9094 257.8734 17.28918 247.3013 26.45326 10.57213       31.60207 
1 1 1 -10 8   18 o 158.3380 19.32105 653.4174       143.2341 641.1504       168.2395 685.7300       273.0528 153.8250 23.63134 145.1831 38.65501 8.641922       45.30619 
1 1 1 -10 8   19 o 60.25408 25.74887 38.05147       131.4463 -107.8596      239.9564 100.6075       157.1169 64.92475 30.47649 70.78092 29.03908 -5.856171      42.09613 
1 1 1 -10 8   20 o 250.6426 17.95026 1643.755       213.6727 1656.866       294.3735 1629.154       310.6400 240.7712 25.98431 235.5500 28.14059 5.221161       38.30244 
1 1 1 -10 8   21 o 123.7824 28.21532 467.5573       163.2496 229.8686       313.6975 555.8361       191.1767 87.88315 38.64038 132.5728 30.75882 -44.68962      49.38810 
1 1 1 -10 8   22 o 50.55791 23.88087 -94.78513      151.4939 -506.4153      356.6439 -4.160907      167.3414 60.46083 30.18535 59.44956 27.01155 1.011276       40.50653 
1 1 1 -10 8   23 o 60.07123 27.67585 -4.027108      183.9388 98.13952       222.2566 -226.1121      327.6874 70.53812 31.67304 63.54554 31.21238 6.992573       44.46790 
1 1 1 -10 8   24 f 63.72320 27.84955 86.54233       160.7722 308.8368       246.6140 -77.76046      212.0196 84.98360 35.74435 57.42683 27.44395 27.55677       45.06472 
1 1 1 -10 9   1  f 53.09626 17.11837 68.20535       49.42081 0.000000       0.000000 68.20535       49.42081 ?        ?        53.09626 17.11837 0.000000       17.11837 
1 1 1 -10 9   2  o 35.39275 14.13430 15.98308       36.10032 0.000000       0.000000 15.98308       36.10032 ?        ?        35.39275 14.13430 0.000000       14.13430 
1 1 1 -10 9   3  o 203.8876 8.509110 1003.682       82.76135 0.000000       0.000000 1003.682       82.76135 ?        ?        203.8876 8.509110 0.000000       8.509110 
1 1 1 -10 9   4  o 84.61448 12.79842 178.0706       50.15792 0.000000       0.000000 178.0706       50.15792 ?        ?        84.61448 12.79842 0.000000       12.79842 
1 1 1 -10 9   5  o 160.2051 9.705792 622.4885       73.99011 0.000000       0.000000 622.4885       73.99011 ?        ?        160.2051 9.705792 0.000000       9.705792 
1 1 1 -10 9   6  o 103.5812 10.51585 262.4225       51.35453 0.000000       0.000000 262.4225       51.35453 ?        ?        103.5812 10.51585 0.000000       10.51585 
1 1 1 -10 9   7  o 118.8092 10.74057 344.8823       60.34961 0.000000       0.000000 344.8823       60.34961 ?        ?        118.8092 10.74057 0.000000       10.74057 
1 1 1 -10 9   8  o 61.20306 16.00672 95.83152       47.36056 0.000000       0.000000 95.83152       47.36056 ?        ?        61.20306 16.00672 0.000000       16.00672 
1 1 1 -10 9   9  o 212.9987 9.190974 1098.866       93.37350 0.000000       0.000000 1098.866       93.37350 ?        ?        212.9987 9.190974 0.000000       9.190974 
1 1 1 -10 9   10 o 181.1279 8.649055 794.5469       74.68022 696.5165       127.5581 845.6720       92.11810 166.8399 16.19539 186.3524 10.38057 -19.51250      19.23660 
1 1 1 -10 9   11 o 123.9651 14.33780 383.7480       83.41021 275.5319       110.5915 526.5242       127.0292 101.3302 23.31354 143.3577 19.00170 -42.02750      30.07633 
1 1 1 -10 9   12 o 121.7092 15.14583 372.4833       86.22881 277.0110       114.8762 495.7013       130.5054 101.0793 24.11056 138.1628 20.36761 -37.08349      31.56198 
1 1 1 -10 9   13 o 182.3622 13.98895 826.6007       121.0318 794.9119       170.2043 859.0150       172.1418 174.9080 20.75847 182.3486 20.07772 -7.440643      28.87956 
1 1 1 -10 9   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 9   15 o 407.8997 16.41125 4192.385       319.3861 3844.704       436.1801 4594.287       468.9596 379.4349 24.17040 415.7067 23.69422 -36.27179      33.84707 
1 1 1 -10 9   16 o 311.5166 15.64039 2446.529       232.1911 2443.322       320.5446 2450.069       336.7935 303.4392 22.25043 302.1559 23.49902 1.283295       32.36179 
1 1 1 -10 9   17 o 137.3859 33.82941 594.6878       220.7004 688.2697       295.0682 475.8490       332.5108 138.6201 41.38010 112.5128 43.50215 26.10728       60.03957 
1 1 1 -10 9   18 o 87.54122 24.52792 221.4852       106.7391 248.4526       112.5928 -17.82257      335.4049 92.50204 24.90863 77.25326 36.18940 15.24878       43.93304 
1 1 1 -10 9   19 o 41.70299 20.32932 -186.7474      131.3633 -168.1039      176.9125 -209.6589      196.1201 51.17005 24.61502 52.20316 25.30759 -1.033104      35.30402 
1 1 1 -10 9   20 o 84.00565 28.65949 220.8520       138.0259 77.33300       199.6528 352.2403       191.0289 69.74014 30.73869 100.4194 33.71944 -30.67928      45.62749 
1 1 1 -10 9   21 o 92.02995 34.13493 314.1000       199.7493 276.8102       253.7417 374.8659       323.9117 86.35352 36.28504 92.54597 39.99429 -6.192451      54.00137 
1 1 1 -10 9   22 o 155.0027 24.99926 735.5974       178.9560 682.4231       290.0802 768.2696       227.3823 118.6959 41.49871 146.2077 33.27951 -27.51180      53.19463 
1 1 1 -10 10  1  o 212.2972 9.160751 1090.741       92.75993 0.000000       0.000000 1090.741       92.75993 ?        ?        212.2972 9.160751 0.000000       9.160751 
1 1 1 -10 10  2  o 246.0220 8.586541 1462.325       100.8403 0.000000       0.000000 1462.325       100.8403 ?        ?        246.0220 8.586541 0.000000       8.586541 
1 1 1 -10 10  3  o 201.8605 8.952366 986.2380       86.18188 0.000000       0.000000 986.2380       86.18188 ?        ?        201.8605 8.952366 0.000000       8.952366 
1 1 1 -10 10  4  o 185.6354 9.204879 835.2780       81.43863 0.000000       0.000000 835.2780       81.43863 ?        ?        185.6354 9.204879 0.000000       9.204879 
1 1 1 -10 10  5  o 101.1865 12.15087 253.2508       57.60662 0.000000       0.000000 253.2508       57.60662 ?        ?        101.1865 12.15087 0.000000       12.15087 
1 1 1 -10 10  6  o 353.8584 8.317275 3024.517       140.7081 0.000000       0.000000 3024.517       140.7081 ?        ?        353.8584 8.317275 0.000000       8.317275 
1 1 1 -10 10  7  o 302.7435 8.386987 2216.786       121.2748 0.000000       0.000000 2216.786       121.2748 ?        ?        302.7435 8.386987 0.000000       8.386987 
1 1 1 -10 10  8  o 28.46103 12.63071 -10.81662      34.27333 0.000000       0.000000 -10.81662      34.27333 ?        ?        28.46103 12.63071 0.000000       12.63071 
1 1 1 -10 10  9  o 213.7403 9.298549 1110.114       94.79154 0.000000       0.000000 1110.114       94.79154 ?        ?        213.7403 9.298549 0.000000       9.298549 
1 1 1 -10 10  10 f 60.85378 17.65783 95.73675       54.37388 0.000000       0.000000 95.73675       54.37388 ?        ?        60.85378 17.65783 0.000000       17.65783 
1 1 1 -10 10  11 o 166.4510 9.502740 675.4632       75.30698 568.4609       133.4857 725.4188       91.20744 148.1948 19.29852 171.8909 11.15893 -23.69606      22.29248 
1 1 1 -10 10  12 o 114.1789 11.03523 321.7058       59.48884 264.6354       107.4648 346.9211       71.43186 98.49383 23.20558 117.9636 12.87464 -19.46973      26.53781 
1 1 1 -10 10  13 o 61.19429 27.64154 -31.59911      172.1712 0.000000       0.000000 -31.59911      172.1712 ?        ?        61.19429 27.64154 0.000000       27.64154 
1 1 1 -10 10  14 o 163.4542 17.11257 687.5542       131.7475 725.5674       175.1704 638.0458       199.9092 163.4816 23.05121 147.9295 29.30297 15.55211       37.28300 
1 1 1 -10 10  15 o 190.7260 16.11968 933.4617       145.6106 792.4908       195.7979 1107.902       217.8046 167.8132 25.18094 201.0340 23.07962 -33.22073      34.15771 
1 1 1 -10 10  16 o 144.6404 20.63446 568.3400       138.6486 739.4794       193.0097 385.8654       199.2991 159.8595 26.15797 106.9630 34.36633 52.89655       43.18893 
1 1 1 -10 10  17 o 87.93511 30.96186 246.5056       161.6641 213.3662       195.0249 319.2910       289.0281 83.49794 33.01130 94.10358 39.07150 -10.60564      51.15005 
1 1 1 -10 10  18 o 156.2302 20.57801 672.7043       149.9675 647.5633       175.7855 739.9348       287.4581 147.9951 25.78073 136.4654 40.86807 11.52974       48.32024 
1 1 1 -10 10  19 o 48.18717 23.57681 -222.3875      181.4566 -369.1389      243.7714 -40.03371      271.7372 51.47474 25.57751 66.89761 31.71275 -15.42287      40.74196 
1 1 1 -10 10  20 o 82.33357 29.45457 234.3067       146.8226 52.17178       262.7072 317.0376       177.0555 68.94788 32.21056 91.84897 32.39690 -22.90108      45.68457 
1 1 1 -10 10  21 o 72.07292 25.79782 168.2430       112.6459 237.2100       144.9227 62.97699       179.0440 81.33740 29.24348 62.56092 28.22992 18.77648       40.64615 
1 1 1 -10 11  1  o 258.6690 9.065534 1622.591       111.9372 0.000000       0.000000 1622.591       111.9372 ?        ?        258.6690 9.065534 0.000000       9.065534 
1 1 1 -10 11  2  o 176.1892 10.69162 758.5870       89.63594 0.000000       0.000000 758.5870       89.63594 ?        ?        176.1892 10.69162 0.000000       10.69162 
1 1 1 -10 11  3  o 209.4812 9.626315 1067.403       96.15040 0.000000       0.000000 1067.403       96.15040 ?        ?        209.4812 9.626315 0.000000       9.626315 
1 1 1 -10 11  4  o 83.63912 16.51791 180.4097       63.70558 0.000000       0.000000 180.4097       63.70558 ?        ?        83.63912 16.51791 0.000000       16.51791 
1 1 1 -10 11  5  o 221.1570 9.543354 1190.055       100.6669 0.000000       0.000000 1190.055       100.6669 ?        ?        221.1570 9.543354 0.000000       9.543354 
1 1 1 -10 11  6  f 179.5001 11.11739 790.1913       94.93781 0.000000       0.000000 790.1913       94.93781 ?        ?        179.5001 11.11739 0.000000       11.11739 
1 1 1 -10 11  7  o 85.21541 18.66241 190.9965       73.92154 0.000000       0.000000 190.9965       73.92154 ?        ?        85.21541 18.66241 0.000000       18.66241 
1 1 1 -10 11  8  o 240.1678 10.32472 1409.456       118.2731 0.000000       0.000000 1409.456       118.2731 ?        ?        240.1678 10.32472 0.000000       10.32472 
1 1 1 -10 11  9  f 207.2337 11.11374 1054.993       109.7078 0.000000       0.000000 1054.993       109.7078 ?        ?        207.2337 11.11374 0.000000       11.11374 
1 1 1 -10 11  10 o 130.3129 13.56063 426.0858       83.24995 0.000000       0.000000 426.0858       83.24995 ?        ?        130.3129 13.56063 0.000000       13.56063 
1 1 1 -10 11  11 o 150.3007 11.31013 559.3305       80.67506 0.000000       0.000000 559.3305       80.67506 ?        ?        150.3007 11.31013 0.000000       11.31013 
1 1 1 -10 11  12 o 152.7529 39.60947 811.5974       291.6604 0.000000       0.000000 811.5974       291.6604 ?        ?        152.7529 39.60947 0.000000       39.60947 
1 1 1 -10 11  13 o 122.7306 11.68206 377.0290       67.72005 517.7722       151.9141 342.1246       75.65276 134.9477 24.44623 115.7692 13.94936 19.17846       28.14610 
1 1 1 -10 11  14 o 41.46792 19.84629 -117.8290      111.7534 -164.5537      146.8276 -53.48880      172.2964 46.03434 22.21478 57.32161 26.54217 -11.28727      34.61189 
1 1 1 -10 11  15 o 115.6795 18.72316 362.1412       100.0125 293.0056       116.5181 555.6309       194.9268 99.63840 24.60767 130.9178 31.52272 -31.27945      39.99025 
1 1 1 -10 11  16 o 68.14439 26.91771 121.9245       129.5673 58.83520       174.4158 199.6115       193.5453 65.18546 28.73078 80.13984 32.47294 -14.95438      43.35838 
1 1 1 -10 11  17 o 104.6283 27.99862 356.0373       142.8046 229.3022       197.5726 494.6791       206.6451 81.38026 32.86900 114.7009 34.71765 -33.32066      47.80885 
1 1 1 -10 11  18 o 44.29137 20.83774 -64.98818      113.2845 108.1439       139.4065 -401.5946      194.3817 64.81194 27.04048 43.03586 21.60115 21.77607       34.60921 
1 1 1 -10 12  1  o 212.4102 10.14242 1102.620       102.6996 0.000000       0.000000 1102.620       102.6996 ?        ?        212.4102 10.14242 0.000000       10.14242 
1 1 1 -10 12  2  o 157.9309 12.96924 620.0115       97.06221 0.000000       0.000000 620.0115       97.06221 ?        ?        157.9309 12.96924 0.000000       12.96924 
1 1 1 -10 12  3  o 133.9442 12.16912 445.2440       77.07787 0.000000       0.000000 445.2440       77.07787 ?        ?        133.9442 12.16912 0.000000       12.16912 
1 1 1 -10 12  4  f 46.65485 19.31325 23.71814       70.32748 0.000000       0.000000 23.71814       70.32748 ?        ?        46.65485 19.31325 0.000000       19.31325 
1 1 1 -10 12  5  o 69.89417 22.26871 130.6925       83.81413 0.000000       0.000000 130.6925       83.81413 ?        ?        69.89417 22.26871 0.000000       22.26871 
1 1 1 -10 12  6  o 168.9031 11.46887 706.1953       92.06254 0.000000       0.000000 706.1953       92.06254 ?        ?        168.9031 11.46887 0.000000       11.46887 
1 1 1 -10 12  7  o 98.50128 18.88073 259.0998       85.67885 0.000000       0.000000 259.0998       85.67885 ?        ?        98.50128 18.88073 0.000000       18.88073 
1 1 1 -10 12  8  o 298.3304 9.892356 2185.257       140.8979 0.000000       0.000000 2185.257       140.8979 ?        ?        298.3304 9.892356 0.000000       9.892356 
1 1 1 -10 12  9  o 185.5614 12.40874 862.2874       109.4512 0.000000       0.000000 862.2874       109.4512 ?        ?        185.5614 12.40874 0.000000       12.40874 
1 1 1 -10 12  10 o 68.46626 19.23348 128.4939       65.54213 0.000000       0.000000 128.4939       65.54213 ?        ?        68.46626 19.23348 0.000000       19.23348 
1 1 1 -10 12  11 o 98.17081 40.10252 369.0921       298.0244 0.000000       0.000000 369.0921       298.0244 ?        ?        98.17081 40.10252 0.000000       40.10252 
1 1 1 -10 12  12 o 147.3289 12.90788 550.7498       90.00070 0.000000       0.000000 550.7498       90.00070 ?        ?        147.3289 12.90788 0.000000       12.90788 
1 1 1 -10 12  13 o 74.45993 18.75203 154.3318       66.70606 0.000000       0.000000 154.3318       66.70606 ?        ?        74.45993 18.75203 0.000000       18.75203 
1 1 1 -10 12  14 o 117.9183 13.06718 358.1756       72.43176 599.9127       165.4670 300.8746       80.56021 140.4960 25.57619 105.8125 16.45980 34.68346       30.41491 
1 1 1 -10 12  15 o 61.15832 20.89551 106.0571       73.37696 153.7354       163.7124 94.07130       82.08356 71.52225 29.52365 58.99628 21.88196 12.52596       36.74869 
1 1 1 -10 12  16 o 40.61382 19.53116 -107.4214      111.1881 -52.55109      117.7673 -557.7473      337.3801 45.83614 21.46303 54.32355 27.41901 -8.487408      34.82045 
1 1 1 -10 13  1  o 110.2676 17.56390 321.1745       89.48956 0.000000       0.000000 321.1745       89.48956 ?        ?        110.2676 17.56390 0.000000       17.56390 
1 1 1 -10 13  2  o 99.88677 21.20907 276.0668       98.14982 0.000000       0.000000 276.0668       98.14982 ?        ?        99.88677 21.20907 0.000000       21.20907 
1 1 1 -10 13  3  o 248.1983 10.47004 1521.388       123.9592 0.000000       0.000000 1521.388       123.9592 ?        ?        248.1983 10.47004 0.000000       10.47004 
1 1 1 -10 13  4  o 51.09792 19.30362 57.21048       64.48710 0.000000       0.000000 57.21048       64.48710 ?        ?        51.09792 19.30362 0.000000       19.30362 
1 1 1 -10 13  5  o 134.6547 16.81216 475.5268       105.8799 0.000000       0.000000 475.5268       105.8799 ?        ?        134.6547 16.81216 0.000000       16.81216 
1 1 1 -10 13  6  o 152.8052 14.56404 599.1395       105.1114 0.000000       0.000000 599.1395       105.1114 ?        ?        152.8052 14.56404 0.000000       14.56404 
1 1 1 -10 13  7  o 74.14989 22.76776 157.5554       88.45147 0.000000       0.000000 157.5554       88.45147 ?        ?        74.14989 22.76776 0.000000       22.76776 
1 1 1 -10 13  8  o 96.26374 15.76343 244.7491       70.03870 0.000000       0.000000 244.7491       70.03870 ?        ?        96.26374 15.76343 0.000000       15.76343 
1 1 1 -10 13  9  f 110.7521 43.20365 588.9802       330.2189 0.000000       0.000000 588.9802       330.2189 ?        ?        110.7521 43.20365 0.000000       43.20365 
1 1 1 -10 13  10 o 35.36922 16.41177 -41.15545      66.39729 0.000000       0.000000 -41.15545      66.39729 ?        ?        35.36922 16.41177 0.000000       16.41177 
1 1 1 -10 13  11 o 72.29174 20.46028 152.0264       73.88454 0.000000       0.000000 152.0264       73.88454 ?        ?        72.29174 20.46028 0.000000       20.46028 
1 1 1 -10 13  12 o 79.64337 18.87512 181.3613       70.76471 0.000000       0.000000 181.3613       70.76471 ?        ?        79.64337 18.87512 0.000000       18.87512 
1 1 1 -10 14  1  o 105.7471 20.43459 315.0236       99.57114 0.000000       0.000000 315.0236       99.57114 ?        ?        105.7471 20.43459 0.000000       20.43459 
1 1 1 -10 14  2  o 39.12669 18.57680 -83.27198      93.95286 0.000000       0.000000 -83.27198      93.95286 ?        ?        39.12669 18.57680 0.000000       18.57680 
1 1 1 -10 14  3  o 75.58296 24.71460 173.7463       102.8095 0.000000       0.000000 173.7463       102.8095 ?        ?        75.58296 24.71460 0.000000       24.71460 
1 1 1 -10 14  4  o 57.79987 20.33440 89.94231       69.71989 0.000000       0.000000 89.94231       69.71989 ?        ?        57.79987 20.33440 0.000000       20.33440 
1 1 1 -10 14  5  f 107.5945 18.75058 322.1040       92.94834 0.000000       0.000000 322.1040       92.94834 ?        ?        107.5945 18.75058 0.000000       18.75058 
1 1 1 -10 14  6  o 51.71041 21.06871 53.25575       81.99986 0.000000       0.000000 53.25575       81.99986 ?        ?        51.71041 21.06871 0.000000       21.06871 
1 1 1 -10 14  7  o 77.43085 36.94601 160.5447       381.0971 0.000000       0.000000 160.5447       381.0971 ?        ?        77.43085 36.94601 0.000000       36.94601 
1 1 1 -9  -23 1  o 224.2510 13.68237 1252.164       145.9930 1252.164       145.9930 0.000000       0.000000 224.2510 13.68237 ?        ?        0.000000       13.68237 
1 1 1 -9  -23 2  o 58.42859 24.24434 45.64372       111.1889 45.64372       111.1889 0.000000       0.000000 58.42859 24.24434 ?        ?        0.000000       24.24434 
1 1 1 -9  -23 3  o 151.1435 10.73482 562.6876       77.06500 536.3491       108.4914 589.5125       109.4882 145.0374 15.90682 152.5123 15.21896 -7.474991      22.01463 
1 1 1 -9  -23 4  o 43.43022 16.84669 33.99854       49.98884 63.88811       88.38893 19.94236       60.61382 56.96548 22.31408 43.32793 17.93242 13.63755       28.62673 
1 1 1 -9  -23 5  o 164.6274 11.10154 670.1146       86.86541 731.3438       128.8657 619.1245       117.5984 168.9861 16.14676 155.4413 16.05516 13.54480       22.77028 
1 1 1 -9  -23 6  o 103.8645 12.72711 271.9297       61.87915 162.9389       89.38629 372.2280       85.74775 76.54756 22.75717 120.5073 15.22238 -43.95976      27.37900 
1 1 1 -9  -22 1  o 80.04736 25.18672 170.2979       107.5159 170.2979       107.5159 0.000000       0.000000 80.04736 25.18672 ?        ?        0.000000       25.18672 
1 1 1 -9  -22 2  o 113.8312 11.51059 319.5471       61.78241 434.1712       92.24858 226.3119       83.19775 131.6097 14.92414 92.95161 19.35169 38.65809       24.43805 
1 1 1 -9  -22 3  o 100.1921 14.28491 252.7968       66.49017 36.82399       113.4840 365.6888       82.04774 58.37168 24.37863 120.7437 14.50322 -62.37207      28.36655 
1 1 1 -9  -22 4  o 238.5013 9.844491 1385.427       112.0103 1538.524       145.9918 1166.341       174.6437 250.1031 12.24683 214.7608 17.15186 35.34224       21.07537 
1 1 1 -9  -22 5  o 202.3228 9.951930 998.4311       95.96784 1072.080       128.3318 904.9918       144.5489 208.2502 12.95378 189.5629 16.10194 18.68730       20.66574 
1 1 1 -9  -22 6  o 42.24451 17.22894 21.00310       54.89984 -61.81865      145.5957 34.73069       59.27526 54.41262 24.90354 46.19374 18.21909 8.218880       30.85647 
1 1 1 -9  -22 7  o 98.57797 15.86401 249.0902       72.22890 214.6433       156.7090 258.3820       81.38960 87.66788 30.51132 99.64988 17.73385 -11.98200      35.29065 
1 1 1 -9  -22 8  o 108.4044 13.65901 296.2325       69.22221 239.3255       113.9356 329.5287       87.15121 92.23961 25.14986 113.0981 16.61273 -20.85846      30.14131 
1 1 1 -9  -22 9  o 55.91089 18.68351 78.46158       58.65628 6.833743       118.5921 101.6591       67.48945 54.75912 23.92566 62.39474 19.99378 -7.635624      31.17993 
1 1 1 -9  -22 10 o 59.24694 21.78331 82.85595       81.03716 -23.06695      203.0153 102.9320       88.38380 65.29601 29.70071 63.98179 22.85709 1.314217       37.47771 
1 1 1 -9  -21 1  o 177.4318 9.342518 762.4609       78.97153 908.2693       121.9463 657.1455       103.6390 192.4539 13.33607 163.5503 13.37111 28.90353       18.88485 
1 1 1 -9  -21 2  o 64.29452 17.14446 105.8915       53.66241 124.2792       101.7366 98.80378       63.16365 71.62328 24.60037 62.67838 19.23880 8.944901       31.22995 
1 1 1 -9  -21 3  o 140.1884 10.57061 478.8567       70.32492 447.9720       98.35924 511.1563       100.5871 134.0602 15.63986 143.5786 14.86853 -9.518372      21.57958 
1 1 1 -9  -21 4  o 77.49991 14.63543 152.0039       52.23988 207.0073       82.50943 115.2028       67.49002 89.21887 19.85514 67.04716 19.73394 22.17171       27.99384 
1 1 1 -9  -21 5  o 62.22531 22.53257 86.58649       86.22723 -197.9404      179.3477 172.1285       98.33862 53.02445 25.31288 80.78198 23.83249 -27.75753      34.76679 
1 1 1 -9  -21 6  o 161.5883 11.70967 639.9979       89.84762 661.0419       132.1126 621.8893       122.5527 161.9174 17.33593 157.3687 16.53582 4.548798       23.95762 
1 1 1 -9  -21 7  o 64.39466 22.23402 100.7195       83.14205 249.4359       146.4711 30.02258       100.9887 94.81033 29.33158 55.19939 23.02129 39.61095       37.28702 
1 1 1 -9  -21 8  o 204.1564 11.61781 1022.141       112.9273 956.2322       168.9857 1075.326       151.7998 193.7678 18.46443 207.4602 15.41497 -13.69244      24.05320 
1 1 1 -9  -21 9  o 100.2805 20.27551 265.3047       93.86127 358.6951       125.1668 145.3120       141.8781 115.3840 23.48950 77.32953 28.75203 38.05444       37.12729 
1 1 1 -9  -21 10 o 70.17852 25.84089 117.2187       114.1083 126.1584       198.4024 112.7999       139.4868 79.86185 32.68330 72.19644 28.10322 7.665405       43.10440 
1 1 1 -9  -21 11 o 191.7294 14.50089 920.6297       131.9350 331.5162       217.9232 1261.499       165.7670 103.8758 35.99007 223.8183 15.58896 -119.9425      39.22118 
1 1 1 -9  -21 12 o 72.84487 21.31253 143.4984       78.92101 -240.8411      150.0444 290.4987       92.79429 43.77602 21.42290 104.7111 19.24515 -60.93507      28.79785 
1 1 1 -9  -21 13 o 94.05579 20.43476 239.7932       89.25599 396.9477       151.2773 155.8694       110.5485 116.7970 27.54237 75.43999 25.65028 41.35699       37.63667 
1 1 1 -9  -20 1  o 191.6827 8.346080 886.1418       76.30125 1049.918       105.7801 708.5034       110.1660 208.1136 10.66710 170.0405 13.66648 38.07304       17.33666 
1 1 1 -9  -20 2  o 81.11694 13.79472 164.5760       51.58396 79.64913       76.55322 235.2068       69.81322 59.87723 21.28509 96.84868 15.60813 -36.97145      26.39448 
1 1 1 -9  -20 3  o 72.18397 16.14802 132.7740       54.33077 148.0222       98.90906 126.1851       65.01813 76.44093 24.17154 70.13991 18.94617 6.301018       30.71189 
1 1 1 -9  -20 4  o 96.28422 14.11393 230.8312       63.04144 158.2795       110.5999 265.7468       76.72562 79.09419 25.61774 102.8704 16.13054 -23.77616      30.27314 
1 1 1 -9  -20 5  f 112.2521 15.11572 313.9465       79.06087 436.6104       118.9951 217.0057       105.7850 131.1265 19.58047 90.76426 24.01115 40.36228       30.98274 
1 1 1 -9  -20 6  o 129.2315 12.84806 410.4809       78.33031 490.4930       110.9064 330.8446       110.6456 140.0720 16.90273 113.1835 21.22721 26.88855       27.13479 
1 1 1 -9  -20 7  o 45.84141 18.90385 19.18326       67.02833 -49.40751      83.10648 146.8462       113.3795 41.24202 18.85272 76.92798 25.97812 -35.68596      32.09810 
1 1 1 -9  -20 8  o 55.36342 22.90157 30.75302       98.78953 -35.23383      149.5027 81.89709       131.6188 58.70593 26.19612 68.53148 27.11132 -9.825550      37.69961 
1 1 1 -9  -20 9  o 61.41487 22.38564 82.92833       85.29723 119.0541       110.2529 29.06909       134.6206 71.21030 25.51842 62.09592 26.27848 9.114388       36.62988 
1 1 1 -9  -20 10 o 40.31381 18.61323 -58.07314      83.84092 -80.96851      108.5991 -24.29424      131.9092 45.01796 20.92316 55.62713 24.72769 -10.60917      32.39193 
1 1 1 -9  -20 11 f 174.6755 15.89212 764.7151       131.2641 525.1400       210.3083 917.6061       168.0066 134.5197 32.96328 189.8037 18.75963 -55.28397      37.92759 
1 1 1 -9  -20 12 o 154.7553 16.56748 605.2477       120.6721 579.8215       169.6142 631.3083       171.7174 146.5697 25.10797 153.6763 24.16931 -7.106567      34.85062 
1 1 1 -9  -20 13 o 48.57912 20.29177 21.12201       78.64110 -249.0696      140.6656 143.9664       94.84836 41.82051 20.52291 73.85546 23.70597 -32.03495      31.35543 
1 1 1 -9  -20 14 o 213.4337 14.77482 1142.203       149.8320 1084.919       269.7693 1167.756       180.1780 194.9053 29.90405 213.6063 17.80506 -18.70099      34.80333 
1 1 1 -9  -20 15 o 115.6365 16.96554 346.1423       91.00523 247.8388       136.5657 424.6653       122.0550 92.30463 28.28071 125.9191 21.01492 -33.61442      35.23386 
1 1 1 -9  -19 1  o 111.3001 10.21033 301.0863       53.72568 274.8449       71.12771 335.9483       81.98240 105.3892 14.50071 116.5607 15.06349 -11.17143      20.90884 
1 1 1 -9  -19 2  o 120.5366 9.532274 352.0495       54.48491 380.0878       76.93351 323.8359       77.17365 124.5555 13.11610 114.5610 14.40837 9.994553       19.48418 
1 1 1 -9  -19 3  o 122.7872 10.32497 366.1078       60.04990 442.1750       89.82633 304.6443       80.74457 134.1628 14.22064 110.7270 15.69194 23.43575       21.17696 
1 1 1 -9  -19 4  o 339.1929 10.23463 2777.564       165.7793 2759.912       196.0387 2821.876       310.5966 337.4262 12.17213 337.6856 19.31933 -0.2593384     22.83412 
1 1 1 -9  -19 5  o 210.2408 9.684589 1067.777       97.08190 969.2477       156.7819 1129.049       123.6365 198.2260 16.69861 215.5941 12.04289 -17.36810      20.58822 
1 1 1 -9  -19 6  o 252.4235 9.244930 1537.807       111.3801 1387.569       178.2147 1634.102       142.6773 237.5811 15.77943 259.5378 11.52739 -21.95673      19.54152 
1 1 1 -9  -19 7  o 122.3454 12.73320 367.3957       73.39052 506.5185       107.2130 244.7234       100.6750 142.9155 15.96366 97.00358 22.19082 45.91187       27.33626 
1 1 1 -9  -19 8  o 179.0592 12.45426 782.4916       105.9516 795.4050       166.8106 773.7589       137.1756 177.7477 19.97489 176.7278 16.42336 1.019943       25.85968 
1 1 1 -9  -19 9  o 71.30637 19.40308 130.7692       67.89562 190.1560       111.1936 95.46418       85.73398 85.31305 25.38642 64.36626 22.55657 20.94679       33.95982 
1 1 1 -9  -19 10 o 124.7474 14.82956 386.1449       86.71502 311.2941       132.7571 441.8443       114.5210 108.0709 26.01014 132.2492 18.62819 -24.17828      31.99276 
1 1 1 -9  -19 11 o 243.3179 13.04821 1447.957       151.2314 1364.504       224.8701 1516.872       204.3469 232.4069 20.44655 246.9073 17.42302 -14.50047      26.86305 
1 1 1 -9  -19 12 o 94.75539 19.18923 232.2771       83.94572 456.1817       142.3415 112.8731       103.9464 131.8136 23.44659 69.45467 24.79059 62.35889       34.12207 
1 1 1 -9  -19 13 o 74.44821 29.79505 102.9114       160.7661 0.000000       0.000000 102.9114       160.7661 ?        ?        74.44821 29.79505 0.000000       29.79505 
1 1 1 -9  -19 14 o 86.64365 26.89881 204.3776       123.0593 303.8760       244.1239 170.4819       142.4868 103.0688 37.82283 81.52289 29.03276 21.54592       47.68089 
1 1 1 -9  -19 15 o 81.52884 17.44150 172.9920       65.92760 279.8337       127.1005 133.6645       77.11251 100.4605 26.19671 71.22012 21.12807 29.24039       33.65506 
1 1 1 -9  -19 16 o 65.45296 19.38331 112.2814       64.94819 -61.08499      131.0560 168.7206       74.77647 51.39299 23.56108 79.57787 19.74834 -28.18487      30.74283 
1 1 1 -9  -19 17 o 148.2902 16.55236 562.8907       115.3506 622.4814       229.2576 542.6911       133.4767 141.9745 34.18686 143.4769 20.00171 -1.502441      39.60820 
1 1 1 -9  -19 18 o 189.0655 14.09112 899.7641       126.4538 1247.450       288.1125 816.8060       140.7335 206.1113 30.12831 178.2983 16.70431 27.81294       34.44923 
1 1 1 -9  -18 1  o 138.5069 8.785244 463.1413       57.87486 551.6275       76.77261 346.6625       88.08298 150.8712 10.71337 118.2567 15.98890 32.61452       19.24633 
1 1 1 -9  -18 2  o 32.77458 14.11461 -3.045674      40.07038 -49.17041      50.48363 75.49353       65.87595 30.07701 14.07362 57.62075 19.79533 -27.54374      24.28831 
1 1 1 -9  -18 3  o 109.1914 10.76655 290.3149       55.47430 160.6662       81.74295 401.0041       75.52989 79.20947 21.17719 128.1509 12.48604 -48.94144      24.58403 
1 1 1 -9  -18 4  o 251.6255 9.233513 1525.751       110.8901 1314.560       190.8876 1633.323       136.2351 231.1402 17.40184 259.9284 10.98772 -28.78828      20.58043 
1 1 1 -9  -18 5  o 123.4961 11.12987 371.0318       65.00866 293.2558       92.22799 447.8311       91.64703 107.8973 18.54741 135.0391 14.41830 -27.14182      23.49242 
1 1 1 -9  -18 6  o 362.4824 10.71180 3172.127       185.4305 3141.465       218.9144 3249.998       348.8680 359.9914 12.73970 362.3940 20.21606 -2.402557      23.89538 
1 1 1 -9  -18 7  o 76.95325 14.31565 148.3223       50.73007 175.9996       96.45557 137.7387       59.64594 82.78843 23.35911 73.59739 17.25341 9.191040       29.04012 
1 1 1 -9  -18 8  o 203.0615 11.71262 1000.378       113.2253 1014.043       184.6051 992.1371       143.3556 201.9295 19.35892 201.2786 15.00531 0.6509705      24.49341 
1 1 1 -9  -18 9  o 197.9221 11.07532 949.8558       104.3815 1092.864       164.5820 853.6248       135.0078 210.6025 16.47704 186.3885 15.28480 24.21396       22.47483 
1 1 1 -9  -18 10 o 124.5037 14.94100 383.7607       87.16000 395.9299       139.3276 375.9362       111.7202 123.2113 24.51528 121.6496 19.89652 1.561676       31.57326 
1 1 1 -9  -18 11 o 337.0829 14.12593 2777.035       227.1426 2800.905       325.2790 2754.318       317.3248 334.5718 20.43311 332.0182 20.08490 2.553558       28.65161 
1 1 1 -9  -18 12 o 204.0470 12.88162 1017.127       125.0221 1051.120       192.0010 992.1053       164.7313 204.4760 19.89162 199.7491 17.42397 4.726944       26.44374 
1 1 1 -9  -18 13 o 188.5950 13.11700 870.8156       117.5326 1170.269       245.6707 781.9328       133.8436 212.9370 24.58283 177.6619 15.92657 35.27505       29.29114 
1 1 1 -9  -18 14 o 129.0974 13.41619 411.4056       81.59848 627.4917       158.1584 333.0232       95.25508 156.2370 21.76380 114.5286 17.98895 41.70834       28.23589 
1 1 1 -9  -18 15 o 82.57041 21.20915 179.8440       84.16119 177.0576       125.8633 182.0974       113.1872 82.38603 27.36445 82.88863 25.80761 -0.5025940     37.61444 
1 1 1 -9  -18 16 o 69.48434 24.33305 118.3507       99.75883 -14.38538      210.1094 156.9821       113.3499 69.66708 31.07339 77.68021 25.97265 -8.013138      40.49857 
1 1 1 -9  -18 17 o 50.10656 18.90957 49.87076       61.84479 90.28848       131.1665 38.31692       70.12939 68.36150 27.05818 49.57901 19.73301 18.78249       33.48935 
1 1 1 -9  -18 18 o 178.9076 13.25635 794.8160       112.5809 1030.401       218.3749 709.5361       131.3869 196.2910 23.75241 167.1906 16.65881 29.10033       29.01195 
1 1 1 -9  -18 19 o 267.3463 11.89576 1765.224       151.6652 1780.946       291.1516 1759.370       177.6753 256.3369 24.03788 265.2218 14.06256 -8.884857      27.84916 
1 1 1 -9  -18 20 o 105.3570 19.04235 295.4051       92.38683 146.0444       346.4100 306.8423       95.85882 88.60696 39.68295 107.2158 19.41566 -18.60880      44.17810 
1 1 1 -9  -17 1  o 221.1701 8.722982 1177.112       92.05494 1249.195       115.1567 1049.506       153.2168 227.4945 10.61719 207.2892 15.57432 20.20532       18.84898 
1 1 1 -9  -17 2  o 152.8658 9.807955 564.5117       71.30167 615.1940       104.4951 520.3554       97.53577 158.8001 13.90388 145.8926 14.16165 12.90750       19.84616 
1 1 1 -9  -17 3  o 117.0123 10.83867 332.7308       59.94490 414.7411       98.93801 285.1635       75.34994 129.5538 16.33613 107.3737 15.09451 22.18016       22.24215 
1 1 1 -9  -17 4  o 378.7609 9.680855 3454.555       175.1585 3652.927       377.9866 3400.308       197.6623 384.5901 20.63302 375.3660 11.02634 9.224060       23.39448 
1 1 1 -9  -17 5  o 36.85972 14.06024 23.01158       34.41378 70.26634       57.95308 -2.727949      42.77145 55.16285 18.57279 33.95990 14.60332 21.20296       23.62637 
1 1 1 -9  -17 6  o 90.76880 11.43115 201.9227       48.50834 325.9460       75.60452 115.1443       63.24143 115.1098 14.02746 67.51144 18.86689 47.59833       23.51019 
1 1 1 -9  -17 7  o 158.2547 10.87298 606.8889       81.76481 590.8696       128.1246 617.8952       106.2020 154.4424 17.67004 158.9621 14.12113 -4.519684      22.61938 
1 1 1 -9  -17 8  o 95.17213 17.11113 227.7381       74.99486 220.7492       154.4074 229.8958       85.79386 93.40763 30.27017 95.04119 19.53481 -1.633560      36.02627 
1 1 1 -9  -17 9  o 187.5866 10.37105 850.7206       92.64875 982.2091       155.2795 778.0342       115.4508 200.0001 16.38307 178.6297 13.62142 21.37041       21.30606 
1 1 1 -9  -17 10 o 141.8976 13.25854 492.1533       88.90413 706.8939       186.9331 429.3835       101.0659 166.6263 24.17050 131.6611 16.41137 34.96515       29.21551 
1 1 1 -9  -17 11 o 63.63648 19.93438 99.69566       67.42362 238.0549       112.9795 23.16348       84.02675 95.57616 24.58582 51.27551 21.15722 44.30065       32.43595 
1 1 1 -9  -17 12 o 77.83395 21.30117 155.9860       81.55648 204.9599       189.4322 144.8429       90.35972 92.57047 33.41434 75.53170 22.97740 17.03877       40.55218 
1 1 1 -9  -17 13 o 40.29609 18.41497 -48.21887      79.21669 -144.7687      131.9770 6.155772       99.04230 46.57158 22.08412 52.36950 22.36440 -5.797928      31.43048 
1 1 1 -9  -17 14 o 243.6209 12.33400 1445.494       143.1897 1605.400       225.9509 1338.177       185.1042 253.7732 18.75599 232.5603 16.76083 21.21284       25.15378 
1 1 1 -9  -17 15 o 282.2678 12.38153 1940.969       166.6810 2043.425       241.2965 1847.462       230.5179 286.8837 17.67874 272.6747 17.77979 14.20908       25.07307 
1 1 1 -9  -17 16 o 182.8895 11.91964 816.8190       103.6543 1024.693       169.3215 692.2235       131.0882 202.5036 17.66591 166.5915 16.68319 35.91209       24.29842 
1 1 1 -9  -17 17 o 79.50085 22.65009 166.9324       90.24599 21.08019       135.1398 284.3293       121.2425 61.10181 26.10955 102.6926 24.94533 -41.59083      36.11064 
1 1 1 -9  -17 18 o 93.39553 19.39610 228.2885       83.77122 521.8884       310.5002 205.2399       86.99726 127.0933 42.99017 87.93587 20.98611 39.15745       47.83902 
1 1 1 -9  -17 19 o 160.4922 15.30560 646.2057       116.0186 749.5009       337.0049 632.3174       123.5722 149.2462 44.14182 158.1001 16.59568 -8.853867      47.15842 
1 1 1 -9  -17 20 o 99.79822 23.70390 273.5966       111.4080 134.3652       209.1067 328.7832       131.6485 81.00982 33.39604 108.4713 25.76958 -27.46150      42.18254 
1 1 1 -9  -17 21 o 72.91924 21.25696 144.2667       78.63519 157.9455       224.6790 142.3573       83.94435 83.02193 34.45762 72.43165 22.16886 10.59029       40.97299 
1 1 1 -9  -16 1  o 157.7928 9.452563 600.5303       70.98223 706.7854       102.2991 501.8754       98.57266 170.6720 12.62664 143.2592 14.59579 27.41273       19.29946 
1 1 1 -9  -16 2  o 225.8503 8.290572 1226.082       89.36674 1180.290       129.9316 1267.193       123.1114 220.8405 12.35557 229.0802 11.27558 -8.239655      16.72719 
1 1 1 -9  -16 3  o 227.0673 10.69119 1243.973       115.7359 1390.955       165.5462 1103.452       161.8664 239.2253 14.54321 212.5759 16.04548 26.64946       21.65553 
1 1 1 -9  -16 4  o 89.67536 12.38594 197.6672       51.68549 188.5865       69.81177 208.6821       76.88820 86.49758 17.48371 90.91836 18.32261 -4.420776      25.32584 
1 1 1 -9  -16 5  o 251.7021 9.709278 1525.955       116.6184 1573.135       149.0669 1451.528       187.2263 255.0018 12.26322 243.8497 16.15067 11.15215       20.27882 
1 1 1 -9  -16 6  o 83.29721 13.67313 172.1342       52.56350 371.4800       117.4463 122.2030       58.77895 121.3070 21.01170 69.46520 17.66228 51.84177       27.44901 
1 1 1 -9  -16 7  o 220.5431 9.646823 1172.384       101.4692 1397.375       173.8564 1056.151       124.9600 239.3883 15.27037 208.6870 12.58315 30.70128       19.78686 
1 1 1 -9  -16 8  o 215.1448 9.716747 1116.207       99.68681 1416.517       175.2798 972.6310       121.1962 240.9485 15.29490 200.1593 12.73097 40.78925       19.90003 
1 1 1 -9  -16 9  o 143.6605 10.74721 500.2953       73.27946 613.3581       120.5354 434.0064       92.29436 157.8685 16.19979 132.8900 14.77653 24.97847       21.92667 
1 1 1 -9  -16 10 f 160.3076 10.98845 622.8149       83.70755 726.2891       137.5758 561.9902       105.4790 171.6374 16.98832 151.3893 14.76070 20.24814       22.50514 
1 1 1 -9  -16 11 o 286.9635 11.97297 1993.663       163.9010 2309.490       241.9218 1725.705       222.8349 307.1767 16.53414 264.9466 17.69346 42.23010       24.21645 
1 1 1 -9  -16 12 o 213.2878 11.13661 1100.979       113.1671 1284.795       175.6126 970.4351       147.9932 228.9595 16.14666 198.9846 15.68327 29.97491       22.50954 
1 1 1 -9  -16 13 o 224.5098 11.39168 1220.938       121.8736 1418.528       189.5394 1081.660       159.1316 240.3263 16.59838 209.9314 15.97511 30.39490       23.03716 
1 1 1 -9  -16 14 o 184.3439 12.69322 828.1932       111.1859 895.4840       199.4436 797.8500       133.9283 187.9691 22.64940 180.0024 15.72031 7.966721       27.57034 
1 1 1 -9  -16 15 o 66.54198 21.94482 107.5587       80.98701 89.72868       117.9802 123.4470       111.3712 68.13675 26.02305 72.88488 25.69540 -4.748131      36.57120 
1 1 1 -9  -16 16 o 117.7365 19.59379 353.1060       106.4159 504.0070       209.7349 300.7905       123.4924 135.1498 32.79676 106.7735 24.68532 28.37627       41.04866 
1 1 1 -9  -16 17 o 36.87648 16.67331 -30.97784      62.82273 -31.63387      252.3712 -30.93450      64.86457 76.31648 34.04622 37.58573 16.97294 38.73075       38.04242 
1 1 1 -9  -16 18 o 111.5765 15.93046 312.6867       82.56875 622.7028       191.3081 241.7169       91.53307 152.6736 27.20742 96.38520 20.49507 56.28840       34.06305 
1 1 1 -9  -16 19 o 48.70015 21.91016 -36.99332      106.9398 -223.5081      189.4665 50.20549       129.5481 53.37019 25.62151 63.40598 26.22676 -10.03579      36.66476 
1 1 1 -9  -16 20 o 68.11018 23.17280 116.3242       90.22661 494.4051       348.9962 89.24374       93.40202 122.3941 45.17006 63.19249 23.35956 59.20162       50.85276 
1 1 1 -9  -16 21 o 130.5948 24.77086 464.0390       149.0019 283.3361       378.7034 497.1364       162.0739 103.9622 44.03916 134.3715 26.17026 -30.40929      51.22822 
1 1 1 -9  -16 22 o 200.5428 15.05484 1013.242       143.2879 980.1175       279.7800 1025.019       166.8274 180.3742 33.68233 199.8365 17.64263 -19.46223      38.02317 
1 1 1 -9  -16 23 o 54.77676 24.56573 -18.09765      133.2501 -424.9439      248.9060 145.3418       157.7606 53.05411 26.27200 76.25945 29.82899 -23.20534      39.74905 
1 1 1 -9  -15 1  o 266.9201 9.260807 1713.217       117.9995 1734.950       144.1109 1669.002       205.5507 268.2324 11.26276 261.7701 16.50852 6.462280       19.98452 
1 1 1 -9  -15 2  o 321.1595 9.340655 2479.807       143.2666 2642.038       286.0122 2425.467       165.5306 328.8893 18.26144 317.2822 10.92882 11.60706       21.28190 
1 1 1 -9  -15 3  o 288.1526 12.11470 2005.040       166.5227 2052.903       236.5649 1958.030       234.4468 290.1313 17.13108 283.2371 17.39749 6.894165       24.41611 
1 1 1 -9  -15 4  o 100.7980 11.21385 247.6030       53.12618 293.0848       73.20169 196.9868       77.22304 109.1683 14.37436 88.25264 18.87386 20.91562       23.72435 
1 1 1 -9  -15 5  o 135.7514 10.12122 445.6093       65.21519 379.4976       95.92512 502.4282       88.92824 123.9427 16.60580 143.6717 13.09035 -19.72894      21.14497 
1 1 1 -9  -15 6  o 124.4576 11.88091 376.7255       69.83662 516.0162       119.8015 305.0288       85.95087 144.5490 17.70481 110.8524 16.73905 33.69657       24.36506 
1 1 1 -9  -15 7  o 215.0180 10.96460 1116.278       112.3414 1132.887       165.5943 1102.115       152.9119 215.3630 16.20175 212.6913 15.13669 2.671783       22.17241 
1 1 1 -9  -15 8  f 46.01167 15.46303 48.27368       40.17181 5.374821       81.87233 61.87653       46.10301 48.24232 20.45797 51.13731 16.53783 -2.894993      26.30643 
1 1 1 -9  -15 9  o 297.4979 10.45126 2133.549       148.4177 2460.717       200.3786 1735.904       220.9089 318.7496 13.17743 266.2673 17.44965 52.48230       21.86630 
1 1 1 -9  -15 10 o 272.4397 9.681445 1788.107       125.9006 2060.049       234.9607 1678.578       149.1146 290.1710 17.01147 263.4366 11.87006 26.73441       20.74339 
1 1 1 -9  -15 11 o 100.7675 14.67186 251.4541       68.60869 528.9574       110.5428 77.57842       87.50155 146.5523 16.03880 61.65794 22.64123 84.89434       27.74651 
1 1 1 -9  -15 12 o 313.4505 9.979374 2368.805       149.3574 2367.494       287.4199 2369.290       174.8138 309.6835 19.51208 312.9838 11.70338 -3.300262      22.75281 
1 1 1 -9  -15 13 o 108.7802 16.43069 294.8060       82.78926 242.5692       120.5394 341.4512       113.9054 96.57263 25.66965 115.8250 21.35661 -19.25237      33.39215 
1 1 1 -9  -15 14 o 293.3778 10.36298 2077.433       145.1235 2011.632       256.7646 2108.321       175.9172 285.5114 18.91731 294.9101 12.50539 -9.398773      22.67707 
1 1 1 -9  -15 15 o 133.5185 13.95468 437.5859       87.76408 428.0111       173.4346 440.8817       101.7540 127.0705 29.16682 133.4051 16.29163 -6.334549      33.40839 
1 1 1 -9  -15 16 o 375.7706 15.05079 3453.496       269.8429 3351.636       386.6580 3550.211       376.7653 365.3375 22.24269 377.0255 20.98498 -11.68808      30.57951 
1 1 1 -9  -15 17 o 225.6803 13.14143 1243.091       141.1762 1355.508       234.1125 1178.850       176.9746 231.9032 21.35557 218.1998 17.10132 13.70341       27.35901 
1 1 1 -9  -15 18 o 193.2821 16.08010 924.4005       147.2450 709.6733       319.8168 982.1601       165.8708 154.7343 42.11435 198.5890 17.65436 -43.85469      45.66502 
1 1 1 -9  -15 19 f 75.93264 21.82905 149.4619       83.45708 143.6866       194.2924 150.7685       92.41730 84.27579 33.06202 76.45766 23.23316 7.818123       40.40887 
1 1 1 -9  -15 20 o 191.0403 15.67242 907.4261       141.8854 613.0380       248.4265 1049.943       172.8508 145.1639 35.97850 204.4381 17.86411 -59.27426      40.16938 
1 1 1 -9  -15 21 o 125.0252 17.65756 398.9487       102.6099 623.7779       233.2450 344.9953       114.2604 146.1729 34.01706 114.3209 21.69901 31.85194       40.34858 
1 1 1 -9  -15 22 o 57.42229 22.59333 59.40882       90.96132 525.1662       393.4301 33.10637       93.49445 123.1170 47.39436 53.78522 22.26689 69.33174       52.36449 
1 1 1 -9  -15 23 o 58.82454 23.04426 66.67962       94.27503 -360.6654      396.8982 92.23223       97.05265 73.56792 35.74333 63.60794 23.75463 9.959976       42.91699 
1 1 1 -9  -15 24 o 72.71469 28.40805 125.6533       142.9460 775.5848       403.7261 32.49745       152.8474 135.6845 48.80618 63.05543 27.36098 72.62911       55.95236 
1 1 1 -9  -14 1  o 112.7897 10.03261 307.8989       53.53534 248.0462       73.69806 374.7663       77.89713 100.0853 15.93585 124.0007 13.34988 -23.91542      20.78872 
1 1 1 -9  -14 2  o 313.6719 9.239277 2363.657       138.4039 2460.024       272.8235 2330.262       160.6045 317.8298 18.02866 311.1615 10.81245 6.668243       21.02241 
1 1 1 -9  -14 3  o 52.76971 13.32929 69.75272       33.63247 74.13754       51.32395 66.45277       44.52445 55.50970 17.39282 52.41168 16.16443 3.098015       23.74445 
1 1 1 -9  -14 4  o 86.08046 11.92904 181.7627       47.77507 214.5429       64.01376 140.5468       71.77944 93.08096 14.88615 74.59975 19.79928 18.48120       24.77114 
1 1 1 -9  -14 5  o 110.5213 9.967494 295.9123       52.10182 400.6998       78.43825 213.1725       69.69963 128.2488 12.97093 92.44586 16.36909 35.80290       20.88522 
1 1 1 -9  -14 6  o 83.17986 14.09285 171.7097       54.04465 266.1808       80.48386 94.13107       72.93403 103.4302 16.85616 63.23100 20.82393 40.19923       26.79116 
1 1 1 -9  -14 7  o 186.6844 10.65711 841.2285       94.72134 956.4682       150.1692 765.0836       122.0676 197.9553 16.00371 177.2520 14.53206 20.70326       21.61712 
1 1 1 -9  -14 8  o 282.7047 9.425570 1922.621       127.2159 2057.268       240.4907 1870.303       149.9071 290.2805 17.40893 278.4459 11.28427 11.83466       20.74622 
1 1 1 -9  -14 9  o 138.2161 11.26307 463.1655       73.78126 401.0738       117.0150 504.1418       95.05854 126.5706 20.00124 143.7100 14.01334 -17.13940      24.42178 
1 1 1 -9  -14 10 f 226.9922 11.21672 1244.506       121.3495 1357.903       185.5060 1159.685       160.4385 235.7370 16.56515 218.0735 15.48935 17.66356       22.67872 
1 1 1 -9  -14 11 o 294.9619 12.63639 2105.301       177.7828 2197.639       258.1667 2022.019       245.1813 299.4804 18.11587 287.2911 17.94030 12.18933       25.49587 
1 1 1 -9  -14 12 o 103.8917 13.47641 265.4641       65.36086 320.1826       111.4332 236.7654       80.70092 112.1970 21.55740 96.95739 18.07439 15.23963       28.13192 
1 1 1 -9  -14 13 o 62.85605 18.96978 97.94849       61.75866 -87.21300      158.5798 131.0529       67.05258 57.25829 26.12383 71.81882 19.17061 -14.56053      32.40319 
1 1 1 -9  -14 14 o 207.9088 11.43408 1046.736       113.2158 1070.220       166.8627 1026.703       154.1184 208.6833 16.86854 204.6915 15.87271 3.991852       23.16226 
1 1 1 -9  -14 15 o 272.1138 12.65158 1795.901       164.1396 1642.887       237.8872 1934.945       226.7686 257.7043 19.45177 280.8855 16.96582 -23.18118      25.81106 
1 1 1 -9  -14 16 o 198.8801 11.57794 958.8599       109.6098 1262.860       166.4309 726.0029       145.6605 227.1836 15.41446 171.1552 18.07358 56.02837       23.75415 
1 1 1 -9  -14 17 o 139.4735 14.27170 478.0081       93.82434 379.6881       132.1596 577.9153       133.2221 121.2426 23.64963 152.1201 18.71194 -30.87756      30.15695 
1 1 1 -9  -14 18 o 240.6187 12.35163 1408.721       141.6140 1561.476       219.1911 1299.275       185.5351 250.7406 18.41320 229.2360 17.05126 21.50461       25.09564 
1 1 1 -9  -14 19 o 84.75454 26.42962 186.0520       118.6592 441.2438       200.5953 48.69289       147.1690 126.3204 32.89574 67.22510 27.89327 59.09533       43.12963 
1 1 1 -9  -14 20 o 174.8682 14.78551 754.3785       122.4532 676.1859       238.6042 782.3365       142.6753 156.4317 32.94645 177.2128 17.05031 -20.78110      37.09692 
1 1 1 -9  -14 21 o 266.7311 13.36384 1744.334       169.8743 2317.140       299.4676 1472.570       206.2727 302.2914 20.84894 242.5964 17.91110 59.69498       27.48610 
1 1 1 -9  -14 22 o 88.79075 26.12437 214.1946       118.2957 427.2730       240.0031 145.8168       135.9580 119.0817 37.65225 77.50086 28.26011 41.58080       47.07787 
1 1 1 -9  -14 23 o 105.5196 20.39040 293.5398       99.14203 370.9109       660.6986 291.7575       100.2774 117.0053 53.36004 105.0496 20.70292 11.95571       57.23552 
1 1 1 -9  -14 24 o 54.55134 21.52586 52.85257       82.78111 -49.45344      688.6339 54.35263       83.38579 101.3130 48.69170 54.92615 21.62570 46.38686       53.27806 
1 1 1 -9  -14 25 o 62.58565 26.32052 53.67822       133.6932 98.51898       414.2203 48.46381       141.2528 90.31344 41.58101 63.10508 26.82052 27.20835       49.48051 
1 1 1 -9  -13 1  o 357.9628 9.140847 3074.906       156.3066 2885.922       327.1639 3130.802       177.9266 344.2705 19.96292 361.0135 10.31941 -16.74301      22.47239 
1 1 1 -9  -13 2  o 77.60961 10.77647 147.3807       38.90792 185.6727       57.50138 115.0433       52.84171 86.64879 14.38477 67.67350 16.48666 18.97529       21.87993 
1 1 1 -9  -13 3  o 395.2852 14.83173 3774.552       279.7948 3912.118       396.5380 3638.156       394.8467 400.4368 20.78411 385.8543 21.48897 14.58249       29.89574 
1 1 1 -9  -13 4  o 290.0947 11.94497 2027.654       165.3115 2228.317       235.2543 1831.924       232.3445 303.1297 16.29294 274.3714 17.80894 28.75827       24.13748 
1 1 1 -9  -13 5  o 202.8792 9.207640 989.7990       89.07598 1095.603       146.6114 927.8904       112.1483 212.5646 14.51382 195.9990 12.02614 16.56560       18.84885 
1 1 1 -9  -13 6  o 252.6705 11.36619 1538.898       136.9507 1612.386       198.3208 1471.911       189.3460 257.5632 16.18743 246.0439 16.18654 11.51938       22.89185 
1 1 1 -9  -13 7  o 251.9911 9.324717 1526.897       112.1449 1604.455       202.1220 1492.402       134.7962 256.7256 16.55609 248.7689 11.36375 7.956726       20.08081 
1 1 1 -9  -13 8  o 111.7962 10.83116 303.4588       57.16653 436.6575       96.40755 231.2275       70.99434 133.4365 15.39407 96.45440 15.95265 36.98212       22.16900 
1 1 1 -9  -13 9  o 113.4661 12.51475 314.1729       66.76217 422.8592       150.8291 287.6897       74.45302 128.5928 25.43482 108.0643 14.79930 20.52853       29.42701 
1 1 1 -9  -13 10 o 376.5976 8.517111 3404.776       153.3480 3736.528       236.6871 3164.772       201.3152 393.3268 12.60299 362.2305 11.63985 31.09634       17.15580 
1 1 1 -9  -13 11 o 191.9995 10.83876 890.2855       99.08797 1024.711       155.9149 799.2048       128.3391 204.8416 16.04870 181.0235 14.96265 23.81819       21.94178 
1 1 1 -9  -13 12 o 196.2993 11.44659 931.9310       106.9584 1162.974       184.2776 814.5521       131.3473 217.6652 17.86532 182.6485 15.17873 35.01672       23.44277 
1 1 1 -9  -13 13 o 205.6407 10.76862 1021.415       105.5022 1161.160       162.9468 920.5487       138.4369 218.0644 15.73560 194.2269 15.02525 23.83746       21.75700 
1 1 1 -9  -13 14 o 261.8161 10.28543 1653.471       128.4936 1518.891       215.4167 1727.800       160.0923 248.5051 18.25906 267.0570 12.57417 -18.55193      22.16987 
1 1 1 -9  -13 15 o 44.61061 18.92446 4.443964       70.09937 -173.2325      91.84155 252.4136       108.4984 34.22734 16.75223 98.86421 23.33304 -64.63687      28.72400 
1 1 1 -9  -13 16 o 40.31001 17.29595 -1.799003      59.75105 -340.3756      156.5841 55.90382       64.64245 42.37492 20.95738 52.88530 19.45354 -10.51039      28.59462 
1 1 1 -9  -13 17 o 62.01881 18.83661 95.31946       60.75933 192.9190       105.3117 46.62160       74.38877 86.53484 24.40506 53.07853 20.56146 33.45631       31.91208 
1 1 1 -9  -13 18 o 252.7896 11.12158 1546.543       134.0818 1532.209       221.4531 1554.839       168.4714 248.8296 18.75338 252.5648 14.00714 -3.735245      23.40703 
1 1 1 -9  -13 19 o 226.9665 12.29893 1253.172       132.9572 1296.874       230.1558 1231.284       162.8856 226.9727 21.46497 223.9079 15.30824 3.064774       26.36451 
1 1 1 -9  -13 20 f 200.5656 14.96899 989.7180       142.4996 361.9178       257.6249 1266.465       171.0482 114.6826 39.15388 226.6175 15.88829 -111.9350      42.25475 
1 1 1 -9  -13 21 o 224.8749 13.26452 1237.491       141.9735 1690.542       275.5095 1073.687       165.6630 257.5953 22.60000 207.9414 16.80698 49.65392       28.16442 
1 1 1 -9  -13 22 o 66.05753 22.10665 106.7102       82.11476 106.0230       371.7323 106.7454       84.19462 97.39945 42.46147 66.26807 22.38630 31.13138       48.00128 
1 1 1 -9  -13 23 o 110.0239 27.17658 333.4740       142.1001 401.0160       658.5138 330.1753       145.5288 122.5007 54.79867 109.1933 27.80637 13.30738       61.44989 
1 1 1 -9  -13 24 o 210.8417 16.51907 1120.214       165.1853 1667.704       690.4940 1086.979       170.1251 188.1460 64.10326 207.1390 17.33793 -18.99300      66.40656 
1 1 1 -9  -13 25 o 122.0621 18.68857 387.4793       105.5940 -58.87769      272.5582 466.3056       114.5391 73.35299 33.75672 134.3005 18.31566 -60.94755      38.40546 
1 1 1 -9  -13 26 o 43.90640 21.08462 -149.5060      128.5293 -298.3159      270.0705 -105.9332      146.1401 60.47821 29.40672 50.43087 23.70780 10.04734       37.77321 
1 1 1 -9  -12 1  o 126.7365 9.564529 387.2463       57.52499 317.6421       82.50467 453.0941       80.24751 113.8046 15.57183 136.7870 12.40573 -22.98232      19.90940 
1 1 1 -9  -12 2  o 501.5590 18.08786 6086.844       433.0179 5656.443       612.6824 6516.396       612.0775 480.0164 26.80398 516.2374 24.87301 -36.22095      36.56665 
1 1 1 -9  -12 3  o 178.2869 9.162078 764.0732       77.83280 841.6068       107.1763 677.5544       113.2163 186.7731 12.06720 167.1581 14.30420 19.61507       18.71437 
1 1 1 -9  -12 4  o 366.3826 9.484493 3221.715       165.9939 3261.185       190.2235 3095.709       339.8794 368.4019 10.81195 356.6826 20.01150 11.71933       22.74551 
1 1 1 -9  -12 5  o 508.6078 7.728978 6198.237       187.9375 6208.763       269.9238 6188.332       261.8285 508.4027 11.10516 507.6347 10.78841 0.7680054      15.48271 
1 1 1 -9  -12 6  o 347.8739 13.31008 2918.491       220.9577 3186.249       315.6666 2661.275       309.3906 362.1142 18.29295 330.4314 19.67379 31.68277       26.86429 
1 1 1 -9  -12 7  o 234.7999 10.38402 1326.831       116.2776 1383.443       160.9014 1264.947       168.2258 239.0881 14.13960 228.2937 15.50512 10.79443       20.98421 
1 1 1 -9  -12 8  o 158.2957 10.80057 605.1268       81.24841 844.1249       146.6507 499.2773       97.59582 185.9507 16.67275 143.0903 14.46475 42.86040       22.07282 
1 1 1 -9  -12 9  o 266.2620 9.245367 1704.296       117.5120 1618.622       185.1284 1762.110       152.0779 258.2691 15.05844 270.2730 11.79784 -12.00391      19.12970 
1 1 1 -9  -12 10 o 369.9902 14.58342 3315.924       257.4580 3234.025       367.6190 3394.761       360.6813 362.7022 21.29385 372.0738 20.35370 -9.371613      29.45677 
1 1 1 -9  -12 11 o 43.96015 16.61282 34.21847       47.77141 12.36658       90.01931 42.78490       56.36262 51.50983 21.62613 48.23706 18.08452 3.272770       28.19113 
1 1 1 -9  -12 12 o 123.7601 13.56832 374.4380       78.96684 185.7957       151.4143 444.9167       92.55003 88.30986 30.01930 134.8150 14.59149 -46.50514      33.37769 
1 1 1 -9  -12 13 o 153.5634 11.14393 571.0065       81.25857 606.3552       121.7243 542.5903       109.1373 157.1267 16.44726 148.7579 15.57629 8.368774       22.65244 
1 1 1 -9  -12 14 o 269.5792 12.21772 1757.787       157.0560 1780.693       226.0656 1736.417       218.3565 269.6417 17.63309 266.3965 17.23721 3.245209       24.65862 
1 1 1 -9  -12 15 o 256.9182 12.07333 1597.425       147.8815 1618.472       214.2748 1578.282       204.3501 256.8763 17.55320 253.8766 16.93299 2.999695       24.38936 
1 1 1 -9  -12 16 o 118.2764 14.61985 344.6596       80.91212 474.1714       164.4491 303.2928       92.94003 135.3264 26.36609 109.8951 18.33513 25.43138       32.11460 
1 1 1 -9  -12 17 o 183.1777 10.80443 812.2109       94.19972 818.0557       155.8604 808.8472       118.2385 181.8025 18.17534 182.1166 13.68003 -0.3141022     22.74832 
1 1 1 -9  -12 18 o 294.4058 10.39439 2092.448       146.0737 2104.282       235.7268 2085.071       186.1144 292.8945 16.90591 292.9651 13.32275 -0.7055664E-01 21.52453 
1 1 1 -9  -12 19 o 31.89939 15.02188 -62.93002      59.12112 107.8331       113.9179 -125.8778      69.16479 70.86119 25.86376 30.08028 14.68272 40.78091       29.74082 
1 1 1 -9  -12 20 o 215.3891 12.34116 1128.755       126.5512 1092.133       198.4148 1153.869       164.3112 208.8642 20.11882 216.5113 15.98645 -7.647156      25.69695 
1 1 1 -9  -12 21 o 51.62954 19.92500 46.13181       69.66108 -4.000062      133.4860 64.89445       81.66304 58.79734 25.54092 57.71765 21.74071 1.079689       33.54098 
1 1 1 -9  -12 22 o 125.1440 18.51996 396.6559       107.4638 -31.60220      633.6995 409.3364       109.0431 110.7497 51.14768 127.1813 18.47346 -16.43159      54.38155 
1 1 1 -9  -12 23 o 91.98766 22.45641 223.2446       97.88381 816.3192       656.4011 209.7562       98.99065 149.4681 60.07217 89.03892 23.06961 60.42915       64.34961 
1 1 1 -9  -12 24 o 98.97243 29.21635 272.9620       147.7512 74.52696       567.1907 287.4078       153.0347 105.5588 48.62062 101.2999 29.68905 4.258919       56.96845 
1 1 1 -9  -12 25 o 61.02251 22.64767 82.60149       87.95403 -224.8975      262.9546 121.3381       93.32967 64.27246 30.67358 69.14500 23.56713 -4.872536      38.68176 
1 1 1 -9  -12 26 o 190.3427 15.19857 911.3724       137.1599 1210.863       296.3416 829.7228       154.7312 204.7443 31.26385 179.6051 18.27405 25.13924       36.21283 
1 1 1 -9  -12 27 o 150.6868 21.84173 613.7300       152.7694 355.7916       298.0055 705.6805       177.9276 102.5724 40.72546 159.8964 24.01686 -57.32399      47.27973 
1 1 1 -9  -11 1  o 436.4206 15.99287 4590.250       333.1232 4679.670       471.4995 4501.126       470.7161 438.9083 22.54534 430.3034 22.96421 8.604858       32.18148 
1 1 1 -9  -11 2  o 300.6731 9.420749 2168.512       135.2546 2111.323       159.0048 2318.213       257.2547 296.4610 11.23884 309.6249 17.44939 -13.16385      20.75555 
1 1 1 -9  -11 3  o 307.5838 12.52233 2275.651       183.7587 2308.626       260.6676 2243.074       259.0876 308.8546 17.72772 304.3911 17.88231 4.463501       25.18033 
1 1 1 -9  -11 4  o 92.04379 10.25311 205.6760       44.35384 226.5213       65.77610 188.2940       60.06397 95.91867 14.82076 87.24857 14.93627 8.670105       21.04156 
1 1 1 -9  -11 5  o 262.1088 10.05786 1650.250       125.8024 1580.747       157.2351 1773.890       209.7133 256.1203 12.88231 270.7300 16.27765 -14.60968      20.75851 
1 1 1 -9  -11 6  o 383.4547 7.903398 3522.792       144.8893 3588.047       217.2319 3470.499       194.4625 386.2822 11.77655 380.0906 10.71208 6.191589       15.91966 
1 1 1 -9  -11 7  o 361.5472 9.969737 3139.150       172.1640 3313.810       206.3655 2739.268       312.2530 371.1686 11.64381 335.4826 19.55306 35.68600       22.75742 
1 1 1 -9  -11 8  o 73.92207 16.45974 137.2202       56.67643 148.9604       134.0988 134.6669       62.53643 81.31449 28.22892 73.13158 18.00780 8.182907       33.48362 
1 1 1 -9  -11 9  o 164.1243 11.27274 650.6393       87.91543 893.1371       152.2414 529.3126       107.6855 191.3554 16.81189 147.2065 15.53510 44.14894       22.89058 
1 1 1 -9  -11 10 o 87.20636 16.74541 190.3066       67.27819 217.7047       94.83131 162.5421       95.46329 92.54760 21.79512 80.50320 23.40796 12.04440       31.98374 
1 1 1 -9  -11 11 o 136.5408 11.42767 451.8578       73.91460 480.9924       116.8187 432.4066       95.45089 139.5686 17.92019 132.8155 15.31217 6.753098       23.57108 
1 1 1 -9  -11 12 o 253.2220 9.927557 1543.771       119.9526 1505.487       149.9065 1611.918       200.0025 249.5127 12.60750 257.2173 16.34859 -7.704620      20.64522 
1 1 1 -9  -11 13 o 124.7355 13.00130 379.6078       76.39605 503.2720       142.1254 329.3581       90.59745 141.6434 21.67618 115.2354 16.95056 26.40802       27.51687 
1 1 1 -9  -11 14 o 138.1700 11.52295 463.2258       75.42540 451.4076       114.2890 472.3448       100.3923 134.9055 18.18262 138.7409 15.39396 -3.835342      23.82397 
1 1 1 -9  -11 15 o 136.8182 13.19344 456.6396       85.23084 605.5638       159.5504 397.1724       100.8217 155.2825 22.11592 126.6126 17.09207 28.66989       27.95090 
1 1 1 -9  -11 16 o 475.2394 17.48221 5520.784       396.5302 5648.336       564.2945 5396.363       557.3270 475.3507 24.91739 464.3723 25.19797 10.97836       35.43746 
1 1 1 -9  -11 17 o 161.7662 12.81078 637.0480       98.26830 711.7824       141.8421 568.0699       136.2701 169.7059 17.74430 150.9336 19.32748 18.77231       26.23760 
1 1 1 -9  -11 18 o 101.9264 17.33265 260.8141       81.44085 39.79825       190.4590 310.2679       90.09277 74.31223 31.34284 111.3341 17.50293 -37.02185      35.89884 
1 1 1 -9  -11 19 o 131.8373 13.43082 425.7586       83.47342 769.5989       140.8924 239.7895       103.6167 176.6324 16.88981 96.29037 22.85296 80.34198       28.41696 
1 1 1 -9  -11 20 o 187.8486 13.21823 860.1438       117.9527 896.5149       176.0660 830.5281       158.8760 189.6188 19.70883 182.9197 18.41773 6.699142       26.97500 
1 1 1 -9  -11 21 o 156.8142 14.99633 605.7371       111.0611 898.5276       240.2721 526.1831       125.2437 185.3644 27.98318 144.9258 18.49697 40.43860       33.54394 
1 1 1 -9  -11 22 o 85.48999 27.19306 188.8623       125.0227 333.1316       241.6912 136.1550       146.0862 110.6480 37.91979 78.49896 29.17751 32.14899       47.84598 
1 1 1 -9  -11 23 o 82.05629 22.34736 176.2893       90.01916 -183.6105      245.0110 232.4534       96.78859 65.71465 30.83093 94.20454 21.90609 -28.48989      37.82093 
1 1 1 -9  -11 24 o 90.13123 21.89520 214.0327       93.40194 344.2126       255.5131 193.9546       100.3466 110.5109 38.92366 85.54430 23.71349 24.96664       45.57830 
1 1 1 -9  -11 25 o 82.69348 28.35041 179.3920       135.1009 218.4534       265.4821 165.7413       156.9421 95.36967 38.24718 81.95703 30.28289 13.41264       48.78422 
1 1 1 -9  -11 26 o 124.4370 19.14188 402.6943       110.2350 450.5872       282.4593 394.0891       119.7294 117.6169 40.96127 121.9461 21.31179 -4.329178      46.17377 
1 1 1 -9  -11 27 o 63.65488 22.89891 98.14671       88.87463 -269.9429      177.4528 221.3910       102.6808 47.92881 23.42153 89.44980 23.65287 -41.52099      33.28703 
1 1 1 -9  -11 28 o 90.14092 27.15562 238.3721       126.6405 422.6413       183.3539 70.27579       175.1229 116.2298 31.99077 69.22356 29.65435 47.00626       43.62098 
1 1 1 -9  -10 1  o 326.2677 7.498919 2548.157       116.9718 2328.814       166.7032 2760.889       164.1720 311.4441 11.21411 339.2707 10.13285 -27.82660      15.11393 
1 1 1 -9  -10 2  o 338.3539 13.34029 2753.104       215.3737 2694.247       305.0150 2811.629       304.1558 333.6430 19.20301 340.9571 18.73094 -7.314148      26.82543 
1 1 1 -9  -10 3  o 401.5087 9.813203 3863.217       188.3710 3795.332       210.8389 4131.775       419.3561 397.6740 11.10044 412.7956 21.32130 -15.12155      24.03784 
1 1 1 -9  -10 4  f 150.5281 9.960427 545.4484       71.27784 391.3932       102.6041 689.1371       99.09184 126.2750 17.46259 168.9983 12.34968 -42.72334      21.38824 
1 1 1 -9  -10 5  o 610.2163 21.49039 9029.546       625.9764 8692.593       886.2595 9364.989       884.2724 593.9844 31.31951 617.3069 30.05270 -23.32251      43.40595 
1 1 1 -9  -10 6  o 537.3233 10.90382 6927.040       280.1061 6844.420       304.5111 7381.377       714.0865 533.9163 11.92948 548.7485 27.30458 -14.83221      29.79685 
1 1 1 -9  -10 7  o 418.3484 10.48940 4201.869       209.6304 4226.329       239.5595 4121.915       433.1176 419.2921 11.96279 411.2897 22.10796 8.002472       25.13703 
1 1 1 -9  -10 8  o 487.6031 9.850183 5703.822       229.6250 4952.111       555.1256 5858.991       252.2137 448.8932 25.97760 494.0365 10.67828 -45.14334      28.08668 
1 1 1 -9  -10 9  o 115.2048 13.05176 323.4357       70.62166 508.1600       144.2411 265.1924       80.99348 142.9054 21.80133 103.4284 16.96738 39.47698       27.62589 
1 1 1 -9  -10 10 o 290.8763 10.90393 2035.908       151.3667 2073.479       196.3278 1980.842       237.6811 292.9184 14.06037 285.4330 17.50149 7.485352       22.44986 
1 1 1 -9  -10 11 o 131.3743 13.54954 420.5256       83.88332 532.6066       130.7901 342.2062       109.3311 146.8146 19.08487 116.9033 20.29770 29.91127       27.86088 
1 1 1 -9  -10 12 f 240.7898 10.10667 1395.882       116.0882 1361.372       189.7757 1416.517       146.7464 236.2832 16.91145 242.0669 12.72482 -5.783707      21.16407 
1 1 1 -9  -10 13 o 203.6675 11.01018 1001.280       106.8088 1121.165       155.5384 894.2975       146.9299 214.6267 15.25761 191.3347 16.21486 23.29201       22.26469 
1 1 1 -9  -10 14 o 237.1030 11.66466 1357.990       131.8203 1337.747       190.5315 1376.576       182.5675 233.9164 17.15652 237.5963 16.16854 -3.679871      23.57473 
1 1 1 -9  -10 15 o 335.6089 13.71896 2728.411       219.6578 2749.202       315.0348 2708.740       306.4301 334.5267 19.78625 332.2310 19.37635 2.295715       27.69366 
1 1 1 -9  -10 16 o 210.9408 11.23129 1075.538       112.8575 938.1760       172.7383 1177.840       149.0731 195.0018 18.75977 220.0511 14.24649 -25.04930      23.55613 
1 1 1 -9  -10 17 o 132.5038 14.98270 431.4570       93.25011 328.5534       130.7551 537.9649       133.0253 112.7657 24.91803 146.9162 19.41363 -34.15042      31.58793 
1 1 1 -9  -10 18 o 111.0338 15.11485 305.0193       78.15447 76.65212       129.9601 434.3977       97.81921 68.70416 27.01384 132.6870 15.72548 -63.98282      31.25761 
1 1 1 -9  -10 19 o 230.9380 12.41045 1294.390       136.5190 1379.251       233.2024 1250.145       168.3887 235.2175 20.95665 225.9296 15.68689 9.287949       26.17747 
1 1 1 -9  -10 20 o 369.6460 12.54786 3312.813       221.4288 3451.893       285.1838 3101.688       351.3693 375.7410 15.91153 353.2838 20.89662 22.45724       26.26491 
1 1 1 -9  -10 21 f 47.17152 19.31714 21.69180       69.36283 35.76456       131.6336 16.28226       81.61262 63.36921 26.34406 49.56511 20.68521 13.80410       33.49459 
1 1 1 -9  -10 22 o 104.6415 18.00434 277.1727       86.82407 210.3039       161.5710 304.3225       102.9521 91.19373 31.00964 108.9574 20.51635 -17.76367      37.18223 
1 1 1 -9  -10 23 o 47.71142 21.76732 -59.65504      110.0863 -391.5142      162.3072 223.0792       149.8132 41.30806 20.58206 92.20027 29.81137 -50.89221      36.22622 
1 1 1 -9  -10 24 o 97.10357 21.43941 246.4576       96.86568 314.4093       255.0287 235.0018       104.7130 107.6635 38.78244 94.25164 23.35755 13.41185       45.27309 
1 1 1 -9  -10 25 o 142.4689 22.11954 527.5944       145.7785 835.8907       275.6367 407.8720       171.7673 171.1090 34.87872 121.1748 29.84846 49.93420       45.90703 
1 1 1 -9  -10 26 o 152.6325 18.29418 595.4637       130.8395 566.4712       191.4034 620.8949       179.2626 142.1812 29.13783 151.4442 25.67493 -9.263016      38.83575 
1 1 1 -9  -10 27 o 113.4683 18.94432 336.3299       99.14812 567.9014       180.4881 236.2478       118.6545 142.3386 27.51827 91.91924 25.89854 50.41940       37.78875 
1 1 1 -9  -10 28 o 78.72166 23.81394 171.2914       97.24638 318.4476       182.2850 112.7480       114.9744 101.7829 32.88165 68.57945 25.80422 33.20341       41.79785 
1 1 1 -9  -10 29 o 124.9680 19.40005 418.1723       112.1505 576.5029       203.6618 349.2652       134.3566 135.6714 31.93310 109.3892 26.06320 26.28219       41.21909 
1 1 1 -9  -9  1  o 244.7231 8.029835 1435.298       93.82133 864.0016       159.9866 1734.751       115.8291 188.5783 17.96200 268.9848 9.019782 -80.40654      20.09950 
1 1 1 -9  -9  2  o 492.3444 17.69380 5844.633       415.8069 5693.370       588.4023 5995.525       587.6778 483.6815 25.53571 496.6209 24.83052 -12.93933      35.61779 
1 1 1 -9  -9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -9  5  o 402.1627 7.946735 3872.506       152.7914 3633.509       226.3486 4072.569       207.0925 388.9372 12.18783 412.0338 10.52152 -23.09665      16.10110 
1 1 1 -9  -9  6  o 252.5962 9.527606 1531.159       114.8523 1256.845       194.8695 1677.165       142.1694 227.5912 18.05727 264.1823 11.28224 -36.59111      21.29210 
1 1 1 -9  -9  7  o 355.4690 9.605622 3030.949       163.0938 2650.042       327.2050 3156.868       188.1299 330.2142 20.83219 362.6105 10.86423 -32.39627      23.49493 
1 1 1 -9  -9  8  o 279.2058 12.34198 1876.346       164.3399 1787.623       235.9922 1959.881       228.9894 271.3900 18.29535 284.5240 16.91031 -13.13400      24.91342 
1 1 1 -9  -9  9  o 437.4172 9.945064 4590.027       207.9753 4297.788       470.4621 4661.008       231.8611 419.2201 23.56821 440.6104 11.00689 -21.39035      26.01177 
1 1 1 -9  -9  10 o 183.9387 10.65637 815.0878       93.30980 880.1381       135.5905 756.5663       128.6063 190.4607 15.01199 176.4256 15.40153 14.03514       21.50737 
1 1 1 -9  -9  11 o 156.7946 11.19979 593.8421       83.40273 606.1028       118.4210 581.7748       117.4831 157.5895 15.93664 154.3167 16.16359 3.272736       22.69886 
1 1 1 -9  -9  12 o 367.2134 9.889207 3240.938       173.4574 2967.739       347.7751 3331.405       200.1266 348.0730 20.99635 372.0090 11.26533 -23.93600      23.82760 
1 1 1 -9  -9  13 o 415.7471 8.390144 4147.245       166.7658 4380.767       246.6625 3950.632       226.3318 426.2619 12.11599 404.8936 11.70449 21.36829       16.84614 
1 1 1 -9  -9  14 o 320.9793 10.52186 2481.175       161.2467 2996.135       304.7489 2280.951       190.0259 350.2244 18.26378 307.1461 12.96994 43.07834       22.40056 
1 1 1 -9  -9  15 o 269.2346 10.02582 1745.726       128.8249 1816.916       202.7083 1697.493       166.8532 273.2607 15.58080 264.7565 13.22380 8.504211       20.43600 
1 1 1 -9  -9  16 o 162.2463 12.69907 639.4589       97.71997 720.4307       141.8193 566.2622       134.8386 171.0829 17.58915 151.0591 19.09664 20.02379       25.96266 
1 1 1 -9  -9  17 o 184.4986 12.45949 825.8997       109.2565 1367.718       198.6967 591.0820       130.8064 236.0660 17.73519 154.5723 18.03938 81.49367       25.29735 
1 1 1 -9  -9  18 o 171.6851 13.69526 718.4941       111.4804 629.7947       208.1321 754.1791       132.0143 155.5208 29.06083 175.3405 15.92160 -19.81972      33.13652 
1 1 1 -9  -9  19 o 330.4276 11.04022 2637.791       174.1615 2970.944       324.2515 2502.706       206.4731 346.8185 19.63583 321.0116 13.48349 25.80682       23.81954 
1 1 1 -9  -9  20 o 43.72245 18.47375 6.321197       66.35748 -230.1915      124.4791 100.2144       78.43078 39.85349 19.50528 64.89543 21.60267 -25.04194      29.10552 
1 1 1 -9  -9  21 o 78.09017 27.17472 143.4030       124.3070 -36.00597      244.7697 205.7573       144.3007 76.20405 33.78986 90.12933 29.26699 -13.92528      44.70248 
1 1 1 -9  -9  22 o 301.2689 13.33364 2209.082       191.5730 2581.825       293.2639 1931.621       253.0195 322.7870 19.08875 279.0585 19.07968 43.72852       26.98916 
1 1 1 -9  -9  23 o 98.16896 28.11073 257.2470       138.6617 367.8285       270.6240 217.8812       161.4673 115.5890 40.10333 92.06828 31.00140 23.52076       50.68889 
1 1 1 -9  -9  24 o 283.0594 13.24779 1959.211       178.7816 2437.343       272.7433 1598.998       236.7339 312.6626 18.32644 252.1610 19.79556 60.50154       26.97633 
1 1 1 -9  -9  25 o 133.2682 16.25535 444.7721       101.4288 374.8752       175.4697 479.8463       124.2989 116.0827 31.02365 137.1926 19.49931 -21.10992      36.64274 
1 1 1 -9  -9  26 o 42.42749 20.26189 -136.7170      115.1474 -58.25212      162.7384 -215.3841      162.9479 58.73264 26.66677 48.59588 23.43886 10.13676       35.50347 
1 1 1 -9  -9  27 o 94.08141 27.10905 248.0436       128.5724 167.8931       184.2121 324.1765       179.5359 83.30595 32.33281 104.9389 32.47546 -21.63292      45.82648 
1 1 1 -9  -9  28 o 50.35656 21.63164 10.90567       93.66460 192.2855       194.5163 -43.84530      106.8704 85.79312 33.24498 47.29784 21.52772 38.49529       39.60645 
1 1 1 -9  -9  29 o 58.36509 24.08895 52.77588       108.9662 21.00184       351.7546 56.14868       114.6037 81.91628 37.92834 59.71560 24.68089 22.20069       45.25158 
1 1 1 -9  -9  30 o 59.49095 24.78357 58.04749       116.8522 500.2161       368.7000 8.674703       123.2035 107.9654 44.40995 54.78151 24.14610 53.18390       50.54976 
1 1 1 -9  -8  1  o 151.5285 8.983210 551.7831       64.78594 583.8707       92.83997 521.3269       90.44913 155.5048 12.59543 146.8291 13.01982 8.675751       18.11520 
1 1 1 -9  -8  2  o 920.6163 11.96328 20325.93       526.5474 20866.94       1922.445 20282.05       547.4834 913.3007 44.15914 919.4969 12.45410 -6.196167      45.88174 
1 1 1 -9  -8  3  o 112.5778 8.728205 305.3065       46.61038 368.3123       72.87200 261.6830       60.63602 123.2748 12.53886 103.7021 12.48083 19.57272       17.69164 
1 1 1 -9  -8  4  o 559.6982 7.693480 7498.870       205.8663 7945.394       299.6112 7099.509       283.3469 575.7167 10.88531 544.2077 10.89044 31.50897       15.39778 
1 1 1 -9  -8  5  o 380.2175 14.63940 3478.982       265.6144 3378.542       377.3867 3577.579       373.9083 373.3035 21.23297 384.3745 20.42036 -11.07104      29.45896 
1 1 1 -9  -8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -8  7  o 319.8332 13.34048 2461.210       203.5396 2272.298       290.9112 2642.370       284.8804 306.0370 19.99228 330.5347 18.09661 -24.49771      26.96625 
1 1 1 -9  -8  8  o 111.0539 12.70553 300.0095       66.24543 62.83413       103.9615 462.1448       85.95607 62.88221 24.32138 138.0760 13.18094 -75.19380      27.66345 
1 1 1 -9  -8  9  f 324.0457 9.694485 2519.968       150.0206 2210.959       279.1557 2645.453       177.8923 301.6769 19.45892 331.8034 11.23038 -30.12646      22.46711 
1 1 1 -9  -8  10 o 589.6024 21.00266 8452.589       591.0817 7898.099       836.9748 9004.281       834.8608 564.2254 31.14869 603.9958 28.99627 -39.77039      42.55614 
1 1 1 -9  -8  11 o 381.2154 10.26668 3491.044       186.9447 3790.982       389.1167 3401.039       213.1563 394.3505 20.71163 375.9534 11.87410 18.39706       23.87396 
1 1 1 -9  -8  12 o 50.43341 20.72576 21.15641       80.20647 7.379122       128.2749 30.00055       102.7750 60.20156 25.57155 57.35041 23.50287 2.851154       34.73167 
1 1 1 -9  -8  13 o 277.0247 10.34570 1846.711       136.7801 1813.310       233.5558 1864.146       168.7457 272.6786 18.01655 277.8595 12.73666 -5.180878      22.06397 
1 1 1 -9  -8  14 o 382.5878 10.21414 3521.369       186.6606 3296.295       379.6768 3593.109       214.3544 366.0259 21.79540 386.1066 11.62550 -20.08069      24.70206 
1 1 1 -9  -8  15 o 85.96091 22.91760 188.4961       95.89849 679.0511       166.8888 -53.33251      117.1756 164.9693 21.68455 50.81421 22.89163 114.1550       31.53167 
1 1 1 -9  -8  16 o 340.7595 10.60797 2797.857       172.6073 2945.487       329.7536 2742.142       202.5763 346.1912 20.00873 336.7979 12.60311 9.393311       23.64715 
1 1 1 -9  -8  17 o 152.1351 12.77606 562.9944       92.06785 393.8290       145.2110 676.7103       119.0569 123.7101 25.40310 166.3509 15.13553 -42.64078      29.57028 
1 1 1 -9  -8  18 o 316.5964 11.95920 2423.405       180.6903 2649.119       244.6723 2152.628       267.9854 329.7585 15.56351 295.7753 19.05273 33.98322       24.60141 
1 1 1 -9  -8  19 o 199.6815 12.90874 969.0192       122.5736 1106.473       187.7481 866.9116       161.8182 211.5834 18.75438 187.2506 18.30943 24.33281       26.20996 
1 1 1 -9  -8  20 o 282.1658 13.07098 1933.827       175.8488 2109.523       263.5748 1792.889       236.0681 292.2241 18.96848 269.5600 18.42865 22.66412       26.44652 
1 1 1 -9  -8  21 o 333.2882 11.59112 2689.268       184.4133 3204.039       340.8254 2476.174       219.2858 359.5114 19.90718 318.6858 14.43004 40.82556       24.58703 
1 1 1 -9  -8  22 o 166.2973 14.08264 677.2367       110.9121 573.4023       184.5348 735.9597       138.7751 148.2395 27.03366 172.4778 17.05237 -24.23836      31.96251 
1 1 1 -9  -8  23 o 31.54140 15.33222 -124.1318      73.27572 -492.5246      141.2750 11.44857       85.70541 33.87856 17.17249 49.79128 21.01424 -15.91272      27.13840 
1 1 1 -9  -8  24 o 53.40545 25.07765 -142.4021      162.7081 0.000000       0.000000 -142.4021      162.7081 ?        ?        53.40545 25.07765 0.000000       25.07765 
1 1 1 -9  -8  25 o 62.17675 23.83427 74.36756       99.20932 -90.16611      276.4511 98.68950       106.2894 75.26337 34.39712 67.36993 24.91629 7.893448       42.47332 
1 1 1 -9  -8  26 o 74.49550 25.94794 136.3958       113.3507 98.00747       171.7897 165.9954       150.8483 75.64059 30.61390 82.33978 29.80476 -6.699196      42.72628 
1 1 1 -9  -8  27 o 166.3756 18.32065 706.2845       143.3173 738.0582       225.1082 684.6269       185.8501 162.0216 30.17087 159.5105 25.20704 2.511108       39.31509 
1 1 1 -9  -8  28 o 171.4762 22.73585 785.1413       181.8017 998.7455       235.6070 470.7866       285.8204 190.1612 26.64563 118.4070 41.20623 71.75419       49.07079 
1 1 1 -9  -8  29 o 134.1914 29.34328 527.3629       182.9950 489.0794       231.4249 591.2385       298.9319 122.3757 36.67403 128.5582 42.14904 -6.182465      55.87062 
1 1 1 -9  -8  30 o 82.01298 32.39103 189.2584       187.5899 200.8649       233.9660 168.3669       313.8975 85.03001 35.21528 86.03188 38.19988 -1.001869      51.95524 
1 1 1 -9  -7  1  o 369.8773 8.872355 3276.025       156.8935 3173.647       347.7225 3302.195       175.8065 362.2022 20.15998 371.1400 9.916953 -8.937744      22.46711 
1 1 1 -9  -7  2  o 323.9793 7.114317 2511.907       110.1942 2536.349       158.3165 2488.937       153.4727 325.1998 10.19540 322.1656 9.976251 3.034210       14.26436 
1 1 1 -9  -7  3  o 430.3114 7.362772 4431.779       151.4721 4256.438       216.3816 4600.265       212.1100 421.2839 10.75207 438.1750 10.12523 -16.89108      14.76914 
1 1 1 -9  -7  4  o 96.23255 9.280671 223.8611       42.16918 222.6087       63.27438 224.8618       56.56115 95.22863 14.34269 95.99561 12.63031 -0.7669754     19.11119 
1 1 1 -9  -7  5  o 660.5336 10.44347 10456.59       329.7980 10215.19       1000.673 10486.01       349.3146 644.8908 32.56156 661.3605 11.04765 -16.46973      34.38467 
1 1 1 -9  -7  6  o 583.9358 10.41250 8172.711       290.6890 8194.211       312.6397 8035.532       789.7181 584.5834 11.18637 573.2365 28.90907 11.34698       30.99789 
1 1 1 -9  -7  7  o 316.3459 13.19624 2407.076       199.1435 2263.406       284.8696 2544.394       278.5012 305.5926 19.60158 324.4089 18.02757 -18.81635      26.63109 
1 1 1 -9  -7  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -7  9  o 332.9700 8.710560 2658.043       138.5436 2050.138       203.0706 3187.379       189.4937 291.5715 14.61438 364.3524 10.89062 -72.78094      18.22596 
1 1 1 -9  -7  10 o 278.8855 12.26018 1872.071       163.0679 1900.860       232.9923 1844.429       228.3049 280.0399 17.48988 275.8556 17.39976 4.184326       24.67078 
1 1 1 -9  -7  11 f 450.7879 10.24866 4876.641       220.8757 4621.191       496.5833 4939.643       246.6136 434.4186 24.00307 453.3423 11.38745 -18.92374      26.56730 
1 1 1 -9  -7  12 f 81.53403 19.07911 167.6549       73.04485 171.1541       93.49966 162.1744       117.0137 82.48106 22.89997 81.99501 26.33180 0.4860458      34.89660 
1 1 1 -9  -7  13 o 336.2534 11.16850 2721.286       179.2945 2814.400       224.5724 2557.595       297.7562 341.3605 13.78890 323.7728 19.32380 17.58768       23.73906 
1 1 1 -9  -7  14 o 370.6342 14.67694 3325.295       259.5552 3298.606       371.1919 3350.829       363.0758 366.6398 21.26761 369.8262 20.61644 -3.186340      29.62007 
1 1 1 -9  -7  15 o 53.93680 22.61530 14.82845       98.24284 -86.67015      170.6905 65.10815       120.1367 60.22308 27.33046 65.77502 25.93890 -5.551945      37.67997 
1 1 1 -9  -7  16 o 56.48697 21.52896 56.31361       80.64178 -70.33167      106.1851 228.8948       123.9554 46.26915 21.21052 94.41642 26.42410 -48.14727      33.88391 
1 1 1 -9  -7  17 o 49.37167 18.96825 40.85800       62.93169 129.6235       108.5644 -4.063308      77.23100 74.53881 25.41771 45.54298 19.60419 28.99583       32.09959 
1 1 1 -9  -7  18 o 173.3410 13.86102 732.2000       113.9131 992.4854       224.6790 642.1434       132.1584 198.5289 24.16922 161.3491 17.40767 37.17979       29.78553 
1 1 1 -9  -7  19 o 136.0906 16.99600 458.5787       108.1777 295.9207       153.2256 620.2253       152.7484 106.2238 29.24766 157.3755 20.81124 -51.15171      35.89615 
1 1 1 -9  -7  20 o 276.7354 13.52727 1861.667       178.4290 1696.498       265.0798 1998.499       241.2707 260.8662 21.44363 285.0439 17.79328 -24.17761      27.86449 
1 1 1 -9  -7  21 o 286.2916 12.06597 1987.183       164.7799 1887.345       269.2068 2046.999       208.3752 275.3215 20.60146 289.4308 15.11123 -14.10934      25.54935 
1 1 1 -9  -7  22 o 155.7582 14.22116 595.0010       104.7326 829.2482       169.9434 451.5518       132.9891 182.1258 19.83776 133.2019 21.62411 48.92389       29.34517 
1 1 1 -9  -7  23 o 117.9064 17.77976 349.0644       97.11073 267.4411       159.5720 397.0755       122.3827 100.5305 30.52484 124.7282 21.28664 -24.19773      37.21407 
1 1 1 -9  -7  24 o 39.62494 19.22526 -180.9876      113.7739 -250.4129      153.1660 -95.52408      169.9393 45.28994 22.04966 58.21114 26.73958 -12.92120      34.65823 
1 1 1 -9  -7  25 o 82.85668 28.12674 173.9594       132.9195 203.9708       190.1010 145.2530       185.9217 91.09454 33.38508 83.39732 32.45053 7.697220       46.55749 
1 1 1 -9  -7  26 o 231.5121 14.27333 1320.986       157.2138 1538.072       254.4390 1186.925       199.9491 245.0257 21.95256 216.5896 19.51880 28.43610       29.37514 
1 1 1 -9  -7  27 o 60.33709 25.45530 31.88586       125.6805 -14.13890      200.4453 61.70155       161.3328 68.44563 30.45059 69.58443 29.06481 -1.138809      42.09515 
1 1 1 -9  -7  28 o 77.48557 28.23462 152.9019       135.6786 -24.09313      216.6585 267.0970       174.0280 68.77769 31.04286 95.99776 32.18347 -27.22007      44.71504 
1 1 1 -9  -7  29 f 49.63201 22.90041 -66.27618      126.6093 -129.2991      183.3429 -8.825658      175.0499 56.06115 26.41652 63.16336 28.25431 -7.102215      38.67995 
1 1 1 -9  -7  30 o 56.85038 26.15345 -53.18303      163.4121 -238.7983      331.6935 6.307474       187.7820 68.67422 33.20110 64.96396 29.14618 3.710266       44.17933 
1 1 1 -9  -7  31 o 89.60491 36.82468 266.5980       253.2132 477.2921       367.4377 76.04380       349.4353 104.5121 43.77311 80.62635 37.49291 23.88572       57.63509 
1 1 1 -9  -6  1  o 705.3566 24.10750 12058.27       811.7654 12223.53       1148.303 11893.17       1147.716 705.3526 34.15345 695.4731 34.62693 9.879517       48.63622 
1 1 1 -9  -6  2  o 110.1664 7.985990 292.0474       41.77607 259.4766       64.19848 315.9695       55.01871 103.1381 13.33111 114.3914 10.16602 -11.25327      16.76504 
1 1 1 -9  -6  3  o 328.1331 7.229728 2576.843       113.4176 2493.896       163.3707 2654.014       157.5794 322.4173 10.61304 332.6916 9.918233 -10.27432      14.52611 
1 1 1 -9  -6  4  o 291.0135 7.328359 2028.207       101.8785 1993.217       149.9853 2058.180       138.8178 288.1640 10.90649 292.9315 9.926555 -4.767487      14.74748 
1 1 1 -9  -6  5  o 94.90521 9.689076 218.0113       43.34624 278.1821       78.42519 191.5448       52.01289 106.4141 15.90220 88.46485 12.65829 17.94929       20.32516 
1 1 1 -9  -6  6  o 122.3940 8.811954 360.6128       51.21814 358.9689       82.08604 361.6608       65.54169 121.3993 14.42479 122.2929 11.33920 -0.8936157     18.34808 
1 1 1 -9  -6  7  o 504.1502 9.916723 6090.754       239.0212 6180.268       262.1880 5650.320       581.5772 507.7247 10.80130 481.6714 25.34422 26.05325       27.54992 
1 1 1 -9  -6  8  o 120.6340 9.822631 351.0502       56.16093 383.4346       86.01747 326.9883       74.14544 125.4638 14.61359 115.8846 13.64408 9.579170       19.99295 
1 1 1 -9  -6  9  o 429.1845 10.00815 4415.671       205.3555 4198.955       455.6438 4470.912       230.0440 415.3952 23.03347 431.5699 11.15876 -16.17471      25.59411 
1 1 1 -9  -6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -6  11 o 151.2160 12.62313 553.4379       90.42673 590.9806       125.7853 513.2825       130.0887 155.5053 17.20658 144.3528 19.33558 11.15242       25.88303 
1 1 1 -9  -6  12 f 390.7909 11.78909 3673.994       220.0068 3503.289       258.1972 4126.421       420.3429 381.0477 14.19790 411.2177 21.45499 -30.16998      25.72735 
1 1 1 -9  -6  13 o 413.7592 15.64219 4142.248       308.8665 4300.191       440.9895 3990.163       432.7341 419.1031 22.08690 403.4821 22.52244 15.62097       31.54507 
1 1 1 -9  -6  14 o 413.9094 11.21058 4123.770       221.6367 4398.780       266.6428 3509.026       398.6593 426.9709 13.07782 377.9688 22.15883 49.00214       25.73020 
1 1 1 -9  -6  15 f 70.14517 19.35037 123.7687       66.99851 -71.23926      109.4691 240.5649       84.71883 47.14786 21.58439 97.80164 18.80146 -50.65378      28.62483 
1 1 1 -9  -6  16 o 300.5956 10.77467 2177.935       154.5937 2111.260       249.6707 2219.392       196.8742 293.8409 17.85674 302.6986 13.63914 -8.857758      22.46974 
1 1 1 -9  -6  17 o 209.2635 12.81440 1061.710       127.5888 1189.510       190.7814 958.3008       171.6127 219.9976 18.30453 197.2788 18.40784 22.71878       25.95967 
1 1 1 -9  -6  18 o 103.3619 17.41726 267.3080       83.01286 302.1146       137.9034 247.5279       103.9580 107.7697 26.86149 98.20966 22.60917 9.560081       35.11003 
1 1 1 -9  -6  19 o 46.11054 20.59119 -33.80239      92.55383 33.24918       117.8352 -141.7899      149.5400 60.59230 25.03323 51.28094 24.06782 9.311356       34.72639 
1 1 1 -9  -6  20 o 223.0936 12.61992 1208.372       134.0532 1422.488       203.9783 1045.587       177.8551 240.3159 17.88204 205.7055 18.27473 34.61037       25.56821 
1 1 1 -9  -6  21 o 279.1161 12.32799 1890.078       164.1016 1811.243       264.4005 1939.474       209.2911 269.6672 20.66557 281.5092 15.61183 -11.84198      25.89971 
1 1 1 -9  -6  22 o 58.45715 24.14716 32.57510       109.6169 -23.90353      144.6324 108.8039       168.0286 59.45128 26.18477 78.16782 30.72211 -18.71654      40.36694 
1 1 1 -9  -6  23 o 170.9091 14.83654 717.5792       120.0291 631.3562       198.0401 767.6425       150.9041 155.1732 27.71182 175.6419 18.23577 -20.46864      33.17360 
1 1 1 -9  -6  24 o 172.3810 15.15006 732.4431       123.5880 665.8720       207.4642 769.0618       153.8692 158.5177 28.41917 175.3468 18.63992 -16.82912      33.98671 
1 1 1 -9  -6  25 o 181.1395 17.86321 821.5812       152.6855 1002.008       226.3380 670.9055       206.8371 196.4397 24.64085 158.2007 28.39030 38.23909       37.59230 
1 1 1 -9  -6  26 o 162.1796 20.58735 673.1467       156.0344 694.9918       233.7503 655.5894       209.5585 157.9430 32.05256 155.0493 29.34444 2.893692       43.45645 
1 1 1 -9  -6  27 o 143.8718 15.81652 518.5902       106.9993 661.4795       196.1202 458.0327       127.6752 156.3887 27.21880 132.9502 20.76534 23.43843       34.23539 
1 1 1 -9  -6  28 o 47.58762 20.64176 -0.3318744E-02 86.92963 235.7978       185.4415 -66.41305      98.41242 92.09354 33.08374 43.30328 20.05410 48.79026       38.68721 
1 1 1 -9  -6  29 o 112.1376 22.74214 343.0091       117.7485 -3.369334      330.5678 393.3437       126.0138 81.12032 37.27438 120.2798 22.74684 -39.15945      43.66690 
1 1 1 -9  -6  30 o 169.8841 18.68552 756.4419       149.2603 1169.204       287.8034 604.5763       174.5724 197.1834 31.59589 146.0093 25.95976 51.17406       40.89266 
1 1 1 -9  -6  31 o 75.15549 27.62578 160.3942       130.3236 -280.0315      281.2279 280.8405       147.0681 60.53399 29.56056 94.52916 29.41544 -33.99517      41.70246 
1 1 1 -9  -5  1  o 364.7295 7.004181 3183.388       122.1340 3334.028       174.5091 3038.758       170.9917 372.9390 9.795986 356.0027 10.05654 16.93625       14.03907 
1 1 1 -9  -5  2  o 155.4523 7.894290 579.9435       58.47828 574.1039       96.33604 583.3508       73.58687 154.1179 13.20161 155.7312 9.935440 -1.613373      16.52257 
1 1 1 -9  -5  3  o 546.1796 9.852937 7146.521       257.2821 7188.889       277.3975 6885.770       688.1780 547.7033 10.59373 531.6627 27.16428 16.04065       29.15691 
1 1 1 -9  -5  4  f 628.2563 21.82730 9549.073       654.6135 9450.791       926.3912 9647.090       925.1367 621.1227 31.29755 627.7355 30.92142 -6.612854      43.99626 
1 1 1 -9  -5  5  o 386.7127 14.29282 3596.740       263.7953 3807.996       374.3324 3388.326       371.8062 396.8308 19.79323 374.0239 20.87543 22.80698       28.76727 
1 1 1 -9  -5  6  o 415.2908 7.376513 4128.096       146.4576 4392.505       213.4790 3892.992       201.3016 428.1054 10.43029 402.8916 10.45967 25.21384       14.77145 
1 1 1 -9  -5  7  o 390.4686 14.65128 3669.184       273.0228 3751.365       387.8240 3588.438       384.4236 393.5255 20.68623 384.7898 20.97604 8.735779       29.46039 
1 1 1 -9  -5  8  o 486.8943 17.43820 5719.174       405.2686 5831.943       574.8604 5607.748       571.4276 489.4651 24.64518 479.8176 24.99636 9.647461       35.10275 
1 1 1 -9  -5  9  o 177.3646 9.959310 756.4199       84.11174 743.5539       119.8337 768.9141       118.0894 175.2779 14.42788 178.3298 13.96216 -3.051895      20.07749 
1 1 1 -9  -5  10 o 196.2850 11.12316 927.3751       103.9543 970.3244       157.8669 894.4940       138.1295 199.9575 16.66510 192.1885 15.15575 7.769012       22.52603 
1 1 1 -9  -5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -5  12 o 265.3249 12.24566 1696.077       154.9158 1591.907       216.2087 1805.978       222.0771 255.9086 17.78237 272.8085 17.11318 -16.89986      24.67942 
1 1 1 -9  -5  13 o 416.9692 10.77349 4179.679       214.5876 4279.313       452.5790 4150.784       243.7257 417.8873 22.73873 415.1712 12.29261 2.716095       25.84875 
1 1 1 -9  -5  14 o 188.1879 13.67382 858.5786       122.1848 852.6194       216.2352 861.3737       148.0931 184.5230 25.16657 187.8644 16.66113 -3.341370      30.18194 
1 1 1 -9  -5  15 o 356.9797 14.64560 3086.701       249.4226 3037.906       358.6526 3132.404       347.1044 351.5256 21.44270 357.4364 20.39668 -5.910736      29.59416 
1 1 1 -9  -5  16 o 232.5896 12.59358 1309.232       139.5164 1336.109       207.7397 1287.149       188.3013 233.2458 18.78816 229.3732 17.29875 3.872635       25.53903 
1 1 1 -9  -5  17 o 125.1273 18.22510 389.7278       105.8248 306.0161       139.5178 503.1374       162.3907 108.5518 26.99628 140.3604 25.12206 -31.80860      36.87705 
1 1 1 -9  -5  18 o 41.86124 18.99208 -45.13663      82.35375 89.87180       203.7161 -71.51037      90.03901 81.83423 33.25801 41.47607 19.19885 40.35815       38.40171 
1 1 1 -9  -5  19 o 98.74158 27.34990 253.5826       133.5414 306.3048       225.4800 225.0981       165.7352 109.3453 36.63307 94.90292 31.39689 14.44236       48.24673 
1 1 1 -9  -5  20 o 166.8717 15.86344 684.3892       125.0373 523.7767       251.2583 737.2578       144.1549 138.2599 37.20064 172.6862 17.71150 -34.42624      41.20176 
1 1 1 -9  -5  21 o 131.9293 24.52157 449.3403       148.9754 330.5144       261.7844 506.2530       181.1726 112.8934 39.42604 138.7318 28.27586 -25.83837      48.51739 
1 1 1 -9  -5  22 o 218.2929 16.14879 1172.133       167.3408 1746.619       299.3964 911.1239       201.8060 262.4777 24.12842 189.6546 22.70762 72.82312       33.13332 
1 1 1 -9  -5  23 o 122.3913 21.05634 382.1534       118.7665 595.2676       307.7527 344.8600       128.7394 143.7577 42.09351 115.0837 24.16896 28.67397       48.53867 
1 1 1 -9  -5  24 o 139.7574 17.83163 488.9791       116.4346 631.5010       209.0673 424.8984       140.1875 153.8300 29.50036 127.9341 23.79555 25.89586       37.90118 
1 1 1 -9  -5  25 o 57.26590 25.36148 -24.76239      137.4771 -143.1976      176.8464 156.1243       218.5542 56.08760 26.27555 87.96468 34.89232 -31.87708      43.67927 
1 1 1 -9  -5  26 o 63.48415 28.52127 -44.22511      180.4979 -458.5046      298.3470 194.9505       226.6905 61.72066 30.20540 92.08853 35.83223 -30.36787      46.86486 
1 1 1 -9  -5  27 o 172.3583 25.40102 788.6795       203.0427 1069.586       337.8764 629.8958       254.0271 190.0096 38.51438 146.1670 36.47160 43.84259       53.04277 
1 1 1 -9  -5  28 f 119.8984 32.72279 423.8497       192.7725 962.6097       412.5436 273.3510       218.0412 163.5689 48.95284 98.07366 35.78420 65.49528       60.63736 
1 1 1 -9  -5  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -5  31 o 65.25369 28.56793 48.25191       169.8190 239.2541       275.0551 -69.40277      215.8764 88.37698 37.48852 62.41539 29.17187 25.96159       47.50144 
1 1 1 -9  -4  1  o 327.3163 7.015729 2563.830       109.7865 2522.742       157.2146 2602.938       153.3794 324.3312 10.15152 329.4923 9.747453 -5.161133      14.07360 
1 1 1 -9  -4  2  o 58.05255 9.290060 82.72782       24.91485 82.04971       38.67915 83.20871       32.57242 57.33242 14.18884 57.82531 12.16803 -0.4928856     18.69182 
1 1 1 -9  -4  3  o 535.5214 7.446185 6863.993       190.6422 6978.525       272.6381 6754.414       266.6782 539.6277 10.56778 530.8998 10.50671 8.727905       14.90198 
1 1 1 -9  -4  4  o 596.1386 20.67904 8588.925       588.4747 8706.539       832.9213 8471.700       831.5381 596.9646 29.27341 588.6801 29.64109 8.284546       41.65966 
1 1 1 -9  -4  5  o 346.8848 13.20732 2892.361       218.6323 3058.781       310.5905 2728.905       307.8137 355.8475 18.31808 335.8726 19.24986 19.97495       26.57272 
1 1 1 -9  -4  6  o 492.1024 9.896993 5802.536       232.8451 5837.432       255.0449 5627.859       570.6219 493.4672 10.81060 481.0023 24.89853 12.46487       27.14417 
1 1 1 -9  -4  7  o 448.7969 9.326577 4825.309       200.1154 4245.014       479.6030 4947.635       220.1996 417.7021 24.11890 454.3602 10.13696 -36.65811      26.16256 
1 1 1 -9  -4  8  o 423.1960 9.458221 4291.242       191.3636 4191.241       445.5209 4313.865       211.9073 415.3799 22.51859 424.2003 10.44880 -8.820435      24.82467 
1 1 1 -9  -4  9  o 255.5696 9.211949 1567.047       112.3720 1622.341       201.4265 1542.061       135.4008 259.0479 16.34740 253.2987 11.20874 5.749252       19.82103 
1 1 1 -9  -4  10 o 214.8685 10.80551 1110.296       110.6446 1131.838       160.2880 1090.688       152.9221 216.2515 15.60866 212.3383 15.16357 3.913269       21.76153 
1 1 1 -9  -4  11 o 226.5222 11.58459 1235.352       125.0418 1222.319       206.8973 1242.852       156.9484 223.8668 19.52632 226.7482 14.55473 -2.881393      24.35400 
1 1 1 -9  -4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -4  13 o 191.0901 13.50348 884.0009       122.5706 923.4095       216.6458 865.4479       148.6486 192.7927 24.02434 188.4424 16.67142 4.350281       29.24218 
1 1 1 -9  -4  14 o 349.7444 11.13920 2944.397       186.0197 2852.479       342.1443 2982.969       221.6400 341.2035 21.07719 351.5374 13.21118 -10.33398      24.87536 
1 1 1 -9  -4  15 o 419.8709 11.23746 4245.963       225.3729 4291.350       461.1569 4231.721       258.3233 417.0592 23.21991 418.6611 12.92150 -1.601868      26.57309 
1 1 1 -9  -4  16 o 177.1584 13.11403 762.0369       110.2849 726.0223       169.3151 788.5768       145.3470 170.7796 21.19169 179.2643 17.16872 -8.484726      27.27366 
1 1 1 -9  -4  17 o 185.6374 13.17273 837.1627       116.1500 770.9860       177.0557 887.1561       153.8913 175.7616 21.51899 190.1086 17.11487 -14.34702      27.49519 
1 1 1 -9  -4  18 o 51.73713 22.56817 -14.72148      105.1428 -76.44784      140.0395 65.03341       159.1819 54.10939 24.63386 72.29235 29.39192 -18.18296      38.34986 
1 1 1 -9  -4  19 o 105.1849 19.04954 279.2340       92.26968 383.5283       162.2592 229.3904       112.1717 120.8541 28.54158 94.15971 24.63796 26.69444       37.70478 
1 1 1 -9  -4  20 o 267.8556 13.91790 1745.564       177.6194 1646.882       262.1092 1829.362       241.5339 257.0490 21.52589 272.3573 18.66221 -15.30838      28.48933 
1 1 1 -9  -4  21 o 79.21182 27.33761 149.2905       125.6861 113.9077       159.5683 207.1217       204.0010 77.85580 30.12667 94.46555 34.58998 -16.60976      45.87029 
1 1 1 -9  -4  22 o 211.7730 18.21308 1112.334       182.6111 953.0542       293.5824 1212.846       233.2169 187.8332 33.94148 219.1357 22.58374 -31.30246      40.76824 
1 1 1 -9  -4  23 o 159.5992 18.67337 636.8516       139.7922 1135.606       280.2971 471.7242       161.2817 208.2587 28.93215 134.2406 26.07000 74.01804       38.94501 
1 1 1 -9  -4  24 o 196.2722 19.04407 962.8651       176.4576 690.4978       479.5536 1005.518       189.7719 148.6142 53.22456 200.1177 20.10748 -51.50349      56.89609 
1 1 1 -9  -4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -4  27 o 226.6863 16.32385 1282.454       175.7269 1223.475       251.1012 1339.064       246.0078 215.6177 24.81052 227.1073 22.97293 -11.48962      33.81298 
1 1 1 -9  -4  28 o 170.6096 20.50323 754.9913       163.8904 560.6805       223.9934 978.8666       240.4307 137.3627 34.23231 189.1563 27.38203 -51.79356      43.83636 
1 1 1 -9  -4  29 o 75.13801 31.27395 104.4111       185.8277 401.8282       419.4303 31.77236       207.2818 109.2387 46.31368 70.97401 31.29995 38.26466       55.89852 
1 1 1 -9  -4  30 o 74.70068 26.10746 151.3933       114.8033 75.73173       249.7623 171.6612       129.2685 77.53967 34.26951 78.67215 27.68757 -1.132484      44.05680 
1 1 1 -9  -4  31 o 54.50375 23.54665 24.21408       112.2061 28.61064       256.3830 23.17247       124.7920 72.55486 33.14629 56.52717 24.62326 16.02768       41.29142 
1 1 1 -9  -3  1  o 371.7305 8.873653 3309.075       157.7027 3551.207       356.0597 3249.984       175.8964 383.3088 19.49369 368.1733 10.00227 15.13547       21.91003 
1 1 1 -9  -3  2  o 522.1020 7.368464 6524.162       183.9250 6611.587       262.4368 6439.771       257.8424 525.2611 10.45060 518.3969 10.40360 6.864197       14.74618 
1 1 1 -9  -3  3  o 460.1838 7.183822 5068.240       158.0503 5381.871       227.0992 4773.647       220.0989 473.9422 10.02263 446.3281 10.31467 27.61411       14.38213 
1 1 1 -9  -3  4  o 240.2259 7.068095 1382.297       81.08827 1521.646       120.9172 1268.414       109.3113 251.8014 10.06462 229.8690 9.970352 21.93242       14.16702 
1 1 1 -9  -3  5  o 218.8087 7.372526 1147.268       77.01379 1174.255       114.1621 1124.729       104.3289 221.0622 10.83488 216.4126 10.11151 4.649567       14.82016 
1 1 1 -9  -3  6  o 59.82612 11.93645 88.88934       32.94356 78.18090       48.00356 98.42258       45.29296 56.54976 16.64263 62.74486 15.24999 -6.195103      22.57298 
1 1 1 -9  -3  7  o 402.4447 15.00365 3899.213       288.1710 3960.961       409.2010 3838.460       405.8900 404.1945 21.25036 397.8336 21.41917 6.360870       30.17215 
1 1 1 -9  -3  8  o 298.8065 8.994164 2140.873       128.3408 1960.143       247.3339 2207.466       150.1348 284.5111 18.28016 303.2709 10.37007 -18.75974      21.01673 
1 1 1 -9  -3  9  o 27.45834 12.01205 -6.956043      29.97325 9.850917       52.61974 -15.02863      36.46788 40.27674 16.69237 29.02920 12.94683 11.24753       21.12477 
1 1 1 -9  -3  10 o 396.7413 10.57233 3778.290       200.3546 3704.196       228.9785 4020.313       413.8399 392.5563 12.21556 406.7076 21.35830 -14.15131      24.60481 
1 1 1 -9  -3  11 o 243.4714 11.38513 1426.445       132.1569 1500.936       191.0498 1358.095       183.0058 248.9477 16.13902 236.7296 16.26869 12.21811       22.91589 
1 1 1 -9  -3  12 o 125.9542 16.16046 389.1725       95.07447 435.7253       129.7137 335.1304       139.7587 132.2781 21.22907 114.7016 26.07825 17.57656       33.62660 
1 1 1 -9  -3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -3  14 o 232.6835 14.00451 1311.232       155.0697 1389.721       261.6704 1268.747       192.5170 236.8988 23.40947 227.9571 17.80593 8.941742       29.41181 
1 1 1 -9  -3  15 f 251.7656 13.23380 1533.928       158.7310 1738.081       244.7048 1385.628       208.5614 266.2510 19.35616 237.8523 18.48583 28.39874       26.76540 
1 1 1 -9  -3  16 o 245.6715 14.00641 1464.686       163.8275 1537.280       256.7119 1414.805       212.7933 249.1242 21.77226 240.0389 18.68968 9.085266       28.69382 
1 1 1 -9  -3  17 o 292.9004 13.88203 2081.608       193.8401 2097.619       284.1304 2067.668       265.1186 291.4996 20.51894 289.9570 19.23357 1.542572       28.12396 
1 1 1 -9  -3  18 o 70.63525 29.17534 49.83364       160.0043 -430.3062      324.1621 204.4925       183.9780 68.71021 33.12012 93.30473 33.01386 -24.59453      46.76385 
1 1 1 -9  -3  19 o 137.9861 21.16558 480.0304       135.1792 0.000000       0.000000 480.0304       135.1792 ?        ?        137.9861 21.16558 0.000000       21.16558 
1 1 1 -9  -3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -3  23 o 91.58919 25.69793 220.0643       117.0788 410.2240       381.6080 200.3049       123.0113 124.0815 46.93951 87.86791 26.82511 36.21362       54.06388 
1 1 1 -9  -3  24 o 259.8620 14.41259 1653.825       178.3564 1217.297       266.6075 2007.452       239.9599 216.7880 26.25797 284.6782 17.71881 -67.89020      31.67708 
1 1 1 -9  -3  25 o 92.27021 23.41722 225.0570       103.4581 380.2871       176.6405 144.0004       127.6428 117.2745 31.02892 77.48529 27.49076 39.78925       41.45522 
1 1 1 -9  -3  26 o 181.3430 17.58164 826.0561       150.5190 661.4099       305.8482 878.6780       172.9074 146.6856 41.66633 185.9306 19.75351 -39.24496      46.11164 
1 1 1 -9  -3  27 o 184.9629 15.66838 853.3768       137.2510 719.9940       217.0899 942.1937       177.1484 161.8832 29.12036 192.2571 19.54425 -30.37393      35.07097 
1 1 1 -9  -3  28 f 49.53383 21.89103 -14.88919      101.9052 0.4097034E-08  179.4700 -21.97374      123.7977 65.78295 29.06264 53.69688 23.90730 12.08607       37.63238 
1 1 1 -9  -3  29 f 64.09518 26.01822 73.15198       124.5068 149.6441       497.3159 68.03693       128.6023 97.97330 45.26968 64.00784 26.26754 33.96546       52.33858 
1 1 1 -9  -3  30 o 62.33489 25.62479 66.67424       122.6555 -74.17188      354.8120 85.79013       130.7143 77.91966 36.72637 65.89623 26.69191 12.02343       45.40137 
1 1 1 -9  -3  31 o 192.1055 18.93258 983.4231       171.6258 1059.029       386.8568 964.8960       191.5030 156.5836 47.52465 187.2508 21.79872 -30.66721      52.28553 
1 1 1 -9  -3  32 o 191.6720 20.68554 1017.548       186.5557 1938.537       638.4481 931.5708       195.0692 159.8603 60.65950 180.3601 23.15605 -20.49979      64.92902 
1 1 1 -9  -2  1  o 581.1671 7.484670 8084.262       207.9611 8150.574       296.2509 8019.841       291.9980 583.1643 10.62577 578.4780 10.55807 4.686340       14.97931 
1 1 1 -9  -2  2  o 344.8226 7.116364 2845.654       117.3173 2713.777       168.6308 2969.355       163.3202 336.3420 10.49977 351.9253 9.716209 -15.58328      14.30559 
1 1 1 -9  -2  3  o 268.1463 7.128870 1722.065       91.30939 1612.726       132.5626 1820.772       125.9527 259.1692 10.72182 275.5228 9.576403 -16.35364      14.37584 
1 1 1 -9  -2  4  o 456.1295 9.389691 4983.998       204.7613 5462.754       513.1335 4893.325       223.3110 474.5840 22.68129 451.8596 10.33709 22.72433       24.92582 
1 1 1 -9  -2  5  o 112.9589 10.02337 308.1565       53.56919 469.0112       104.4819 250.7924       62.39421 138.7258 16.04911 101.3699 13.18664 37.35585       20.77165 
1 1 1 -9  -2  6  o 681.9374 8.215763 11135.54       267.8556 10704.82       389.1610 11523.29       369.2342 667.9329 12.18676 693.2109 11.14110 -25.27802      16.51185 
1 1 1 -9  -2  7  o 565.5092 11.23874 7670.208       303.8546 7571.062       328.9996 8245.450       792.4715 561.6661 12.25205 580.3805 28.64882 -18.71442      31.15875 
1 1 1 -9  -2  8  o 262.6105 9.416901 1654.722       118.0388 1554.697       216.9130 1696.803       140.6947 253.2601 18.03270 265.7421 11.09854 -12.48199      21.17442 
1 1 1 -9  -2  9  f 137.5419 12.07958 457.6201       78.62598 390.6377       124.7128 501.8073       101.2928 125.2633 21.60493 143.6501 14.96838 -18.38676      26.28356 
1 1 1 -9  -2  10 o 350.3516 11.58248 2950.094       193.7388 3066.759       246.5877 2761.918       313.1717 356.6809 14.49067 337.2988 19.50363 19.38211       24.29755 
1 1 1 -9  -2  11 o 203.7489 13.20970 1002.766       127.9821 741.2932       218.9188 1138.529       157.7467 171.7605 27.59378 216.7889 15.31865 -45.02843      31.56070 
1 1 1 -9  -2  12 o 412.0229 12.37069 4087.077       243.4061 4159.913       298.1078 3941.396       421.5990 414.9778 15.05082 401.5171 22.04740 13.46072       26.69484 
1 1 1 -9  -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -2  17 o 51.60614 23.78465 -95.55150      136.0304 46.59945       235.7340 -166.5163      166.5593 82.23074 34.78553 53.51637 25.20537 28.71437       42.95746 
1 1 1 -9  -2  18 f 82.70564 24.36146 173.8873       102.8201 35.98095       248.9631 202.2461       112.8981 83.01305 35.45457 88.74374 25.35016 -5.730698      43.58506 
1 1 1 -9  -2  19 o 228.4577 14.04847 1271.184       152.6996 1020.449       361.3156 1325.706       168.4856 192.0283 40.62609 232.9560 15.21116 -40.92776      43.38040 
1 1 1 -9  -2  20 o 97.36980 25.59811 247.3713       120.7141 267.9362       158.5965 219.0499       186.1181 101.1187 30.37282 94.89040 33.23602 6.228333       45.02378 
1 1 1 -9  -2  21 o 256.9529 13.62627 1608.965       166.7951 1551.661       249.6755 1655.151       224.1512 249.0038 21.17367 258.6988 18.24027 -9.694946      27.94695 
1 1 1 -9  -2  22 o 276.7393 14.63722 1873.703       192.9704 1656.082       293.5858 2039.236       256.0513 254.9863 24.37948 286.6455 18.78771 -31.65924      30.77884 
1 1 1 -9  -2  23 o 50.78762 21.62364 7.153321       92.09826 247.6002       153.5209 -128.0324      115.1128 96.85419 30.04010 43.51653 20.63236 53.33765       36.44313 
1 1 1 -9  -2  24 o 86.58336 23.83059 196.2879       101.7452 -214.2909      165.2961 446.7396       129.1001 49.80412 23.91527 132.1691 21.14324 -82.36501      31.92141 
1 1 1 -9  -2  25 o 81.78034 26.97708 171.7148       122.3861 -325.1904      421.0919 217.5619       127.9075 81.77458 38.96779 90.31931 27.30896 -8.544724      47.58433 
1 1 1 -9  -2  26 o 59.92099 24.82768 40.19127       116.3689 -0.5755333E-03 318.9643 46.36234       124.9837 84.89919 38.04621 62.30306 25.76463 22.59613       45.94921 
1 1 1 -9  -2  27 o 216.6906 16.97893 1178.719       174.4935 1520.656       361.5697 1074.901       199.2296 231.5551 33.64479 204.5632 20.65383 26.99193       39.47850 
1 1 1 -9  -2  28 o 57.51813 24.57376 21.73838       119.6705 208.3971       332.6908 -6.002231      128.2551 96.85251 41.16238 56.13811 24.69411 40.71440       48.00146 
1 1 1 -9  -2  29 o 48.64531 22.35112 -57.13076      118.8395 453.5591       345.8419 -125.5051      126.5452 112.4548 44.11227 45.14926 21.47153 67.30553       49.06036 
1 1 1 -9  -2  30 o 83.16047 33.72757 181.4519       209.0081 411.3225       579.7599 147.1137       224.0759 105.6013 48.82394 80.73887 34.02188 24.86246       59.50853 
1 1 1 -9  -2  31 o 71.32887 30.70192 96.33374       189.3969 225.5114       350.0728 42.87543       225.2020 88.60320 39.77027 70.27753 31.69085 18.32566       50.85257 
1 1 1 -9  -2  32 o 84.66902 34.37221 246.2504       217.3144 805.9647       554.1180 144.5158       236.2401 107.2729 48.90057 76.18716 33.51387 31.08573       59.28276 
1 1 1 -9  -1  1  o 40.81410 10.22739 41.48482       19.91400 32.34605       46.93302 43.49138       21.99182 43.45670 16.45649 41.82718 10.89187 1.629528       19.73446 
1 1 1 -9  -1  2  o 165.7655 9.750924 660.6192       76.93536 0.000000       0.000000 660.6192       76.93536 ?        ?        165.7655 9.750924 0.000000       9.750924 
1 1 1 -9  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  -1  9  o 176.4903 22.24975 767.5110       183.5753 767.5110       183.5753 0.000000       0.000000 176.4903 22.24975 ?        ?        0.000000       22.24975 
1 1 1 -9  -1  10 o 294.5826 11.69878 2087.535       164.4340 2294.158       231.8739 1878.503       233.2216 308.0619 15.79640 278.2866 17.61992 29.77530       23.66406 
1 1 1 -9  -1  11 o 491.8571 10.47084 5807.891       246.2230 5574.289       593.6595 5856.424       270.5946 475.8795 26.19452 493.6980 11.46435 -17.81854      28.59343 
1 1 1 -9  -1  12 f 423.1329 10.62467 4303.617       214.7618 4178.196       465.4932 4337.533       242.0640 412.4216 23.70814 424.4911 11.93947 -12.06949      26.54481 
1 1 1 -9  -1  13 o 197.2973 13.49830 942.9776       126.5565 1400.934       253.3171 790.6533       146.0956 238.1998 22.51113 179.7980 17.20554 58.40189       28.33340 
1 1 1 -9  -1  14 o 279.9697 10.78206 1888.232       144.0485 1573.036       255.3597 2035.342       174.4548 252.5958 21.34510 290.2846 12.60046 -37.68881      24.78679 
1 1 1 -9  -1  15 o 150.3324 20.56971 563.4178       143.9659 531.3788       225.8282 585.3536       186.8597 141.6651 33.81380 151.2525 26.82279 -9.587418      43.16058 
1 1 1 -9  -1  16 o 281.9991 13.75733 1929.312       184.9174 1593.182       265.1722 2247.507       258.0007 253.1972 22.12802 302.9195 17.89470 -49.72223      28.45821 
1 1 1 -9  -1  17 o 390.6539 15.83816 3718.716       295.1917 3526.300       421.2607 3904.348       413.7682 376.1038 23.54611 396.9112 21.88973 -20.80743      32.14933 
1 1 1 -9  -1  18 o 109.8827 29.60303 318.0177       158.9853 419.4199       236.2923 234.1414       214.9046 124.6451 36.98663 99.36663 35.62496 25.27852       51.35317 
1 1 1 -9  -1  19 o 87.44080 26.69657 195.4186       121.8325 94.14666       148.0103 408.2187       214.5524 73.81910 28.88721 122.8377 34.89974 -49.01857      45.30411 
1 1 1 -9  -1  20 o 273.6981 16.24904 1837.198       211.6649 1835.516       385.0593 1837.926       253.3799 265.0714 30.96764 272.2001 19.60169 -7.128723      36.64998 
1 1 1 -9  -1  21 o 284.1973 15.95261 1982.601       215.8804 1851.338       360.3340 2056.095       269.6263 266.9962 28.67773 287.4625 19.73862 -20.46631      34.81415 
1 1 1 -9  -1  22 o 383.3542 16.80051 3619.100       307.1674 4300.422       510.1673 3231.659       384.7157 409.5730 26.19115 357.9956 22.59303 51.57742       34.58933 
1 1 1 -9  -1  23 o 174.7059 18.92117 764.3781       155.5193 419.5371       306.3329 884.1196       180.5121 122.4226 42.65579 187.3201 20.49029 -64.89754      47.32196 
1 1 1 -9  -1  24 f 84.22106 28.57339 178.3657       137.1727 211.1728       356.1282 172.6504       148.6415 104.8925 43.44458 84.11980 29.68261 20.77267       52.61643 
1 1 1 -9  -1  25 o 87.94301 28.51299 204.4285       136.9914 196.0824       306.9106 206.5051       153.0877 98.31750 40.48777 88.90261 30.18521 9.414886       50.50155 
1 1 1 -9  -1  26 o 76.55471 28.39758 136.4059       138.2510 54.20782       315.4449 155.9486       153.8101 87.56696 38.61510 80.82012 29.95795 6.746834       48.87336 
1 1 1 -9  -1  27 o 112.7768 28.11431 354.4546       151.0480 0.1719411E-01  330.3768 448.1226       169.8382 84.78844 38.29543 126.7742 28.69308 -41.98572      47.85220 
1 1 1 -9  -1  28 o 147.2177 28.87479 613.1630       195.9653 595.9359       278.2361 630.1204       276.0504 135.0092 40.15354 139.5727 39.56404 -4.563492      56.37038 
1 1 1 -9  -1  29 o 136.2388 31.10992 558.1880       198.1673 317.1191       282.6787 791.1494       277.8846 99.72738 39.64217 155.4753 37.76447 -55.74795      54.75086 
1 1 1 -9  -1  30 o 103.5720 26.30368 313.7416       130.4715 204.5300       270.7430 346.7751       148.9019 87.53669 37.16528 107.3296 28.53085 -19.79287      46.85368 
1 1 1 -9  -1  31 o 67.64467 26.59576 115.1877       125.9624 376.5753       274.9018 45.72364       141.7148 98.59976 39.12564 60.89048 26.38398 37.70928       47.19036 
1 1 1 -9  0   1  o 313.9145 10.11453 2364.049       151.5997 2364.049       151.5997 0.000000       0.000000 313.9145 10.11453 ?        ?        0.000000       10.11453 
1 1 1 -9  0   2  o 745.7023 7.912970 13313.65       282.1066 13876.96       404.6096 12780.74       393.5387 760.7269 11.12498 730.0306 11.27556 30.69635       15.83993 
1 1 1 -9  0   3  o 524.2933 7.392190 6580.171       185.2916 6850.477       269.0260 6336.220       255.5750 534.5679 10.52647 514.1296 10.39770 20.43835       14.79591 
1 1 1 -9  0   4  o 296.6791 7.236554 2106.941       102.6425 2368.498       158.6922 1918.815       134.5852 314.1322 10.58170 282.7748 9.970763 31.35742       14.53920 
1 1 1 -9  0   5  o 197.7262 8.196910 937.8706       77.31789 1039.804       133.7647 886.7277       94.74919 207.6085 13.55090 192.0424 10.35810 15.56606       17.05629 
1 1 1 -9  0   6  o 444.2796 9.530152 4730.511       202.4252 5207.402       494.6494 4634.582       221.8525 462.9308 22.41640 439.6238 10.55540 23.30701       24.77724 
1 1 1 -9  0   7  o 465.1045 7.910676 5180.677       175.9027 5451.121       268.2195 4976.579       233.0083 476.5528 11.77256 455.5002 10.69977 21.05258       15.90843 
1 1 1 -9  0   8  o 171.2336 11.03878 706.4933       89.88732 653.7967       167.8831 727.6709       106.4274 162.6964 22.15877 173.5418 12.92017 -10.84535      25.65038 
1 1 1 -9  0   9  o 375.3145 8.650300 3375.960       155.2154 3684.555       249.0191 3179.892       198.4910 391.1725 13.33495 363.7243 11.42877 27.44821       17.56239 
1 1 1 -9  0   10 o 347.0411 10.14101 2892.880       168.0755 2881.136       335.8990 2896.802       194.1255 343.7962 20.52966 346.9977 11.71848 -3.201447      23.63873 
1 1 1 -9  0   11 o 452.7699 10.44520 4923.360       226.1010 5122.815       522.7797 4877.466       250.7678 456.7242 24.02628 450.2488 11.65940 6.475311       26.70588 
1 1 1 -9  0   12 o 64.57040 24.10531 79.37120       99.92115 -138.2839      218.0594 137.2198       112.4182 66.14134 30.34813 76.76649 25.86774 -10.62514      39.87667 
1 1 1 -9  0   13 o 60.72501 20.68094 83.70937       71.86764 84.23231       233.0679 83.65442       75.54904 86.11750 35.35374 61.26317 21.19248 24.85433       41.21903 
1 1 1 -9  0   14 o 418.9535 12.24117 4236.111       244.9238 4792.217       502.2167 4062.575       280.5480 439.8076 23.97538 409.5440 14.35059 30.26364       27.94205 
1 1 1 -9  0   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0   16 o 342.6423 13.91806 2849.164       227.5220 3227.612       438.3285 2709.593       266.1906 358.3969 25.75326 333.0017 16.77408 25.39511       30.73435 
1 1 1 -9  0   17 o 192.1538 19.46066 915.7505       176.3161 916.4270       277.3472 915.2916       228.4133 186.6680 32.24294 189.5582 25.87913 -2.890228      41.34412 
1 1 1 -9  0   18 o 209.3069 15.86502 1073.590       157.5745 1461.293       286.8569 906.0464       188.5728 240.1414 25.36861 190.3697 21.07156 49.77171       32.97843 
1 1 1 -9  0   19 o 152.6983 19.21438 582.6999       137.1728 477.7563       270.6302 618.9825       159.1283 131.2231 39.73324 156.4889 21.86551 -25.26581      45.35230 
1 1 1 -9  0   20 o 335.9414 15.82199 2764.819       253.4025 2953.937       399.8481 2637.879       327.5880 341.4742 24.65833 325.0118 21.19809 16.46243       32.51757 
1 1 1 -9  0   21 o 150.3339 21.53679 574.6229       150.3752 462.5217       405.7375 592.4731       161.9054 129.2757 48.51003 152.0857 22.98347 -22.81004      53.67926 
1 1 1 -9  0   22 o 152.9246 18.89601 587.5280       135.2157 520.6678       230.1975 622.7486       167.0766 136.5650 35.07574 155.7091 23.14663 -19.14407      42.02468 
1 1 1 -9  0   23 o 179.1096 17.38906 798.4461       147.0313 864.8389       247.3048 762.1476       182.8589 180.0940 29.76130 172.6051 22.70958 7.488846       37.43608 
1 1 1 -9  0   24 o 199.3456 19.13653 999.1357       180.1429 447.7321       389.3599 1149.316       203.1993 124.7330 47.36145 213.3543 20.16013 -88.62138      51.47366 
1 1 1 -9  0   25 o 54.15313 24.03460 -23.95675      124.1264 -129.0585      230.3552 19.04661       147.3480 65.80215 30.54536 63.18924 27.13764 2.612919       40.85915 
1 1 1 -9  0   26 o 284.1537 18.26973 2037.217       246.8804 2001.034       432.2574 2054.735       300.7614 264.1410 35.09707 281.5939 22.52813 -17.45291      41.70517 
1 1 1 -9  0   27 o 114.4290 32.73997 383.0916       188.1660 574.7427       259.3207 169.9784       273.4554 136.1779 38.25834 90.97868 37.90804 45.19918       53.85834 
1 1 1 -9  0   28 o 68.29807 29.96674 26.30424       187.7792 45.66635       258.9594 4.834070       272.6924 78.02161 34.66673 76.72354 34.70903 1.298065       49.05608 
1 1 1 -9  0   29 o 142.6560 23.98415 564.8701       157.7791 839.5377       284.4930 442.8610       189.6113 158.9052 37.96792 118.9300 32.45128 39.97520       49.94646 
1 1 1 -9  0   30 o 59.01210 25.17445 41.81731       125.2582 372.3661       273.5536 -45.87319      140.8967 101.5801 39.40763 53.19688 24.40351 48.38321       46.35184 
1 1 1 -9  0   31 o 57.59989 27.56139 -135.7759      215.2925 285.4289       484.8367 -239.2289      240.2815 90.53101 42.74990 56.22667 27.42806 34.30434       50.79225 
1 1 1 -9  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  1   2  o 435.3058 10.13193 4542.257       210.8604 4542.257       210.8604 0.000000       0.000000 435.3058 10.13193 ?        ?        0.000000       10.13193 
1 1 1 -9  1   3  o 322.8427 7.129775 2495.004       110.0462 2406.623       159.8494 2574.630       151.7258 316.6313 10.57447 327.6158 9.697607 -10.98450      14.34793 
1 1 1 -9  1   4  o 341.6637 7.250846 2794.645       118.4393 2855.512       176.0459 2744.313       160.0862 344.8978 10.68936 338.2094 9.911256 6.688324       14.57722 
1 1 1 -9  1   5  o 398.4741 7.519469 3801.927       143.2503 3821.523       213.5904 3785.907       193.1251 398.9374 11.20984 397.2290 10.17764 1.708435       15.14084 
1 1 1 -9  1   6  o 178.5887 8.978705 766.2264       76.41538 702.1320       128.5718 801.2327       95.01873 169.9764 16.01011 182.4169 10.94556 -12.44052      19.39404 
1 1 1 -9  1   7  o 561.9705 8.121673 7565.737       218.2063 6976.074       320.6061 8074.603       297.8317 538.8370 12.44532 580.0898 10.73909 -41.25275      16.43818 
1 1 1 -9  1   8  f 570.7804 20.36235 7913.588       554.7650 7745.408       787.1630 8079.559       781.9750 559.8101 29.51568 572.3141 28.67051 -12.50397      41.14819 
1 1 1 -9  1   9  o 449.7991 9.893993 4855.103       212.7642 4687.015       502.3129 4891.852       234.8744 437.1647 24.12728 451.3146 10.88549 -14.14996      26.46922 
1 1 1 -9  1   10 o 511.3458 8.456020 6269.866       206.7231 6412.259       315.4029 6162.629       273.7114 516.0912 12.78294 506.3352 11.30697 9.756042       17.06608 
1 1 1 -9  1   11 o 83.63640 22.69086 177.0097       93.01670 164.8865       185.8640 181.0606       107.4391 89.25115 32.95935 84.93285 24.87169 4.318298       41.29068 
1 1 1 -9  1   12 f 259.2354 12.49871 1623.293       154.4494 1683.209       231.4045 1575.159       207.4092 262.3705 18.56790 254.1856 17.16817 8.184967       25.28860 
1 1 1 -9  1   13 o 169.6692 13.92659 700.4409       111.9748 533.2659       167.4865 835.5563       150.5729 144.8680 25.09079 184.6002 17.26122 -39.73219      30.45484 
1 1 1 -9  1   14 f 248.5238 12.27803 1494.254       145.4315 1809.416       236.2354 1301.918       184.5479 271.6428 18.29697 230.6989 16.84844 40.94392       24.87266 
1 1 1 -9  1   15 o 257.4880 18.59317 1630.951       227.3443 0.000000       0.000000 1630.951       227.3443 ?        ?        257.4880 18.59317 0.000000       18.59317 
1 1 1 -9  1   16 o 175.6808 15.38551 756.1027       127.9214 762.3881       212.0077 752.5043       160.4125 172.4589 26.56492 173.9578 19.63039 -1.498917      33.03100 
1 1 1 -9  1   17 o 362.4598 12.84643 3184.489       222.2610 3156.409       394.1646 3197.579       269.1275 355.2877 23.33457 362.0302 15.58560 -6.742493      28.06088 
1 1 1 -9  1   18 o 186.0288 20.69672 866.0656       180.9602 977.4290       332.4842 819.1914       215.7082 188.5786 38.18932 178.6026 26.02703 9.975952       46.21504 
1 1 1 -9  1   19 o 117.9145 30.68002 372.8726       174.5836 387.7284       328.3383 367.0169       206.1392 121.3382 43.96490 116.3894 34.54853 4.948860       55.91523 
1 1 1 -9  1   20 o 123.3189 26.11078 399.8983       149.1412 208.1737       210.6588 592.5676       211.1771 94.52754 35.05593 148.5905 30.74137 -54.06300      46.62564 
1 1 1 -9  1   21 o 227.1836 15.14674 1268.316       163.5749 1156.168       265.5669 1336.875       207.6382 210.7962 26.96821 231.5349 18.92273 -20.73869      32.94471 
1 1 1 -9  1   22 o 364.6295 16.08579 3272.731       279.7258 3236.065       416.6021 3302.833       377.4705 355.7678 24.64558 361.8816 21.92045 -6.113800      32.98350 
1 1 1 -9  1   23 o 54.76804 24.15440 -20.72540      123.4596 127.2187       403.5480 -36.00230      129.6773 102.6110 44.49183 54.63005 24.38605 47.98095       50.73660 
1 1 1 -9  1   24 o 50.21323 22.80171 -54.08957      119.0320 -186.6875      268.7366 -21.72600      132.7659 68.75275 32.26674 56.39497 24.95204 12.35777       40.78905 
1 1 1 -9  1   25 o 87.34292 32.57586 188.2651       182.3979 153.8429       286.7878 211.6467       236.3627 92.13583 38.63623 93.70658 36.55253 -1.570747      53.18689 
1 1 1 -9  1   26 o 87.79707 34.93456 175.2228       219.7390 -46.98303      501.2353 228.0889       244.4852 95.95641 44.71661 94.92003 37.13190 1.036385       58.12360 
1 1 1 -9  1   27 o 111.2314 27.30843 347.4860       144.1346 292.0638       315.1501 362.1449       162.0791 102.4526 41.46501 112.2155 29.73746 -9.762878      51.02610 
1 1 1 -9  1   28 o 92.47697 28.90632 250.0767       141.8513 823.7277       326.7453 116.8498       157.4641 152.4102 42.98941 73.29511 29.43471 79.11512       52.10078 
1 1 1 -9  1   29 o 70.21519 28.25825 110.4063       145.4603 -316.2697      396.6304 176.7115       156.3546 71.82036 35.07930 79.71187 30.07011 -7.891510      46.20356 
1 1 1 -9  1   30 o 129.8889 32.67915 550.5034       202.7289 516.5576       314.8193 574.5525       264.9827 111.2453 42.50392 122.9228 39.63910 -11.67749      58.11920 
1 1 1 -9  1   31 o 135.6078 25.03659 548.8640       156.3405 333.8291       324.3014 613.9701       178.4453 90.47034 39.54608 140.7387 27.50705 -50.26839      48.17189 
1 1 1 -9  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  2   3  o 438.3100 7.097826 4599.496       148.7356 4709.636       211.9423 4492.617       208.7813 443.1906 10.00273 432.8477 10.08900 10.34293       14.20713 
1 1 1 -9  2   4  o 484.4008 7.375090 5618.731       170.7971 5647.379       245.2285 5591.743       238.0201 485.1929 10.57178 482.8386 10.31106 2.354279       14.76755 
1 1 1 -9  2   5  o 103.3909 9.839528 258.6530       48.05111 245.1146       76.98421 267.2937       61.50227 99.46969 16.78510 104.7351 12.53102 -5.265373      20.94674 
1 1 1 -9  2   6  o 291.3830 7.637630 2035.207       106.3057 2173.661       159.6985 1925.042       142.4531 300.6794 11.12855 283.0226 10.54636 17.65683       15.33201 
1 1 1 -9  2   7  o 207.6175 8.333078 1034.823       82.54574 1008.885       121.5073 1057.053       112.4883 204.4471 12.49081 209.4716 11.27398 -5.024460      16.82626 
1 1 1 -9  2   8  o 97.09119 13.57761 231.3812       61.30392 301.0222       89.12812 168.8527       84.45425 110.2074 17.50020 81.77011 21.36966 28.43732       27.62100 
1 1 1 -9  2   9  o 477.2400 8.295389 5461.515       189.2701 5391.687       283.0690 5517.976       254.5356 473.0706 12.52680 479.1053 11.11243 -6.034698      16.74536 
1 1 1 -9  2   10 o 207.3016 10.83014 1036.004       106.9637 1058.563       170.6630 1021.410       137.2706 208.2115 17.30071 205.2366 14.07511 2.974915       22.30299 
1 1 1 -9  2   11 o 100.1173 15.11619 247.7870       70.10164 97.32192       121.3803 323.0926       85.87052 70.94326 26.55106 114.3763 16.15272 -43.43306      31.07844 
1 1 1 -9  2   12 o 63.08425 24.41735 66.49867       104.8405 -111.9619      202.2427 132.0793       122.5998 64.56306 29.47391 76.67816 26.96574 -12.11510      39.94825 
1 1 1 -9  2   13 o 95.18447 22.45592 232.2290       100.5256 31.06706       141.7715 435.6382       142.5611 65.29118 27.25680 130.8217 23.66450 -65.53052      36.09628 
1 1 1 -9  2   14 o 156.4614 15.96687 601.5359       117.7637 150.3308       251.7552 727.9172       133.2395 93.74104 37.36233 172.1433 16.38698 -78.40227      40.79800 
1 1 1 -9  2   15 o 185.4779 15.72673 843.1926       138.1431 1026.863       249.3740 761.8757       165.9290 200.5337 26.67164 174.8210 20.22535 25.71269       33.47299 
1 1 1 -9  2   16 o 206.1991 15.54131 1041.067       152.0808 990.8055       262.7532 1066.387       186.4943 195.5863 28.97479 207.5059 19.00964 -11.91956      34.65407 
1 1 1 -9  2   17 o 61.82380 24.40876 59.27074       106.4911 -13.18043      223.5562 80.53588       121.1151 74.76171 32.75289 67.63112 26.22587 7.130592       41.95889 
1 1 1 -9  2   18 o 436.1227 15.72194 4651.635       327.2743 4974.856       452.8429 4298.222       473.5206 446.9126 21.25510 412.9839 24.08721 33.92868       32.12434 
1 1 1 -9  2   19 o 272.5468 16.79525 1830.001       217.7817 1567.585       419.2678 1926.966       254.8612 238.2767 38.08643 278.4122 19.26611 -40.13551      42.68206 
1 1 1 -9  2   20 o 207.9750 20.95895 1090.231       205.5565 728.2889       422.7835 1202.276       235.2312 152.9351 50.12483 217.3918 22.98052 -64.45670      55.14166 
1 1 1 -9  2   21 o 167.0835 22.63409 714.9904       176.1575 782.8995       270.3774 664.9025       232.2056 167.9444 34.81819 155.9954 32.20296 11.94899       47.42717 
1 1 1 -9  2   22 o 92.41648 26.92002 226.5920       126.1576 421.3265       269.4652 171.9258       142.7712 121.4981 40.02727 83.54263 29.11993 37.95551       49.49901 
1 1 1 -9  2   23 o 194.4640 17.80963 946.2928       163.7413 738.8157       304.3222 1030.832       194.2569 157.8827 40.21292 201.6443 20.43204 -43.76161      45.10595 
1 1 1 -9  2   24 o 178.2607 19.18348 807.7269       160.9198 512.2034       310.7440 916.0190       188.1069 128.0331 43.00645 188.7388 21.21344 -60.70569      47.95377 
1 1 1 -9  2   25 o 65.06441 29.27018 -36.76643      190.8118 -109.0731      297.6882 13.65816       248.5958 75.29950 34.87418 76.86413 34.06929 -1.564629      48.75372 
1 1 1 -9  2   26 o 65.14542 30.16354 -101.5221      222.4822 61.72496       460.0934 -151.3438      254.1747 96.84958 44.30495 66.89948 31.39170 29.95010       54.29887 
1 1 1 -9  2   27 o 97.03487 30.27923 275.2846       155.7156 161.3564       483.5728 288.4646       164.4763 99.13604 45.37744 98.85857 31.15834 0.2774734      55.04502 
1 1 1 -9  2   28 o 131.3500 24.25738 482.4124       146.7188 293.3984       261.2420 569.4995       177.3261 96.06763 38.13464 140.2481 27.42952 -44.18047      46.97477 
1 1 1 -9  2   29 o 88.15537 33.08867 242.1999       188.8002 183.1335       261.2490 306.7734       273.1565 84.30567 36.16946 95.05196 38.55493 -10.74629      52.86504 
1 1 1 -9  2   30 o 101.2911 28.92964 328.2558       147.0436 499.8561       277.4742 261.2464       173.3929 109.5077 40.30042 88.40299 31.96060 21.10475       51.43544 
1 1 1 -9  2   31 o 51.89429 24.35653 -63.48285      153.1723 264.4926       556.7875 -90.33631      159.3195 85.33839 41.65601 51.11972 24.24764 34.21868       48.19928 
1 1 1 -9  3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  3   3  o 180.2776 6.955081 779.4031       59.83245 786.9373       84.51447 771.8328       84.71762 180.8618 9.810812 179.0982 9.932960 1.763596       13.96122 
1 1 1 -9  3   4  o 143.0543 10.90272 494.2147       74.00484 0.000000       0.000000 494.2147       74.00484 ?        ?        143.0543 10.90272 0.000000       10.90272 
1 1 1 -9  3   5  f 496.4138 7.505380 5904.087       178.1250 5941.101       252.2156 5867.255       251.5992 497.4051 10.60604 494.2956 10.64668 3.109528       15.02797 
1 1 1 -9  3   6  o 65.79519 15.78738 108.7423       49.02514 134.7467       74.75957 89.12215       64.93739 73.36392 20.51709 61.21477 19.61175 12.14915       28.38260 
1 1 1 -9  3   7  o 336.1063 9.289890 2713.156       149.1347 2715.706       171.7131 2705.330       300.8754 336.0066 10.70290 333.1604 18.96806 2.846161       21.77934 
1 1 1 -9  3   8  o 448.6342 7.910260 4826.122       169.6647 4840.287       243.4899 4812.754       236.5450 448.4186 11.36683 447.3572 11.05989 1.061371       15.85957 
1 1 1 -9  3   9  o 416.0218 8.204229 4151.963       163.1782 4133.513       236.5473 4168.714       225.3942 414.1024 11.96072 416.0372 11.34247 -1.934784      16.48364 
1 1 1 -9  3   10 o 89.43382 20.58761 203.3660       86.20297 93.20802       138.2347 273.4625       110.2700 72.87171 28.08249 103.4937 22.89368 -30.62199      36.23185 
1 1 1 -9  3   11 o 82.84170 16.48041 172.4702       62.97436 244.9779       101.1487 126.5746       80.47364 97.90330 22.13173 71.41497 21.67566 26.48833       30.97818 
1 1 1 -9  3   12 o 141.7863 12.88034 489.8122       86.35932 447.3188       132.8106 520.9409       113.6718 133.1675 21.59994 145.3688 16.65629 -12.20135      27.27617 
1 1 1 -9  3   13 o 331.3432 13.79612 2665.093       218.0681 2894.143       315.3731 2455.252       301.8603 342.8383 19.31914 315.2949 20.13053 27.54340       27.90102 
1 1 1 -9  3   14 o 86.15482 20.06349 189.8485       81.09408 388.3127       137.9438 85.03603       100.2461 122.7834 24.35947 65.09000 24.17450 57.69337       34.31894 
1 1 1 -9  3   15 o 86.54414 25.93280 191.7415       115.7207 189.7373       290.1413 192.1207       126.1921 100.6752 40.11510 87.03711 27.27276 13.63805       48.50799 
1 1 1 -9  3   16 o 222.5349 15.76186 1214.282       166.6075 1213.969       239.7706 1214.573       231.6749 219.3584 23.21488 219.8266 22.35463 -0.4682617     32.22824 
1 1 1 -9  3   17 o 267.9902 15.38759 1758.544       196.3218 1733.082       325.7400 1773.069       246.0259 260.0715 26.57109 267.2562 19.38686 -7.184692      32.89184 
1 1 1 -9  3   18 o 242.8484 15.08645 1445.928       174.2934 1460.947       250.9341 1431.929       242.2703 240.7630 22.04465 238.6608 21.46195 2.102234       30.76657 
1 1 1 -9  3   19 o 76.08701 25.04670 143.9692       105.5172 276.7263       179.0040 73.27559       130.6243 101.8300 32.55470 67.65447 26.92988 34.17554       42.24958 
1 1 1 -9  3   20 o 227.4459 16.71314 1280.885       180.4684 945.3506       328.8286 1425.513       215.8870 181.7972 39.00201 238.7880 19.06894 -56.99077      43.41407 
1 1 1 -9  3   21 o 310.8713 15.02001 2374.116       222.5728 2891.511       368.9404 2078.072       279.0768 337.1914 23.02421 287.5105 20.43628 49.68091       30.78565 
1 1 1 -9  3   22 o 105.5675 34.20270 306.6824       197.1397 413.0550       343.4812 254.4286       240.7392 120.3920 44.74161 100.3832 37.42767 20.00888       58.33217 
1 1 1 -9  3   23 o 233.4849 17.45398 1365.839       193.4228 2073.007       380.4461 1119.333       224.6190 277.3187 29.12929 207.7763 22.99665 69.54242       37.11282 
1 1 1 -9  3   24 o 64.43652 26.94963 47.09478       138.9752 -590.1299      367.3846 153.5076       150.1315 65.79867 32.45997 79.79880 29.59416 -14.00013      43.92566 
1 1 1 -9  3   25 o 95.60635 35.71373 249.8562       219.4001 473.3851       392.1416 148.0007       264.7088 119.7099 46.96811 88.26966 37.07373 31.44020       59.83698 
1 1 1 -9  3   26 o 93.38680 30.37196 249.6033       155.3692 -12.60176      399.7094 296.2716       168.6300 87.69022 40.54177 100.5523 31.52959 -12.86211      51.35904 
1 1 1 -9  3   27 o 102.6464 30.79259 320.2222       163.0875 481.0153       420.7957 291.8002       176.9151 111.6940 46.81663 97.44721 32.44507 14.24682       56.96033 
1 1 1 -9  3   28 o 74.97997 31.41717 122.5199       189.3993 158.0975       254.9659 78.71623       282.9103 82.43999 35.55445 78.68518 35.49762 3.754807       50.24142 
1 1 1 -9  3   29 o 220.0033 18.28861 1284.969       190.6237 1389.172       317.4230 1226.191       238.3993 207.6647 33.08063 206.9853 24.56991 0.6794434      41.20689 
1 1 1 -9  3   30 o 71.82421 28.69948 147.8986       148.9210 -63.33359      276.7313 234.0081       176.6866 66.16383 31.54585 82.94670 31.80449 -16.78287      44.79583 
1 1 1 -9  4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  4   3  o 156.8196 7.128359 590.4028       53.30416 0.000000       0.000000 590.4028       53.30416 ?        ?        156.8196 7.128359 0.000000       7.128359 
1 1 1 -9  4   4  o 362.5331 7.175645 3149.265       124.3704 2985.199       173.3339 3323.363       178.5548 352.3706 10.30011 371.8593 10.05271 -19.48865      14.39268 
1 1 1 -9  4   5  o 95.79593 12.41937 224.6183       55.54195 250.0986       77.61051 197.8684       79.52066 100.3039 16.77632 88.52045 19.33274 11.78348       25.59687 
1 1 1 -9  4   6  o 325.1009 7.493412 2533.746       116.4679 2463.932       162.2085 2608.039       167.3318 319.9553 10.61886 329.1829 10.64644 -9.227600      15.03685 
1 1 1 -9  4   7  o 310.0931 7.914888 2307.915       117.2439 2275.438       165.7843 2340.412       165.8314 307.2570 11.30510 311.6538 11.14772 -4.396851      15.87693 
1 1 1 -9  4   8  o 40.03328 15.82348 21.72004       44.79942 138.8438       88.87746 -18.17430      51.87102 74.81110 22.79419 34.94893 15.52269 39.86217       27.57768 
1 1 1 -9  4   9  o 281.7328 10.11759 1911.919       136.0559 1948.606       169.3289 1845.084       228.5484 283.8596 12.50797 274.6850 17.49435 9.174622       21.50585 
1 1 1 -9  4   10 o 183.2130 11.01997 811.7769       96.07999 834.0430       137.6626 790.6294       134.1604 184.6262 15.74617 179.7157 15.77443 4.910492       22.28843 
1 1 1 -9  4   11 o 84.50908 18.47410 181.3561       72.55343 191.2230       89.81633 162.8259       123.0846 86.34440 21.76711 81.76801 27.05731 4.576385       34.72615 
1 1 1 -9  4   12 o 184.7204 12.31337 828.5129       108.1218 934.3787       150.4271 715.3656       155.5144 195.1303 16.27275 169.5447 19.54287 25.58565       25.43081 
1 1 1 -9  4   13 o 377.8449 11.26927 3449.790       203.3443 3598.813       388.2524 3393.460       238.7015 380.6660 21.41989 373.9263 13.37398 6.739716       25.25223 
1 1 1 -9  4   14 o 139.5639 16.23898 481.5965       106.3315 602.8288       203.5213 436.0804       124.7049 151.5064 29.15586 131.4198 20.51806 20.08661       35.65186 
1 1 1 -9  4   15 f 178.1158 18.54160 788.6635       155.5827 922.8524       290.3233 734.6008       184.2775 185.2064 34.04227 169.9860 23.28666 15.22046       41.24494 
1 1 1 -9  4   16 o 183.4093 19.25399 839.4601       166.3161 847.8762       211.6373 825.8695       268.9407 181.8043 25.01103 175.0010 33.36198 6.803238       41.69621 
1 1 1 -9  4   17 o 245.6430 15.01494 1479.617       175.4917 1743.661       258.2625 1253.117       239.1980 263.8826 20.63513 222.3232 22.82819 41.55934       30.77231 
1 1 1 -9  4   18 o 83.92578 29.25043 172.3987       144.0518 497.9113       309.4585 82.35260       162.7612 130.8488 42.88387 73.69397 29.80849 57.15486       52.22617 
1 1 1 -9  4   19 o 196.0041 19.27465 964.5016       178.2837 1171.002       229.9016 652.9818       282.3741 214.1828 22.80180 150.2108 38.98564 63.97202       45.16417 
1 1 1 -9  4   20 o 138.6108 21.66481 493.4892       138.8725 271.5292       212.1084 660.0220       183.7260 101.5276 35.48652 159.0609 24.98261 -57.53333      43.39844 
1 1 1 -9  4   21 f 75.92268 29.43743 115.2203       152.5795 33.14695       347.2828 134.8526       169.8509 91.13080 40.33661 80.46336 31.09661 10.66744       50.93173 
1 1 1 -9  4   22 o 288.0261 16.51416 2064.737       226.4502 2517.387       331.3011 1667.824       310.2338 313.1889 22.27158 251.3670 26.19910 61.82195       34.38628 
1 1 1 -9  4   23 o 110.3909 26.14677 333.4908       135.8553 432.1708       235.3583 284.1823       166.3703 119.8471 37.19864 100.3786 31.29422 19.46843       48.61139 
1 1 1 -9  4   24 o 237.4986 18.62402 1436.436       209.7768 1642.217       300.5492 1240.949       292.9356 247.3489 25.79399 210.9877 29.87532 36.36125       39.46980 
1 1 1 -9  4   25 o 82.07069 28.76208 179.9837       139.3960 361.4881       254.3301 102.0465       166.6581 107.9479 38.74874 73.74082 30.03937 34.20704       49.02886 
1 1 1 -9  4   26 o 46.52351 22.44851 -184.2014      149.8396 327.2261       433.1239 -253.7315      159.7007 103.3209 45.41675 45.03854 22.05350 58.28238       50.48800 
1 1 1 -9  4   27 o 247.0996 22.74757 1673.553       265.7158 2130.252       480.6107 1472.501       318.8843 244.4900 42.66853 220.1963 31.16070 24.29364       52.83553 
1 1 1 -9  4   28 o 59.29689 26.89858 -13.03557      165.1219 371.9455       473.5183 -66.33016      176.1808 97.87173 44.83788 57.07458 26.56835 40.79714       52.11825 
1 1 1 -9  4   29 o 87.78075 34.50664 275.9802       212.0099 224.0783       296.5856 330.2149       303.1775 83.53652 37.10948 90.88870 38.97832 -7.352180      53.81843 
1 1 1 -9  4   30 o 47.87346 22.98459 -121.1805      152.5458 -219.2632      294.5075 -85.21696      178.3329 60.26544 29.59899 53.71514 25.52918 6.550297       39.08758 
1 1 1 -9  5   1  o 193.3282 10.20598 900.6594       93.99765 0.000000       0.000000 900.6594       93.99765 ?        ?        193.3282 10.20598 0.000000       10.20598 
1 1 1 -9  5   2  o 324.8075 9.758082 2536.741       151.3583 0.000000       0.000000 2536.741       151.3583 ?        ?        324.8075 9.758082 0.000000       9.758082 
1 1 1 -9  5   3  o 324.4954 7.003003 2523.750       108.6429 0.000000       0.000000 2523.750       108.6429 ?        ?        324.4954 7.003003 0.000000       7.003003 
1 1 1 -9  5   4  o 38.80593 12.16885 35.91258       25.11833 0.000000       0.000000 35.91258       25.11833 ?        ?        38.80593 12.16885 0.000000       12.16885 
1 1 1 -9  5   5  o 257.1841 7.491530 1587.688       92.01528 1397.807       122.0153 1838.072       140.1121 240.7861 10.62540 276.1759 10.63147 -35.38988      15.03088 
1 1 1 -9  5   6  o 155.2924 9.472148 581.7935       69.99006 560.8398       90.24284 613.4233       110.8743 151.9333 12.53513 158.4577 14.80701 -6.524307      19.40044 
1 1 1 -9  5   7  o 95.71635 13.69268 225.9912       60.87585 213.0949       74.39782 252.1190       105.8958 92.04322 17.54706 99.14610 22.81479 -7.102875      28.78218 
1 1 1 -9  5   8  o 97.27695 15.22009 235.0408       68.46540 148.0116       84.59255 400.3109       116.5726 76.47240 21.97481 126.2671 19.97443 -49.79468      29.69629 
1 1 1 -9  5   9  o 92.57454 19.07549 217.5300       81.61624 266.6238       106.4887 147.6325       127.0635 101.8964 22.46482 79.43569 27.48361 22.46073       35.49672 
1 1 1 -9  5   10 o 90.45428 17.16512 206.1694       71.51616 224.0068       116.9413 195.5126       90.38936 92.99479 25.52971 87.21526 21.75215 5.779533       33.53985 
1 1 1 -9  5   11 o 263.7852 10.33320 1679.822       130.0626 1805.187       178.9904 1539.575       189.3164 272.4384 13.78692 250.8355 15.86801 21.60289       21.02077 
1 1 1 -9  5   12 o 172.6728 13.14939 726.7622       107.7357 606.8056       163.2619 819.2915       143.3879 154.6622 22.75957 182.3836 16.62705 -27.72139      28.18611 
1 1 1 -9  5   13 o 301.8973 10.82845 2203.356       156.0378 2337.750       219.4409 2065.907       221.9215 309.4610 14.87569 290.3733 16.04822 19.08771       21.88222 
1 1 1 -9  5   14 f 200.0067 12.77749 974.1140       121.5406 960.5555       171.5099 987.7916       172.2612 196.6691 18.45651 199.5373 18.25958 -2.868164      25.96257 
1 1 1 -9  5   15 o 198.9606 15.81392 974.4763       149.1865 1005.496       194.1462 929.7502       233.1251 200.1610 20.58102 189.5451 26.44468 10.61592       33.50969 
1 1 1 -9  5   16 o 65.67974 24.30174 90.39682       101.1303 363.6853       151.4009 -129.7719      135.8925 116.7657 27.56606 48.51490 22.82407 68.25084       35.78863 
1 1 1 -9  5   17 o 191.4026 17.64920 912.3029       159.6855 864.4628       200.1442 996.0970       264.8831 183.5925 23.32840 193.5337 29.56432 -9.941177      37.65984 
1 1 1 -9  5   18 o 60.86946 24.73921 48.58619       112.7285 66.03000       159.0795 30.99123       159.7672 70.98582 29.18198 67.25827 28.55250 3.727547       40.82687 
1 1 1 -9  5   19 o 166.3447 21.49012 706.5531       166.9159 928.3709       307.8853 614.2205       198.6408 181.0757 36.82043 151.3975 28.48884 29.67822       46.55489 
1 1 1 -9  5   20 o 220.5686 18.84457 1222.192       196.8168 1220.219       254.3956 1225.133       310.6346 216.5011 25.03863 212.0734 31.60110 4.427689       40.31826 
1 1 1 -9  5   21 o 212.8416 19.52066 1149.688       196.4266 1347.339       363.4673 1068.148       233.4541 216.3713 36.42916 201.6557 24.73213 14.71561       44.03138 
1 1 1 -9  5   22 o 171.9287 24.50701 784.9455       195.7449 695.8261       245.1532 941.6983       325.1315 154.7926 34.05356 175.4057 39.69978 -20.61317      52.30409 
1 1 1 -9  5   23 o 121.5385 31.41771 428.5397       183.8805 1107.030       391.8627 236.9553       208.2295 182.1685 45.20819 93.47701 34.81750 88.69151       57.06171 
1 1 1 -9  5   24 o 215.9198 22.03063 1226.201       224.2365 1434.499       292.8479 930.9852       348.6339 228.2883 27.37728 166.6938 43.34654 61.59453       51.26830 
1 1 1 -9  5   25 o 199.6110 20.02797 1046.226       188.5509 975.5666       291.9656 1096.777       246.9534 176.7294 35.78408 197.8007 26.80338 -21.07126      44.70930 
1 1 1 -9  5   26 f 125.9288 34.42785 519.7624       213.1723 479.1388       280.6581 575.1547       327.7277 113.2527 40.69858 119.5696 43.83233 -6.316925      59.81344 
1 1 1 -9  5   27 o 72.59473 29.07275 133.2591       153.1715 578.3342       279.9378 -56.93085      182.9948 121.5365 40.81902 58.71380 27.24460 62.82271       49.07606 
1 1 1 -9  5   28 o 70.22024 31.20577 82.85955       209.9249 137.6884       289.0668 21.67562       305.3601 78.53227 35.61058 73.21570 34.37202 5.316574       49.49292 
1 1 1 -9  5   29 o 63.63681 28.37423 62.32082       175.0404 78.93552       507.6826 60.07928       186.4745 78.73920 38.71008 64.43360 28.96526 14.30560       48.34725 
1 1 1 -9  6   1  o 365.1520 7.374727 3198.268       128.7443 0.000000       0.000000 3198.268       128.7443 ?        ?        365.1520 7.374727 0.000000       7.374727 
1 1 1 -9  6   2  o 268.9729 7.570561 1737.157       97.25519 0.000000       0.000000 1737.157       97.25519 ?        ?        268.9729 7.570561 0.000000       7.570561 
1 1 1 -9  6   3  o 251.7999 7.599887 1522.792       91.38474 0.000000       0.000000 1522.792       91.38474 ?        ?        251.7999 7.599887 0.000000       7.599887 
1 1 1 -9  6   4  o 72.28391 24.39977 123.0328       100.0207 0.000000       0.000000 123.0328       100.0207 ?        ?        72.28391 24.39977 0.000000       24.39977 
1 1 1 -9  6   5  o 215.2654 8.100069 1114.414       83.21390 0.000000       0.000000 1114.414       83.21390 ?        ?        215.2654 8.100069 0.000000       8.100069 
1 1 1 -9  6   6  o 307.9777 8.126945 2279.895       119.5571 2312.389       157.7776 2236.075       183.2190 309.5500 10.67718 303.8162 12.64157 5.733795       16.54725 
1 1 1 -9  6   7  f 285.2614 9.125010 1959.445       124.2870 1953.726       145.8161 1974.638       237.6583 284.4464 10.74182 283.5857 17.61611 0.8606567      20.63284 
1 1 1 -9  6   8  o 63.19152 16.48626 101.0412       50.32200 158.7589       68.40496 32.96323       74.29096 78.92995 18.45874 50.55191 20.24647 28.37804       27.39789 
1 1 1 -9  6   9  o 180.7325 10.25974 789.8848       88.28632 815.8248       116.4457 754.8139       135.3980 182.9543 13.40596 175.1121 16.36233 7.842255       21.15291 
1 1 1 -9  6   10 o 144.6739 12.31718 510.1275       84.38483 660.9654       114.6092 331.5437       124.7054 164.1844 14.75820 113.2287 23.79397 50.95570       27.99924 
1 1 1 -9  6   11 o 181.4837 12.87630 802.4736       110.9961 772.1731       140.4960 852.7913       181.0503 176.8328 16.82088 184.3718 20.90853 -7.538956      26.83484 
1 1 1 -9  6   12 o 43.11052 19.30945 -31.89207      82.04628 45.36077       94.14123 -275.9276      167.3205 57.04435 22.81013 47.35415 23.05269 9.690205       32.43037 
1 1 1 -9  6   13 o 223.1163 11.76509 1208.802       125.0539 1473.500       187.3806 996.2272       167.9211 244.7965 16.10011 200.4799 17.70133 44.31659       23.92803 
1 1 1 -9  6   14 o 228.4636 13.23177 1273.864       143.9068 1267.099       204.5405 1280.495       202.5046 225.3499 19.16682 226.6972 18.85498 -1.347214      26.88638 
1 1 1 -9  6   15 o 89.45419 36.91176 125.2161       255.7703 0.000000       0.000000 125.2161       255.7703 ?        ?        89.45419 36.91176 0.000000       36.91176 
1 1 1 -9  6   16 o 298.9944 13.95988 2188.713       198.9998 2338.073       279.4219 2034.985       283.4783 305.8748 19.20462 284.0663 21.02231 21.80853       28.47376 
1 1 1 -9  6   17 f 50.12590 22.74136 -54.52478      118.0734 60.15257       246.2554 -88.75908      134.5481 82.27199 35.20274 51.05939 23.57627 31.21260       42.36831 
1 1 1 -9  6   18 o 266.5973 15.75644 1755.509       199.9315 1759.188       294.6914 1752.371       272.1442 261.5859 23.82495 262.5022 21.88381 -0.9162598     32.35011 
1 1 1 -9  6   19 o 101.2753 27.42882 278.5929       136.0567 413.5227       276.7640 235.5928       156.2394 118.8450 40.58204 93.70927 30.45543 25.13570       50.73889 
1 1 1 -9  6   20 o 366.0814 14.46292 3309.084       252.6310 3618.196       407.3872 3115.938       322.0267 374.0352 22.89136 350.9220 19.26828 23.11322       29.92125 
1 1 1 -9  6   21 o 219.4781 15.94178 1205.059       166.1367 1157.145       243.1746 1247.000       227.5123 208.6447 24.86708 218.9861 22.03004 -10.34143      33.22190 
1 1 1 -9  6   22 o 162.0819 30.43830 745.6537       227.2058 990.9555       333.3895 532.9221       310.4687 177.3440 40.24656 126.4699 42.98597 50.87408       58.88615 
1 1 1 -9  6   23 o 63.14442 26.82396 40.30008       141.1690 -42.35130      200.8152 121.0495       198.4912 65.17066 29.60277 78.89852 32.53265 -13.72786      43.98520 
1 1 1 -9  6   24 o 169.8445 21.20332 768.8030       168.4325 968.5635       243.7812 586.3448       232.9845 183.5880 28.71478 135.5553 35.52673 48.03268       45.68027 
1 1 1 -9  6   25 o 78.07692 31.60652 154.8994       183.1536 -36.99984      379.3377 213.2338       209.1469 79.71909 37.69525 85.63068 34.07904 -5.911598      50.81646 
1 1 1 -9  6   26 o 81.80054 30.71479 201.7824       162.7139 374.7080       239.6873 53.97085       221.5999 101.3488 37.42829 70.83231 31.72952 30.51647       49.06770 
1 1 1 -9  6   27 o 68.21553 30.51457 62.33629       204.1828 242.1076       245.3767 -342.3685      368.1648 84.87569 35.67409 65.02386 32.15462 19.85183       48.02666 
1 1 1 -9  6   28 o 71.05894 29.85049 143.7561       171.6566 46.66560       264.2451 214.6409       225.7849 69.14540 32.30345 78.98026 33.74887 -9.834854      46.71723 
1 1 1 -9  7   1  o 297.8766 7.806476 2132.136       111.0773 0.000000       0.000000 2132.136       111.0773 ?        ?        297.8766 7.806476 0.000000       7.806476 
1 1 1 -9  7   2  o 182.6296 8.201214 802.9351       71.42469 0.000000       0.000000 802.9351       71.42469 ?        ?        182.6296 8.201214 0.000000       8.201214 
1 1 1 -9  7   3  o 106.6013 9.432267 275.5866       47.57590 0.000000       0.000000 275.5866       47.57590 ?        ?        106.6013 9.432267 0.000000       9.432267 
1 1 1 -9  7   4  o 130.6961 9.145514 412.9512       56.78448 0.000000       0.000000 412.9512       56.78448 ?        ?        130.6961 9.145514 0.000000       9.145514 
1 1 1 -9  7   5  o 112.6928 9.433180 307.8151       50.35737 0.000000       0.000000 307.8151       50.35737 ?        ?        112.6928 9.433180 0.000000       9.433180 
1 1 1 -9  7   6  o 281.9701 7.686522 1911.078       103.5228 0.000000       0.000000 1911.078       103.5228 ?        ?        281.9701 7.686522 0.000000       7.686522 
1 1 1 -9  7   7  o 275.0266 6.622228 1814.737       87.07375 1668.162       142.9994 1901.106       109.7698 262.5032 11.42173 281.1100 8.176359 -18.60687      14.04666 
1 1 1 -9  7   8  o 84.22628 17.42357 180.0569       67.84442 154.2231       74.69783 301.7780       162.1425 77.54761 20.01341 106.5745 30.35911 -29.02687      36.36223 
1 1 1 -9  7   9  o 208.5522 10.59734 1052.810       105.3160 994.0489       131.2747 1158.931       176.4146 201.7901 13.68835 216.7101 17.16752 -14.92001      21.95665 
1 1 1 -9  7   10 o 154.7017 13.00033 584.9512       95.26316 668.1924       118.2637 431.1369       160.7610 164.7840 15.18221 127.9088 27.13077 36.87522       31.08984 
1 1 1 -9  7   11 o 148.8899 13.19153 542.8921       92.93004 596.5958       110.4075 412.3893       172.1102 155.5996 15.02844 123.9576 29.47531 31.64201       33.08546 
1 1 1 -9  7   12 o 230.6829 11.26345 1291.625       123.8455 1221.736       157.6339 1404.332       200.1808 223.0876 14.86450 237.9648 17.72275 -14.87712      23.13114 
1 1 1 -9  7   13 o 100.7104 23.77189 266.7049       112.6062 364.2568       138.0304 72.58570       194.7113 117.4535 25.32697 77.07270 32.04049 40.38083       40.84175 
1 1 1 -9  7   14 o 194.3020 16.05105 934.6162       147.7751 1123.671       205.9581 734.0217       212.1506 210.8716 20.69553 166.5048 27.61797 44.36681       34.51170 
1 1 1 -9  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  7   16 o 95.05260 33.34833 233.4001       187.4287 272.0456       241.2789 174.5938       297.6332 102.5486 37.60675 96.82598 39.87209 5.722595       54.80923 
1 1 1 -9  7   17 o 291.2693 16.14099 2100.778       223.8885 2265.479       299.0352 1890.684       337.7380 298.9354 21.05836 268.4155 26.67115 30.51996       33.98241 
1 1 1 -9  7   18 o 122.6442 24.09512 399.4921       136.2394 360.9089       189.9256 440.3902       195.5402 112.5996 33.09453 124.4776 32.50963 -11.87806      46.39099 
1 1 1 -9  7   19 o 92.02341 26.96303 232.2868       126.2366 60.55086       192.9232 360.8703       166.9346 73.72363 31.33942 112.7946 30.31081 -39.07100      43.59936 
1 1 1 -9  7   20 o 71.13990 28.44934 96.04263       146.4580 3.916677       173.8075 321.6470       271.9890 65.34884 28.74626 105.0351 39.65200 -39.68626      48.97580 
1 1 1 -9  7   21 o 135.0062 21.54838 481.7176       134.4109 474.5433       196.5721 488.0174       184.2018 126.8403 32.32597 130.2686 30.17039 -3.428345      44.21788 
1 1 1 -9  7   22 o 104.7042 29.89445 320.8175       157.0408 209.5685       321.0547 355.8060       180.0502 94.52046 40.31249 108.8307 32.28426 -14.31019      51.64659 
1 1 1 -9  7   23 o 64.59064 28.25969 29.85828       165.9413 46.65229       200.9298 -6.168424      294.2927 70.45969 30.95410 76.39729 35.12819 -5.937599      46.82036 
1 1 1 -9  7   24 o 76.33618 30.27215 152.6955       164.4688 413.3855       353.6521 80.75432       185.7816 102.9827 43.02491 70.41387 30.35866 32.56888       52.65730 
1 1 1 -9  7   25 o 222.9138 21.26794 1363.899       223.9136 1449.430       284.0141 1223.423       363.9825 220.8081 27.49819 177.8747 43.23024 42.93341       51.23479 
1 1 1 -9  7   26 o 96.99705 34.49650 346.2937       201.0986 270.1342       386.9595 374.4732       235.3806 87.46325 40.23992 97.74560 36.89000 -10.28235      54.59051 
1 1 1 -9  7   27 o 114.1171 31.28284 460.0437       175.7315 610.7034       253.4815 320.6241       243.8426 118.5307 38.80997 87.71930 36.10250 30.81142       53.00570 
1 1 1 -9  8   1  o 253.6239 7.848236 1546.973       95.04903 0.000000       0.000000 1546.973       95.04903 ?        ?        253.6239 7.848236 0.000000       7.848236 
1 1 1 -9  8   2  o 95.07746 11.35939 221.4297       50.61419 0.000000       0.000000 221.4297       50.61419 ?        ?        95.07746 11.35939 0.000000       11.35939 
1 1 1 -9  8   3  o 149.7870 9.053192 542.0223       64.52855 0.000000       0.000000 542.0223       64.52855 ?        ?        149.7870 9.053192 0.000000       9.053192 
1 1 1 -9  8   4  o 110.0043 10.36140 294.4966       53.85065 0.000000       0.000000 294.4966       53.85065 ?        ?        110.0043 10.36140 0.000000       10.36140 
1 1 1 -9  8   5  o 262.6910 8.089008 1660.775       101.4685 0.000000       0.000000 1660.775       101.4685 ?        ?        262.6910 8.089008 0.000000       8.089008 
1 1 1 -9  8   6  o 263.8578 8.372541 1676.593       105.4838 0.000000       0.000000 1676.593       105.4838 ?        ?        263.8578 8.372541 0.000000       8.372541 
1 1 1 -9  8   7  o 191.6867 8.545319 886.0941       78.11519 0.000000       0.000000 886.0941       78.11519 ?        ?        191.6867 8.545319 0.000000       8.545319 
1 1 1 -9  8   8  o 191.6075 7.244042 883.3973       66.23981 949.1148       114.4429 850.2897       81.22919 197.4604 12.18204 187.6246 9.082513 9.835861       15.19520 
1 1 1 -9  8   9  o 315.1905 9.162674 2397.225       137.9248 2414.866       171.7506 2365.188       231.4534 315.5413 11.40377 310.3088 15.65185 5.232452       19.36560 
1 1 1 -9  8   10 o 115.7305 13.08701 329.9444       71.14067 361.5369       83.79352 248.3831       134.6358 120.7251 14.82907 96.60027 27.71174 24.12483       31.42995 
1 1 1 -9  8   11 o 136.3942 16.33367 463.7979       104.3939 591.0329       142.9962 318.6000       152.7571 152.7235 20.06962 108.5252 28.92031 44.19828       35.20190 
1 1 1 -9  8   12 o 212.3301 13.26919 1103.664       134.0257 1041.740       163.6916 1229.606       233.4446 204.7873 16.86862 219.4749 22.56929 -14.68756      28.17664 
1 1 1 -9  8   13 f 68.85668 25.13688 105.2780       107.6122 72.21230       128.2857 183.7948       197.6836 66.79417 26.65456 89.36517 33.78930 -22.57099      43.03699 
1 1 1 -9  8   14 o 155.1390 23.87402 625.9524       171.4051 697.2900       216.9745 507.5295       279.5551 160.8338 29.29683 131.0717 40.51752 29.76216       49.99974 
1 1 1 -9  8   15 o 87.35983 27.99245 200.9556       132.2913 256.1809       150.6563 14.96047       276.4835 97.18478 29.69012 81.96317 36.14756 15.22162       46.77766 
1 1 1 -9  8   16 o 100.5404 22.28355 267.0684       104.2948 228.3189       111.0682 556.0147       303.2950 92.22948 24.69738 133.9812 42.32209 -41.75170      49.00122 
1 1 1 -9  8   17 o 127.4161 25.65468 439.5462       150.8659 565.0714       220.4459 328.9630       206.9099 139.6599 33.45582 106.5513 35.07346 33.10867       48.47101 
1 1 1 -9  8   18 o 78.36581 26.30542 160.9714       116.2604 0.4992844E-04  142.4742 481.7658       201.1293 59.70857 26.15294 128.5352 32.66665 -68.82660      41.84598 
1 1 1 -9  8   19 f 274.6319 15.43740 1886.643       201.8746 1797.476       269.3820 2000.866       304.8918 262.5154 21.65620 275.1570 23.39871 -12.64157      31.88245 
1 1 1 -9  8   20 o 150.2874 26.90114 627.0710       186.1890 443.7350       217.1901 1135.307       361.6170 119.7820 35.43899 186.9468 41.53833 -67.16479      54.60178 
1 1 1 -9  8   21 o 156.0041 26.33535 681.0560       189.4336 719.0097       229.0418 598.8859       337.0110 155.2330 31.92830 126.9409 44.70293 28.29205       54.93422 
1 1 1 -9  8   22 o 178.5183 19.62126 845.4030       164.7052 1040.263       249.3094 694.4887       219.4029 188.6320 28.53564 150.5862 31.48983 38.04587       42.49579 
1 1 1 -9  8   23 o 62.21438 27.72966 17.82947       167.0163 -311.0764      390.4668 91.48005       184.7721 69.88548 34.27451 70.80579 30.39859 -0.9203186     45.81284 
1 1 1 -9  8   24 o 136.1336 31.61710 600.6879       201.8262 797.6409       256.4083 279.9282       327.2206 151.6543 35.92114 90.15783 39.55809 61.49642       53.43380 
1 1 1 -9  8   25 o 71.66695 28.46037 148.1298       145.5644 234.7511       217.9426 78.36850       195.5857 82.55688 34.07009 67.78677 30.12293 14.77010       45.47705 
1 1 1 -9  8   26 o 101.8246 31.45766 379.9192       168.5431 587.2894       235.2739 161.3156       241.5623 118.0667 37.27277 73.99752 33.13909 44.06917       49.87443 
1 1 1 -9  9   1  o 147.3735 10.15836 526.7155       71.13548 0.000000       0.000000 526.7155       71.13548 ?        ?        147.3735 10.15836 0.000000       10.15836 
1 1 1 -9  9   2  o 44.26499 15.08930 44.40577       38.26014 0.000000       0.000000 44.40577       38.26014 ?        ?        44.26499 15.08930 0.000000       15.08930 
1 1 1 -9  9   3  o 228.1304 8.235311 1254.010       89.67229 0.000000       0.000000 1254.010       89.67229 ?        ?        228.1304 8.235311 0.000000       8.235311 
1 1 1 -9  9   4  o 105.5935 9.972163 271.5305       49.74623 0.000000       0.000000 271.5305       49.74623 ?        ?        105.5935 9.972163 0.000000       9.972163 
1 1 1 -9  9   5  f 121.6521 10.02540 359.7974       57.79117 0.000000       0.000000 359.7974       57.79117 ?        ?        121.6521 10.02540 0.000000       10.02540 
1 1 1 -9  9   6  o 138.1777 9.950910 463.5488       65.29660 0.000000       0.000000 463.5488       65.29660 ?        ?        138.1777 9.950910 0.000000       9.950910 
1 1 1 -9  9   7  o 85.55616 12.13441 181.1467       48.24308 0.000000       0.000000 181.1467       48.24308 ?        ?        85.55616 12.13441 0.000000       12.13441 
1 1 1 -9  9   8  o 78.95841 12.83193 155.4631       46.77779 0.000000       0.000000 155.4631       46.77779 ?        ?        78.95841 12.83193 0.000000       12.83193 
1 1 1 -9  9   9  f 263.2088 9.735501 1676.452       122.2976 1698.839       153.5995 1637.681       202.1385 264.0526 12.20018 257.2279 16.52441 6.824615       20.54022 
1 1 1 -9  9   10 o 102.3320 16.18258 263.6923       76.54160 352.1611       103.0159 154.6593       114.3636 117.6131 18.96556 78.40948 26.08562 39.20363       32.25139 
1 1 1 -9  9   11 o 347.7629 9.564664 2924.745       158.8725 2878.777       195.4569 3014.251       272.7394 343.9292 11.90499 349.1906 16.38285 -5.261414      20.25158 
1 1 1 -9  9   12 o 68.95272 24.39727 111.2623       100.4743 158.3105       109.5411 -138.1683      252.2205 78.64034 25.49673 69.15190 32.05257 9.488434       40.95669 
1 1 1 -9  9   13 o 206.5537 13.43021 1048.265       131.9056 1181.623       172.6542 861.3011       204.4313 217.7744 16.71062 181.7431 24.12292 36.03130       29.34553 
1 1 1 -9  9   14 o 161.5652 18.93910 663.8042       143.5166 663.8042       143.5166 0.000000       0.000000 161.5652 18.93910 ?        ?        0.000000       18.93910 
1 1 1 -9  9   15 o 117.8774 22.81116 369.2242       123.9064 293.4953       167.7951 460.0393       183.7501 101.7237 31.38106 127.3811 30.56401 -25.65736      43.80559 
1 1 1 -9  9   16 o 311.5107 15.42508 2418.954       229.0108 2353.749       318.8039 2488.474       329.1858 300.6282 22.34092 309.0419 22.43273 -8.413727      31.65982 
1 1 1 -9  9   17 o 147.7005 19.30282 564.3214       133.0463 432.8488       176.8676 735.6833       201.9241 122.4817 30.35817 163.7312 26.71617 -41.24950      40.43974 
1 1 1 -9  9   18 o 153.2341 16.12243 594.9038       116.3446 394.9266       140.6868 1027.543       206.9312 119.5757 25.39467 197.1301 22.35055 -77.55437      33.82952 
1 1 1 -9  9   19 o 86.77433 24.72962 210.2455       107.5622 243.4298       122.9959 102.3499       221.7816 92.55328 26.46640 78.48474 33.49024 14.06853       42.68568 
1 1 1 -9  9   20 o 61.98140 25.55732 64.55001       122.5003 190.5732       146.5347 -227.9212      223.2322 81.90257 29.41075 56.59974 27.33262 25.30283       40.15052 
1 1 1 -9  9   21 o 54.60984 24.89980 -33.32970      143.7766 -66.95988      155.4890 165.0058       377.6030 54.04496 25.09036 87.81853 40.15985 -33.77358      47.35335 
1 1 1 -9  9   22 o 115.5274 29.83416 422.1801       165.9229 490.0172       183.4851 117.8336       388.6431 123.4576 31.10527 83.99195 39.21862 39.46569       50.05634 
1 1 1 -9  9   23 o 142.9631 24.01089 594.6074       158.3000 544.4828       203.5517 671.3166       251.8102 125.7272 33.32904 133.4951 37.76865 -7.767906      50.37157 
1 1 1 -9  9   24 o 279.2192 18.87137 2144.895       250.4369 1969.406       390.5460 2267.450       326.3729 230.9276 36.59285 273.5729 25.23789 -42.64523      44.45208 
1 1 1 -9  9   25 o 80.02323 35.38640 259.3123       266.6573 300.5107       411.6125 229.5168       350.0449 81.33516 38.69290 78.38974 36.80106 2.945419       53.39905 
1 1 1 -9  10  1  o 115.4971 11.35005 326.3598       61.86385 0.000000       0.000000 326.3598       61.86385 ?        ?        115.4971 11.35005 0.000000       11.35005 
1 1 1 -9  10  2  o 136.3033 10.32605 451.8505       66.78915 0.000000       0.000000 451.8505       66.78915 ?        ?        136.3033 10.32605 0.000000       10.32605 
1 1 1 -9  10  3  o 131.2999 10.71614 420.0854       66.68388 0.000000       0.000000 420.0854       66.68388 ?        ?        131.2999 10.71614 0.000000       10.71614 
1 1 1 -9  10  4  o 96.06305 11.38239 226.8195       51.26089 0.000000       0.000000 226.8195       51.26089 ?        ?        96.06305 11.38239 0.000000       11.38239 
1 1 1 -9  10  5  o 185.1742 9.812573 830.9991       86.56028 0.000000       0.000000 830.9991       86.56028 ?        ?        185.1742 9.812573 0.000000       9.812573 
1 1 1 -9  10  6  o 83.29460 13.07581 172.9553       50.35752 0.000000       0.000000 172.9553       50.35752 ?        ?        83.29460 13.07581 0.000000       13.07581 
1 1 1 -9  10  7  o 102.2330 11.53930 256.8278       55.41553 0.000000       0.000000 256.8278       55.41553 ?        ?        102.2330 11.53930 0.000000       11.53930 
1 1 1 -9  10  8  o 105.7578 11.63672 274.8822       57.86597 0.000000       0.000000 274.8822       57.86597 ?        ?        105.7578 11.63672 0.000000       11.63672 
1 1 1 -9  10  9  o 372.3419 8.568702 3344.950       152.5335 0.000000       0.000000 3344.950       152.5335 ?        ?        372.3419 8.568702 0.000000       8.568702 
1 1 1 -9  10  10 o 193.2870 8.446073 903.2892       77.86029 902.0910       136.0739 903.8725       94.93766 190.8481 15.03481 192.8089 10.33698 -1.960861      18.24551 
1 1 1 -9  10  11 o 256.8325 7.991793 1592.933       98.01077 1372.454       200.9955 1661.713       112.2622 233.4873 18.14832 261.9790 8.976369 -28.49173      20.24689 
1 1 1 -9  10  12 o 187.6649 16.15592 882.1076       143.5420 792.7487       163.5233 1182.190       299.6617 175.8571 19.79295 205.6160 31.48429 -29.75887      37.18900 
1 1 1 -9  10  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  10  14 o 116.7140 17.39025 349.1568       94.07874 191.1470       113.6752 692.6672       167.6076 83.79215 25.82565 162.2106 22.19395 -78.41840      34.05196 
1 1 1 -9  10  15 o 78.34145 22.89441 165.4516       91.11681 121.7209       110.0258 260.9091       162.5572 70.50474 25.46342 95.41241 31.06912 -24.90768      40.17059 
1 1 1 -9  10  16 o 249.5426 14.14005 1551.689       168.0054 1304.642       221.6131 1885.546       257.6234 223.3596 20.99942 269.6929 20.12565 -46.33333      29.08638 
1 1 1 -9  10  17 o 70.60887 30.23763 64.11133       181.9674 314.9243       290.8942 -97.12715      233.2353 100.9259 40.18287 65.50373 30.51795 35.42214       50.45798 
1 1 1 -9  10  18 o 64.63951 26.77675 72.01631       135.3149 238.9010       182.5001 -131.7476      201.6594 89.22828 32.70926 58.12426 27.48413 31.10402       42.72321 
1 1 1 -9  10  19 o 70.79945 28.19599 120.9793       143.2663 101.5713       197.1689 142.6875       208.5261 73.29757 31.43389 77.94572 32.83116 -4.648155      45.45300 
1 1 1 -9  10  20 o 64.50394 27.02605 78.06934       140.1427 120.1647       189.3055 27.02449       208.4596 73.41582 31.11966 67.37818 30.42691 6.037643       43.52275 
1 1 1 -9  10  21 o 101.2081 30.72328 339.3040       161.6666 336.3395       208.3265 343.7921       256.3280 96.41512 35.00790 94.89522 37.74020 1.519905       51.47695 
1 1 1 -9  10  22 o 104.3536 31.31353 380.7464       168.6346 547.7565       223.5401 160.1796       256.8942 119.0265 36.12623 76.65531 34.26314 42.37115       49.79023 
1 1 1 -9  10  23 o 95.73482 36.04716 397.6467       224.4551 409.4468       263.7689 366.6738       427.3377 93.17186 37.85194 84.82361 40.07896 8.348251       55.12796 
1 1 1 -9  11  1  o 246.2887 8.937272 1465.878       105.0599 0.000000       0.000000 1465.878       105.0599 ?        ?        246.2887 8.937272 0.000000       8.937272 
1 1 1 -9  11  2  o 47.82502 16.84895 50.52878       47.87975 0.000000       0.000000 50.52878       47.87975 ?        ?        47.82502 16.84895 0.000000       16.84895 
1 1 1 -9  11  3  o 423.5916 9.621396 4339.103       194.8470 0.000000       0.000000 4339.103       194.8470 ?        ?        423.5916 9.621396 0.000000       9.621396 
1 1 1 -9  11  4  o 232.9442 9.274282 1313.575       103.0794 0.000000       0.000000 1313.575       103.0794 ?        ?        232.9442 9.274282 0.000000       9.274282 
1 1 1 -9  11  5  o 154.9627 10.49634 585.0478       77.30417 0.000000       0.000000 585.0478       77.30417 ?        ?        154.9627 10.49634 0.000000       10.49634 
1 1 1 -9  11  6  o 186.1594 9.445123 840.8857       83.78751 0.000000       0.000000 840.8857       83.78751 ?        ?        186.1594 9.445123 0.000000       9.445123 
1 1 1 -9  11  7  o 127.5727 11.14282 399.0852       67.27978 0.000000       0.000000 399.0852       67.27978 ?        ?        127.5727 11.14282 0.000000       11.14282 
1 1 1 -9  11  8  o 119.6156 11.40084 351.9064       64.41016 0.000000       0.000000 351.9064       64.41016 ?        ?        119.6156 11.40084 0.000000       11.40084 
1 1 1 -9  11  9  o 37.65053 15.28088 16.20341       42.93856 0.000000       0.000000 16.20341       42.93856 ?        ?        37.65053 15.28088 0.000000       15.28088 
1 1 1 -9  11  10 o 140.2686 11.16426 483.0957       74.25113 0.000000       0.000000 483.0957       74.25113 ?        ?        140.2686 11.16426 0.000000       11.16426 
1 1 1 -9  11  11 o 61.22253 17.48529 97.07542       53.71686 295.7928       131.3097 57.13602       58.86804 103.0670 26.50149 51.14360 18.60368 51.92339       32.37940 
1 1 1 -9  11  12 o 143.0306 11.19359 503.2528       75.93392 476.6557       153.8822 511.8137       87.30331 131.9936 25.30582 143.6136 12.85098 -11.62003      28.38190 
1 1 1 -9  11  13 o 64.60255 22.90190 101.7662       88.57086 133.1954       92.28236 -265.5503      315.4803 71.27399 23.42135 68.77174 33.02742 2.502251       40.48914 
1 1 1 -9  11  14 o 70.82805 23.03265 133.0230       89.35399 103.6614       100.1644 247.4457       197.7335 65.88079 24.21875 92.60603 34.03050 -26.72524      41.76868 
1 1 1 -9  11  15 o 63.84798 23.04658 100.6103       90.11572 77.50018       106.0139 160.7986       171.0873 61.76814 24.36418 79.47197 31.06983 -17.70383      39.48351 
1 1 1 -9  11  16 o 83.38357 25.26215 200.2350       109.3763 199.7718       117.6921 203.1701       296.2388 82.99352 26.38203 88.45600 38.23731 -5.462479      46.45539 
1 1 1 -9  11  17 o 155.5548 24.35362 687.2842       175.1776 536.1862       209.3451 1040.208       319.9440 127.2444 33.83176 170.5699 39.94129 -43.32550      52.34401 
1 1 1 -9  11  18 o 126.1596 23.34897 453.9050       135.6449 384.0854       147.9259 822.7878       340.0163 111.9130 27.77795 138.0334 44.93310 -26.12041      52.82611 
1 1 1 -9  11  19 o 68.09439 30.97039 36.20238       220.6723 150.5625       280.3063 -150.2026      357.8692 79.47461 35.63680 70.33593 34.11888 9.138680       49.33639 
1 1 1 -9  11  20 o 197.8942 20.23997 1094.140       188.7981 1215.201       216.8212 714.5054       383.9560 205.3168 22.45435 111.4271 45.51809 93.88974       50.75524 
1 1 1 -9  11  21 o 81.19118 30.04022 233.6632       154.5282 266.4866       169.4008 70.97228       377.1427 84.80322 31.43865 73.85969 35.63273 10.94353       47.51926 
1 1 1 -9  12  1  o 290.7452 8.973033 2048.001       124.5776 0.000000       0.000000 2048.001       124.5776 ?        ?        290.7452 8.973033 0.000000       8.973033 
1 1 1 -9  12  2  o 149.4812 11.80534 549.1038       83.68275 0.000000       0.000000 549.1038       83.68275 ?        ?        149.4812 11.80534 0.000000       11.80534 
1 1 1 -9  12  3  o 161.9176 11.11839 642.0626       85.54610 0.000000       0.000000 642.0626       85.54610 ?        ?        161.9176 11.11839 0.000000       11.11839 
1 1 1 -9  12  4  o 34.91198 15.56577 -17.31499      52.67200 0.000000       0.000000 -17.31499      52.67200 ?        ?        34.91198 15.56577 0.000000       15.56577 
1 1 1 -9  12  5  o 119.8549 13.45571 357.9499       75.77296 0.000000       0.000000 357.9499       75.77296 ?        ?        119.8549 13.45571 0.000000       13.45571 
1 1 1 -9  12  6  o 134.4615 11.88137 446.0416       75.59372 0.000000       0.000000 446.0416       75.59372 ?        ?        134.4615 11.88137 0.000000       11.88137 
1 1 1 -9  12  7  o 195.5742 10.42150 934.6544       97.09109 0.000000       0.000000 934.6544       97.09109 ?        ?        195.5742 10.42150 0.000000       10.42150 
1 1 1 -9  12  8  o 73.26146 16.21627 139.2886       55.29553 0.000000       0.000000 139.2886       55.29553 ?        ?        73.26146 16.21627 0.000000       16.21627 
1 1 1 -9  12  9  o 184.3476 10.83028 833.3444       95.03162 0.000000       0.000000 833.3444       95.03162 ?        ?        184.3476 10.83028 0.000000       10.83028 
1 1 1 -9  12  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  12  11 o 79.43833 17.67629 166.7130       65.40149 0.000000       0.000000 166.7130       65.40149 ?        ?        79.43833 17.67629 0.000000       17.67629 
1 1 1 -9  12  12 o 161.4869 12.04753 648.5893       92.34277 0.000000       0.000000 648.5893       92.34277 ?        ?        161.4869 12.04753 0.000000       12.04753 
1 1 1 -9  12  13 o 43.69836 17.40701 30.94755       54.61575 58.91314       147.9199 26.53330       58.76832 64.43871 27.41889 43.85202 17.84770 20.58669       32.71598 
1 1 1 -9  12  14 o 173.2137 10.53290 742.8221       86.81218 585.2845       176.5369 793.0682       99.69978 140.8321 27.20438 178.2443 11.76538 -37.41212      29.63954 
1 1 1 -9  12  15 o 121.7524 27.13783 445.4764       153.9286 394.3277       174.0430 629.1851       329.8406 110.0025 31.49177 120.2198 43.98910 -10.21725      54.09965 
1 1 1 -9  12  16 o 105.3329 27.06003 340.3873       136.9863 301.9328       180.6408 392.4293       210.1451 94.19713 32.75987 104.2150 35.36603 -10.01784      48.20752 
1 1 1 -9  12  17 o 213.1139 15.09571 1180.839       152.8107 1046.642       189.3218 1431.700       258.8478 193.8905 20.74584 220.2224 25.02875 -26.33195      32.50890 
1 1 1 -9  12  18 o 152.1895 22.88372 679.3211       161.3529 565.1728       217.6560 818.5860       240.4122 121.4525 35.35400 151.0357 34.10389 -29.58319      49.12209 
1 1 1 -9  12  19 o 124.1060 22.01752 455.7750       125.8543 479.7651       149.2295 396.6804       234.2139 122.4316 26.28092 94.11165 36.47680 28.31998       44.95825 
1 1 1 -9  13  1  o 176.9221 12.10857 772.3383       101.8022 0.000000       0.000000 772.3383       101.8022 ?        ?        176.9221 12.10857 0.000000       12.10857 
1 1 1 -9  13  2  o 114.3051 15.10742 330.8950       80.53960 0.000000       0.000000 330.8950       80.53960 ?        ?        114.3051 15.10742 0.000000       15.10742 
1 1 1 -9  13  3  o 153.2399 14.32134 588.5735       103.7060 0.000000       0.000000 588.5735       103.7060 ?        ?        153.2399 14.32134 0.000000       14.32134 
1 1 1 -9  13  4  o 272.8925 10.60714 1823.835       138.1245 0.000000       0.000000 1823.835       138.1245 ?        ?        272.8925 10.60714 0.000000       10.60714 
1 1 1 -9  13  5  o 171.8161 11.23111 727.5814       91.75031 0.000000       0.000000 727.5814       91.75031 ?        ?        171.8161 11.23111 0.000000       11.23111 
1 1 1 -9  13  6  o 197.1714 10.82165 956.5418       101.6196 0.000000       0.000000 956.5418       101.6196 ?        ?        197.1714 10.82165 0.000000       10.82165 
1 1 1 -9  13  7  o 135.4892 12.78837 459.5334       81.85773 0.000000       0.000000 459.5334       81.85773 ?        ?        135.4892 12.78837 0.000000       12.78837 
1 1 1 -9  13  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  13  9  o 206.7330 11.24824 1059.313       110.7551 0.000000       0.000000 1059.313       110.7551 ?        ?        206.7330 11.24824 0.000000       11.24824 
1 1 1 -9  13  10 o 124.4290 14.39311 396.2582       84.04498 0.000000       0.000000 396.2582       84.04498 ?        ?        124.4290 14.39311 0.000000       14.39311 
1 1 1 -9  13  11 o 205.6423 11.28985 1052.479       110.5705 0.000000       0.000000 1052.479       110.5705 ?        ?        205.6423 11.28985 0.000000       11.28985 
1 1 1 -9  13  12 o 135.3232 13.16528 465.3201       84.09931 0.000000       0.000000 465.3201       84.09931 ?        ?        135.3232 13.16528 0.000000       13.16528 
1 1 1 -9  13  13 o 45.66332 18.84921 28.86860       66.73042 0.000000       0.000000 28.86860       66.73042 ?        ?        45.66332 18.84921 0.000000       18.84921 
1 1 1 -9  13  14 o 109.1641 14.45547 310.7842       73.59078 407.7687       167.9658 287.7447       81.86652 110.2297 30.72640 103.2777 17.18382 6.952026       35.20505 
1 1 1 -9  13  15 o 103.1354 13.34007 276.2182       64.23774 215.4041       114.0624 304.4663       77.73825 82.34806 25.94645 106.8091 15.69106 -24.46100      30.32207 
1 1 1 -9  13  16 o 38.05227 16.71442 -0.1594256     58.56501 -120.6901      107.1419 51.19813       69.93789 39.06606 18.88262 49.31775 19.68058 -10.25169      27.27413 
1 1 1 -9  14  1  o 68.28755 31.71213 -48.77126      248.6813 0.000000       0.000000 -48.77126      248.6813 ?        ?        68.28755 31.71213 0.000000       31.71213 
1 1 1 -9  14  2  o 77.38454 33.93508 103.7840       240.5104 0.000000       0.000000 103.7840       240.5104 ?        ?        77.38454 33.93508 0.000000       33.93508 
1 1 1 -9  14  3  o 73.50820 32.30814 78.96383       219.1219 0.000000       0.000000 78.96383       219.1219 ?        ?        73.50820 32.30814 0.000000       32.30814 
1 1 1 -9  14  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  14  5  o 231.6244 12.18803 1341.560       134.4915 0.000000       0.000000 1341.560       134.4915 ?        ?        231.6244 12.18803 0.000000       12.18803 
1 1 1 -9  14  6  o 40.08435 17.53278 -2.407967      63.83429 0.000000       0.000000 -2.407967      63.83429 ?        ?        40.08435 17.53278 0.000000       17.53278 
1 1 1 -9  14  7  o 94.86125 17.45381 240.9415       76.24070 0.000000       0.000000 240.9415       76.24070 ?        ?        94.86125 17.45381 0.000000       17.45381 
1 1 1 -9  14  8  o 185.2996 11.36328 858.1505       100.1828 0.000000       0.000000 858.1505       100.1828 ?        ?        185.2996 11.36328 0.000000       11.36328 
1 1 1 -9  14  9  o 51.48648 20.24483 54.83119       72.99299 0.000000       0.000000 54.83119       72.99299 ?        ?        51.48648 20.24483 0.000000       20.24483 
1 1 1 -9  14  10 o 156.1605 13.59765 626.8716       100.5068 0.000000       0.000000 626.8716       100.5068 ?        ?        156.1605 13.59765 0.000000       13.59765 
1 1 1 -9  14  11 o 56.45776 20.46712 83.61926       71.16988 0.000000       0.000000 83.61926       71.16988 ?        ?        56.45776 20.46712 0.000000       20.46712 
1 1 1 -9  14  12 o 162.0461 13.13630 677.7044       100.8981 0.000000       0.000000 677.7044       100.8981 ?        ?        162.0461 13.13630 0.000000       13.13630 
1 1 1 -9  14  13 o 91.87281 15.38575 227.6934       65.19196 0.000000       0.000000 227.6934       65.19196 ?        ?        91.87281 15.38575 0.000000       15.38575 
1 1 1 -9  15  1  o 137.4288 19.09338 517.2050       122.0659 0.000000       0.000000 517.2050       122.0659 ?        ?        137.4288 19.09338 0.000000       19.09338 
1 1 1 -9  15  2  o 39.73573 18.63409 -62.67224      89.32729 0.000000       0.000000 -62.67224      89.32729 ?        ?        39.73573 18.63409 0.000000       18.63409 
1 1 1 -9  15  3  o 93.94756 20.40665 250.7451       89.02838 0.000000       0.000000 250.7451       89.02838 ?        ?        93.94756 20.40665 0.000000       20.40665 
1 1 1 -9  15  4  o 134.1434 16.94839 483.0970       106.2723 0.000000       0.000000 483.0970       106.2723 ?        ?        134.1434 16.94839 0.000000       16.94839 
1 1 1 -9  15  5  o 82.92300 23.46679 208.3799       97.19868 0.000000       0.000000 208.3799       97.19868 ?        ?        82.92300 23.46679 0.000000       23.46679 
1 1 1 -9  15  6  o 87.95082 21.35856 226.9877       88.90177 0.000000       0.000000 226.9877       88.90177 ?        ?        87.95082 21.35856 0.000000       21.35856 
1 1 1 -9  15  7  o 63.40664 21.36796 116.0605       76.70892 0.000000       0.000000 116.0605       76.70892 ?        ?        63.40664 21.36796 0.000000       21.36796 
1 1 1 -9  15  8  o 88.11420 19.59980 223.3240       80.43464 0.000000       0.000000 223.3240       80.43464 ?        ?        88.11420 19.59980 0.000000       19.59980 
1 1 1 -8  -23 1  o 49.69147 21.05623 17.76059       86.61814 17.76059       86.61814 0.000000       0.000000 49.69147 21.05623 ?        ?        0.000000       21.05623 
1 1 1 -8  -23 2  o 172.9860 19.02304 778.1317       154.7320 778.1317       154.7320 0.000000       0.000000 172.9860 19.02304 ?        ?        0.000000       19.02304 
1 1 1 -8  -23 3  o 165.9153 11.72108 681.5580       92.37582 400.5995       132.3857 948.1637       128.9599 120.4483 23.83381 194.4737 13.96323 -74.02545      27.62285 
1 1 1 -8  -23 4  o 110.1967 12.54868 304.5126       64.93469 285.5054       98.76360 318.9850       86.18023 102.6962 20.82897 110.8798 16.78145 -8.183617      26.74814 
1 1 1 -8  -23 5  o 107.0995 14.10603 291.8047       70.47292 84.73860       118.3396 405.5910       87.72439 64.24451 25.61260 126.1478 14.82848 -61.90326      29.59543 
1 1 1 -8  -23 6  o 109.3562 12.09789 299.7719       62.19368 363.0960       89.47117 240.5649       86.51367 118.4325 16.22802 94.25856 19.82739 24.17394       25.62174 
1 1 1 -8  -22 1  o 107.1473 26.43401 316.0248       134.5618 316.0248       134.5618 0.000000       0.000000 107.1473 26.43401 ?        ?        0.000000       26.43401 
1 1 1 -8  -22 2  o 108.7486 20.50084 310.5062       102.6787 310.5062       102.6787 0.000000       0.000000 108.7486 20.50084 ?        ?        0.000000       20.50084 
1 1 1 -8  -22 3  o 135.9468 11.08876 454.0148       71.44549 367.9272       101.5577 538.3663       100.5285 119.4738 18.36718 146.7715 14.51639 -27.29771      23.41109 
1 1 1 -8  -22 4  o 132.8823 12.05642 436.3390       75.76105 400.3158       120.4631 459.9109       97.44514 123.1831 21.22053 135.1247 15.35608 -11.94152      26.19390 
1 1 1 -8  -22 5  o 60.54261 17.25858 94.95763       52.38135 88.33082       86.94990 98.73273       65.62676 61.96434 22.59910 62.12314 19.69476 -0.1588058     29.97670 
1 1 1 -8  -22 6  o 59.36832 17.47332 91.04140       52.91368 158.5269       90.24818 55.68985       65.31872 76.78041 22.87648 51.90878 19.46688 24.87164       30.03819 
1 1 1 -8  -22 7  o 173.5615 12.47406 745.8740       102.8166 685.0874       172.7768 779.2023       127.9348 159.7295 23.31202 175.8723 15.36967 -16.14278      27.92270 
1 1 1 -8  -22 8  o 61.46147 18.28704 98.83710       57.70079 -100.1701      101.5306 193.7739       70.12610 41.00748 19.42340 85.84072 17.67651 -44.83324      26.26266 
1 1 1 -8  -22 9  f 115.2877 14.02196 336.2868       75.69832 201.8466       131.8564 402.3801       92.45174 84.19818 28.00961 125.3750 15.77217 -41.17680      32.14498 
1 1 1 -8  -22 10 o 55.30113 21.47274 61.94743       81.27355 47.44449       205.5166 64.63598       88.48669 70.91883 31.22526 56.93402 22.31911 13.98481       38.38176 
1 1 1 -8  -21 1  o 142.9984 14.31305 505.4543       96.53873 505.4543       96.53873 0.000000       0.000000 142.9984 14.31305 ?        ?        0.000000       14.31305 
1 1 1 -8  -21 2  o 56.39643 20.99752 64.59245       75.71777 139.1046       127.0421 23.54206       94.29589 76.64374 27.40103 53.35131 22.24755 23.29243       35.29547 
1 1 1 -8  -21 3  o 191.8381 9.865740 892.5679       90.18031 882.3232       119.7004 906.0151       137.1394 189.6285 13.28742 191.4583 15.10462 -1.829712      20.11728 
1 1 1 -8  -21 4  o 50.13465 16.88914 58.94428       47.92210 160.7063       79.95773 1.898681       59.86578 78.42860 20.93399 40.65481 17.37524 37.77379       27.20535 
1 1 1 -8  -21 5  o 74.71105 18.15486 144.6618       64.20091 -19.46644      177.8748 169.2459       68.84139 65.00791 28.81615 80.84853 18.24494 -15.84061      34.10643 
1 1 1 -8  -21 6  o 80.46944 15.22249 164.8135       56.41872 192.3982       92.56625 148.5095       71.16482 85.07495 22.43970 75.33861 19.58066 9.736343       29.78157 
1 1 1 -8  -21 7  o 178.3309 11.60321 779.3594       98.38943 599.5020       147.2342 924.4826       132.2553 152.1716 20.78030 193.0318 14.43551 -40.86026      25.30227 
1 1 1 -8  -21 8  o 87.81663 16.58574 198.3480       67.08228 408.9799       156.2669 150.7635       74.27415 121.3431 27.56610 75.52728 20.18377 45.81587       34.16540 
1 1 1 -8  -21 9  o 66.55379 19.97520 115.3659       68.61674 230.0518       113.4102 49.14117       86.18014 91.53667 25.14605 54.86514 21.86244 36.67152       33.32101 
1 1 1 -8  -21 10 o 154.5787 13.30732 593.5641       97.38783 526.2623       153.7377 638.6720       125.8616 139.9094 23.83777 158.6377 16.85261 -18.72833      29.19332 
1 1 1 -8  -21 11 o 156.8364 15.08288 619.3080       111.7012 369.3442       214.1970 712.6773       130.9113 109.3120 35.66888 167.4883 16.56546 -58.17628      39.32790 
1 1 1 -8  -21 12 o 99.84132 18.37390 262.2642       84.47332 373.9948       156.2117 216.0888       100.4229 113.1626 28.80447 88.28588 23.41294 24.87667       37.11958 
1 1 1 -8  -21 13 o 168.7976 14.22443 718.2367       113.7243 464.5134       176.6965 897.6644       148.5910 124.6718 30.00848 186.9845 16.80075 -62.31266      34.39148 
1 1 1 -8  -20 1  f 137.0930 9.466431 455.3828       61.66447 543.7280       83.35586 348.5912       91.64590 149.3452 11.76951 118.0616 16.70251 31.28352       20.43270 
1 1 1 -8  -20 2  o 32.69393 14.21649 -5.964802      41.44523 -37.76661      52.47491 46.76778       67.57178 32.21256 14.81959 51.33152 19.67188 -19.11896      24.62932 
1 1 1 -8  -20 3  o 235.5194 9.749000 1341.449       109.5355 1404.642       140.7759 1244.491       174.3754 240.2008 12.29968 224.4830 16.36006 15.71782       20.46787 
1 1 1 -8  -20 4  o 109.4002 12.77898 294.8308       65.58037 344.8979       112.1478 268.8136       80.84354 115.8423 21.02359 103.2353 16.96885 12.60700       27.01728 
1 1 1 -8  -20 5  o 210.1247 11.68473 1074.510       116.9204 1044.517       178.1698 1097.195       154.9516 204.5007 18.42070 210.9462 15.47204 -6.445526      24.05631 
1 1 1 -8  -20 6  o 253.3062 10.01925 1553.620       121.0966 1380.862       197.6381 1657.462       153.2284 235.6118 17.67430 260.8039 12.32387 -25.19206      21.54666 
1 1 1 -8  -20 7  o 104.5481 16.05865 274.6790       77.70356 277.7879       100.5938 270.0797       122.3530 103.5221 21.04298 100.7160 25.41425 2.806160       32.99532 
1 1 1 -8  -20 8  o 164.7151 14.44995 669.5746       112.6396 571.3169       169.7279 746.9115       150.5786 147.5629 24.94670 172.3443 18.56766 -24.78142      31.09816 
1 1 1 -8  -20 9  o 162.2635 13.69108 649.0125       105.2203 563.2491       146.7906 739.6481       150.9027 147.9054 21.37848 171.1360 18.75027 -23.23061      28.43611 
1 1 1 -8  -20 10 o 124.5023 17.25230 392.7796       99.93483 356.0126       136.8447 434.7946       146.2855 114.8072 25.58595 127.5409 24.88452 -12.73370      35.69145 
1 1 1 -8  -20 11 o 95.23534 25.78352 247.9582       120.2500 128.9609       199.3002 316.0769       150.7899 81.36407 32.95829 106.2107 28.92206 -24.84665      43.84900 
1 1 1 -8  -20 12 o 244.2239 12.79034 1469.065       148.8203 1241.713       230.6622 1631.193       194.7848 217.9083 22.46232 255.2634 16.04204 -37.35515      27.60259 
1 1 1 -8  -20 13 o 131.2230 15.98325 435.7786       98.20676 179.4497       159.9170 590.9797       124.4352 83.43340 30.61314 152.3399 17.39676 -68.90649      35.21096 
1 1 1 -8  -20 14 o 91.33979 22.92459 227.8158       99.93941 -403.0366      252.5295 344.9691       108.8242 55.36634 27.23559 114.0443 20.72227 -58.67795      34.22265 
1 1 1 -8  -20 15 o 202.7706 15.07447 1036.927       145.0900 739.2709       254.9117 1179.566       176.4624 153.9172 35.38263 214.5554 17.35091 -60.63818      39.40792 
1 1 1 -8  -20 16 o 106.7583 21.22946 309.7109       104.5392 238.8642       142.5662 392.1066       153.7478 90.03350 29.07890 115.6252 28.09350 -25.59171      40.43300 
1 1 1 -8  -19 1  o 145.2694 8.627263 509.3011       59.64791 543.1111       77.64042 460.6031       93.17950 149.6115 10.93002 136.9200 14.45240 12.69154       18.12008 
1 1 1 -8  -19 2  o 237.4866 8.095872 1357.015       91.78581 1467.115       130.4680 1249.125       129.1515 246.2492 11.11069 226.9638 11.94444 19.28545       16.31310 
1 1 1 -8  -19 3  o 104.8316 11.14560 268.3049       55.00518 145.4653       81.95689 368.9885       74.19860 75.55991 21.60357 122.7634 12.83134 -47.20352      25.12683 
1 1 1 -8  -19 4  o 232.7724 10.07107 1308.727       111.8116 1373.735       149.6696 1226.628       168.1981 237.6165 13.22714 223.6366 15.83387 13.97989       20.63174 
1 1 1 -8  -19 5  o 200.3126 9.764581 969.4640       93.23087 947.7565       149.3372 983.3278       119.3452 196.2895 16.05349 201.0736 12.47631 -4.784134      20.33158 
1 1 1 -8  -19 6  o 131.2469 12.96173 422.1069       80.27111 449.0042       143.1731 409.7760       96.94022 131.9633 23.55781 128.4386 16.14273 3.524719       28.55798 
1 1 1 -8  -19 7  o 306.2571 9.675417 2265.226       141.4878 2328.781       272.1507 2241.685       165.6311 306.3260 18.67175 304.0526 11.41449 2.273315       21.88435 
1 1 1 -8  -19 8  o 249.1200 12.14325 1509.502       144.1921 1457.448       205.7213 1559.770       202.1621 242.3602 17.88045 251.2321 16.93010 -8.871918      24.62395 
1 1 1 -8  -19 9  o 325.6794 13.64124 2590.639       211.9288 2705.641       304.8858 2483.125       294.7939 329.2661 19.45458 315.2548 19.65689 14.01129       27.65635 
1 1 1 -8  -19 10 o 35.02050 16.28206 -55.50478      65.85004 0.2567625E-07  105.5883 -90.83331      84.23904 53.00997 22.87123 37.63412 17.78581 15.37585       28.97288 
1 1 1 -8  -19 11 o 279.0357 12.81002 1900.506       170.4345 1764.322       234.9405 2051.786       247.6208 265.8010 18.60563 287.0214 18.13808 -21.22037      25.98383 
1 1 1 -8  -19 12 o 98.73415 18.75137 250.4560       85.27750 314.5810       146.0080 217.2558       105.0590 107.4801 28.10255 90.46403 23.92717 17.01608       36.90884 
1 1 1 -8  -19 13 o 121.1027 20.18102 379.1694       112.7339 325.6491       152.9298 442.8656       166.8360 108.3714 28.96255 127.0218 28.20738 -18.65038      40.42878 
1 1 1 -8  -19 14 o 77.73049 26.86187 154.4554       121.3651 483.3538       241.5790 43.42170       140.3640 126.2211 37.38394 64.18639 26.97997 62.03469       46.10291 
1 1 1 -8  -19 15 o 107.5169 14.33801 290.4958       71.86561 496.0949       131.1207 202.2140       85.92038 138.0125 20.49345 87.16937 20.88989 50.84309       29.26378 
1 1 1 -8  -19 16 o 27.28683 13.20681 -82.40023      52.85415 -65.31159      119.9371 -86.51866      58.87971 48.70263 22.40546 29.19383 14.08298 19.50880       26.46384 
1 1 1 -8  -19 17 o 112.5311 18.99889 332.5043       98.57821 155.7856       161.2354 437.9943       124.5733 79.10798 30.36947 128.2916 21.03903 -49.18365      36.94517 
1 1 1 -8  -19 18 o 42.31955 19.90998 -87.45741      103.4196 -298.7125      278.0247 -53.53199      111.4147 61.52303 29.89685 47.14408 21.65410 14.37894       36.91506 
1 1 1 -8  -18 1  o 170.8471 8.638891 703.4697       70.33351 700.3621       89.36967 708.5263       114.0003 170.0287 11.05402 170.3137 14.12766 -0.2850189     17.93828 
1 1 1 -8  -18 2  f 140.3832 10.02853 477.1113       66.86375 463.3624       97.17895 489.4718       92.14129 137.2519 15.05655 141.4167 13.80395 -4.164810      20.42667 
1 1 1 -8  -18 3  o 249.7250 9.786319 1504.122       116.6133 1508.065       147.8581 1497.632       189.6772 249.3725 12.44119 247.3120 16.13013 2.060532       20.37067 
1 1 1 -8  -18 4  o 46.82942 14.90621 52.43972       37.56161 51.36513       59.96049 53.13378       48.18865 50.87294 18.73195 48.88950 16.92477 1.983448       25.24547 
1 1 1 -8  -18 5  o 192.7847 9.440159 896.7988       86.74364 1075.779       134.5890 769.6254       113.4500 210.2234 13.46196 177.6752 13.45582 32.54822       19.03374 
1 1 1 -8  -18 6  o 160.4381 10.18038 622.7730       77.68452 700.8788       115.3510 557.9454       105.0896 169.2722 14.38997 150.8010 14.76530 18.47118       20.61760 
1 1 1 -8  -18 7  o 127.3143 11.63973 394.8096       70.06519 270.5739       114.8032 468.5511       88.44773 102.1559 23.92852 138.3613 13.54429 -36.20544      27.49585 
1 1 1 -8  -18 8  o 152.8672 10.88557 566.8244       79.03567 652.5728       128.5554 514.7187       100.2121 162.5475 16.78359 144.7574 14.68297 17.79019       22.29974 
1 1 1 -8  -18 9  o 176.5192 11.81742 757.1891       99.15486 967.3055       188.8744 677.2491       116.4998 196.6780 20.38181 166.1063 14.82570 30.57170       25.20356 
1 1 1 -8  -18 10 o 168.5617 11.34763 690.5986       90.91481 753.8373       150.5532 654.3019       114.0596 173.9042 18.38612 163.1102 14.78707 10.79405       23.59464 
1 1 1 -8  -18 11 f 120.2414 17.11060 362.2354       95.58929 -52.46566      187.4296 508.0177       111.1279 64.98796 29.14086 142.9368 16.56840 -77.94884      33.52166 
1 1 1 -8  -18 12 o 207.7886 12.90980 1054.288       127.6142 1012.335       192.8922 1086.944       170.1814 200.4815 20.40907 209.3366 17.15463 -8.855087      26.66105 
1 1 1 -8  -18 13 o 129.1417 14.58213 412.8788       88.45905 685.6130       233.5963 367.2211       95.57703 158.4657 31.93802 120.9498 16.99708 37.51587       36.17924 
1 1 1 -8  -18 14 o 168.2284 12.14548 691.7087       97.02613 968.6411       172.4065 563.3448       117.3784 196.5593 18.56644 150.2534 16.61750 46.30585       24.91694 
1 1 1 -8  -18 15 o 86.23131 20.62512 194.8191       83.88328 280.5771       122.9117 120.0531       114.7646 102.1500 25.30080 71.88145 25.99985 30.26855       36.27840 
1 1 1 -8  -18 16 o 57.25929 23.96679 30.89574       110.0445 0.000000       0.000000 30.89574       110.0445 ?        ?        57.25929 23.96679 0.000000       23.96679 
1 1 1 -8  -18 17 o 81.16383 19.69049 173.8997       75.61623 -550.7030      218.0888 272.9116       80.61707 45.94786 23.03710 103.2361 16.91938 -57.28823      28.58274 
1 1 1 -8  -18 18 o 200.2881 13.12406 992.6641       124.9777 1218.255       230.9131 899.2037       148.6284 214.9745 22.81539 188.6461 16.65030 26.32843       28.24490 
1 1 1 -8  -18 19 o 118.8842 20.17535 373.9712       110.5760 443.9548       203.1625 344.5132       131.8095 120.1123 33.90495 111.0353 25.38461 9.076996       42.35474 
1 1 1 -8  -18 20 o 224.1112 13.82027 1258.979       147.3570 1237.052       260.0977 1269.344       178.8246 209.8492 26.51604 222.4854 16.93926 -12.63615      31.46488 
1 1 1 -8  -17 1  o 437.3937 8.860882 4597.118       185.2925 4662.677       202.9612 4269.003       454.0576 440.2910 9.641949 414.7991 22.98616 25.49191       24.92650 
1 1 1 -8  -17 2  o 247.3813 8.214395 1471.106       97.01707 1425.627       141.9321 1510.991       132.9169 242.6870 12.27264 250.1343 11.14269 -7.447357      16.57640 
1 1 1 -8  -17 3  o 109.4804 10.29532 291.0590       53.25457 262.0738       78.14640 316.1915       72.76762 102.5474 16.49918 113.5047 13.68548 -10.95731      21.43630 
1 1 1 -8  -17 4  o 257.2850 9.237960 1593.809       113.4471 1518.420       200.2659 1629.434       137.6662 249.0149 16.92237 259.7342 11.11206 -10.71930      20.24461 
1 1 1 -8  -17 5  o 104.9793 13.33232 270.8934       65.40692 99.09491       105.2678 378.9250       83.47592 68.42536 24.87935 124.2099 14.31887 -55.78457      28.70561 
1 1 1 -8  -17 6  o 108.0023 10.85332 284.0113       55.28185 245.9341       84.40356 312.6177       73.15759 98.67793 18.57226 112.7507 13.86311 -14.07275      23.17574 
1 1 1 -8  -17 7  o 169.6941 11.68107 698.6368       94.18901 622.3111       159.8585 739.2244       116.5726 157.1992 21.86119 173.9956 14.13526 -16.79642      26.03300 
1 1 1 -8  -17 8  o 181.1878 10.27325 793.6283       88.62617 865.6335       146.0639 751.6721       111.4959 187.6718 16.44533 175.6294 13.37932 12.04233       21.20035 
1 1 1 -8  -17 9  o 124.5932 12.61899 379.3545       74.13166 335.9230       118.0567 407.6276       95.25214 114.5597 22.35796 128.4243 15.84980 -13.86462      27.40611 
1 1 1 -8  -17 10 o 235.0614 9.938298 1333.355       111.4348 1537.491       199.4126 1240.663       134.3733 250.3466 16.75756 226.1104 12.47876 24.23621       20.89343 
1 1 1 -8  -17 11 o 268.9420 9.914563 1745.174       127.2614 1824.690       235.8478 1712.512       151.1548 272.0556 18.23820 265.8611 11.92244 6.194550       21.78937 
1 1 1 -8  -17 12 o 279.6600 9.954615 1888.260       132.8832 1954.007       249.2991 1862.166       157.0541 281.0510 18.65921 277.1371 11.88109 3.913940       22.12072 
1 1 1 -8  -17 13 o 104.0783 20.92846 278.6050       100.5236 133.7603       223.3649 315.3924       112.5675 87.36045 35.06614 110.5224 22.07674 -23.16197      41.43690 
1 1 1 -8  -17 14 o 145.1678 14.23943 518.9142       97.55591 644.9505       159.9023 444.1859       123.1259 159.2425 21.55634 132.2699 20.10255 26.97263       29.47521 
1 1 1 -8  -17 15 o 201.2610 11.64182 985.8087       111.5402 972.0213       166.1711 997.1147       150.4773 197.5326 17.78605 200.9346 15.79098 -3.402054      23.78442 
1 1 1 -8  -17 16 o 52.27474 19.51977 53.94513       65.52888 -259.5476      201.8577 90.87399       69.28105 54.55431 26.25582 61.29440 20.30036 -6.740089      33.18845 
1 1 1 -8  -17 17 o 126.3589 13.83277 395.5540       82.20086 323.0299       143.7686 430.7774       100.1933 108.9103 27.58553 131.0549 16.34540 -22.14458      32.06452 
1 1 1 -8  -17 18 f 162.3802 14.97457 656.7806       114.9421 741.1945       204.9406 618.0417       138.8335 165.8203 26.76225 155.5709 19.06425 10.24934       32.85824 
1 1 1 -8  -17 19 o 54.43782 20.45790 60.82054       72.21869 15.78242       313.9615 63.33669       74.20860 83.55415 37.57047 55.29895 20.74704 28.25519       42.91829 
1 1 1 -8  -17 20 o 217.1986 14.55459 1176.358       150.2628 737.0647       263.4030 1388.288       182.9527 155.7258 36.08646 234.7419 16.40522 -79.01617      39.64043 
1 1 1 -8  -17 21 o 65.20979 21.32792 110.6229       76.56155 -4.031562      214.4362 127.3738       81.96374 69.12153 31.06783 69.24543 22.01690 -0.1239014     38.07826 
1 1 1 -8  -17 22 o 46.88892 20.31344 4.777920       83.97388 -36.76898      235.3416 10.83933       89.89101 68.50240 31.46700 49.08741 21.14017 19.41500       37.90882 
1 1 1 -8  -16 1  o 199.6680 10.29436 961.5396       97.93717 983.3887       139.7316 940.4417       137.3083 201.0298 14.63904 196.5492 14.71916 4.480606       20.75946 
1 1 1 -8  -16 2  o 81.51216 12.54610 163.9497       47.32652 110.6981       62.04891 238.0198       73.17953 66.43729 18.73168 97.77442 16.22348 -31.33713      24.78058 
1 1 1 -8  -16 3  o 138.6602 9.789503 464.5328       64.47929 474.8891       93.18340 455.0185       89.31458 139.4077 14.17822 136.4932 13.87968 2.914536       19.84105 
1 1 1 -8  -16 4  o 170.5742 9.460146 701.4733       76.84494 540.6597       116.0615 827.0004       102.5405 148.2407 16.66446 184.8662 11.66133 -36.62558      20.33939 
1 1 1 -8  -16 5  o 180.7142 9.981119 787.9435       85.89935 912.4778       124.7166 675.5468       118.4830 193.7944 13.54621 166.2625 15.06922 27.53192       20.26280 
1 1 1 -8  -16 6  o 26.23207 11.73002 -12.93407      30.14254 5.657213       51.22609 -22.78026      37.27954 38.78645 16.30090 27.98172 12.72765 10.80473       20.68121 
1 1 1 -8  -16 7  o 274.7492 8.692568 1815.301       114.0371 2025.782       184.5686 1685.337       145.0319 289.0978 13.39016 264.1219 11.51318 24.97589       17.65926 
1 1 1 -8  -16 8  o 125.4399 10.95030 382.0755       65.01281 458.7746       108.0517 338.5526       81.39465 136.1987 16.96042 117.2225 14.85689 18.97621       22.54735 
1 1 1 -8  -16 9  o 129.3776 11.13292 406.6056       68.19248 456.3013       114.7409 379.4666       84.79219 135.4345 18.17939 124.2384 14.55087 11.19605       23.28558 
1 1 1 -8  -16 10 o 117.6876 13.06097 339.2508       72.25166 376.7347       168.5725 330.8151       79.96951 119.4288 29.65886 115.8077 14.78008 3.621109       33.13757 
1 1 1 -8  -16 11 o 259.8078 12.02236 1634.835       148.9262 1672.775       220.6815 1603.107       201.8085 260.8120 17.80502 255.7700 16.59327 5.042053       24.33835 
1 1 1 -8  -16 12 o 166.9458 12.68195 678.2411       100.4636 537.3403       189.6735 733.1843       118.4423 143.2709 28.69240 173.1724 14.43728 -29.90143      32.11992 
1 1 1 -8  -16 13 o 212.2607 11.30257 1090.944       114.2843 1235.347       178.5222 990.6729       148.7623 224.2454 16.77329 201.0676 15.59732 23.17784       22.90458 
1 1 1 -8  -16 14 o 196.8163 12.72764 942.5563       119.1194 841.3522       199.5169 998.6125       148.4886 182.0872 23.46362 201.7638 15.51265 -19.67654      28.12799 
1 1 1 -8  -16 15 f 202.2947 11.85763 994.7595       114.1779 880.0941       170.2705 1088.448       153.9100 187.6777 19.24909 210.4666 15.40256 -22.78891      24.65291 
1 1 1 -8  -16 16 o 131.0000 15.42722 425.6005       94.76962 375.8299       142.2157 465.3552       127.1030 119.4066 25.67568 135.3962 20.25703 -15.98953      32.70456 
1 1 1 -8  -16 17 o 129.2238 19.20576 423.1778       115.0514 511.6443       256.0596 400.8002       128.7832 133.5300 38.18848 124.4509 22.47150 9.079117       44.30946 
1 1 1 -8  -16 18 o 41.78548 17.88955 1.039053       63.66298 319.5445       178.8425 -45.17714      68.12544 107.7605 32.22684 36.93356 16.95255 70.82690       36.41371 
1 1 1 -8  -16 19 o 154.2055 14.99231 590.7483       109.1355 548.8113       213.3510 605.6106       127.0103 139.5091 32.58076 155.1486 17.42389 -15.63950      36.94723 
1 1 1 -8  -16 20 o 169.4231 14.01790 711.8675       112.5286 806.2585       226.1059 680.7909       129.7369 171.4202 28.59612 164.4113 16.73847 7.008942       33.13479 
1 1 1 -8  -16 21 o 84.20329 23.20337 191.6555       96.39455 591.9349       365.4210 161.7188       99.93422 130.5778 46.49500 77.81989 24.25287 52.75788       52.44032 
1 1 1 -8  -16 22 f 58.55372 25.80152 -2.543624      140.5833 -95.94439      387.3299 11.62748       150.8717 82.85550 38.83820 61.72838 26.97806 21.12712       47.28871 
1 1 1 -8  -16 23 f 115.7828 19.68916 355.9676       105.0901 139.4131       247.9745 403.3756       116.0245 83.03731 35.42219 122.9372 20.45923 -39.89985      40.90613 
1 1 1 -8  -15 1  o 487.6400 17.48644 5782.758       407.0103 6153.988       576.2784 5413.272       574.9230 499.2101 24.21800 467.0959 25.84590 32.11420       35.41923 
1 1 1 -8  -15 2  o 118.0945 10.16313 337.6722       56.82309 372.2766       79.92724 302.3081       80.79984 123.4208 13.78047 110.6652 15.71301 12.75555       20.89976 
1 1 1 -8  -15 3  o 49.90760 14.83677 61.06796       37.99433 126.6007       77.11385 40.05939       43.66177 71.31693 21.12105 44.42505 16.04111 26.89188       26.52199 
1 1 1 -8  -15 4  o 84.07693 14.52996 175.7195       56.29316 81.48734       87.67965 241.8021       73.42482 62.69966 22.71914 98.62717 16.12873 -35.92751      27.86207 
1 1 1 -8  -15 5  o 51.59190 13.87689 66.51745       34.96965 39.15238       54.72935 85.39785       45.45981 46.98841 17.77608 58.39190 15.87178 -11.40349      23.83070 
1 1 1 -8  -15 6  o 245.8562 9.288177 1454.286       108.9779 1550.224       190.8670 1407.884       132.7418 252.3082 15.90400 241.4734 11.53153 10.83476       19.64468 
1 1 1 -8  -15 7  o 89.11097 12.45410 195.1790       51.61101 117.0768       87.35443 237.0628       63.96992 69.90889 22.77629 98.04965 14.04730 -28.14076      26.75978 
1 1 1 -8  -15 8  o 135.2558 11.78382 444.3282       75.43930 481.3489       146.1387 430.8790       88.08292 137.9981 22.95669 132.7232 14.09686 5.274902       26.93939 
1 1 1 -8  -15 9  o 284.7293 9.591658 1951.570       130.3808 2099.869       245.7493 1893.475       153.8131 292.9785 17.62630 280.0228 11.51381 12.95572       21.05361 
1 1 1 -8  -15 10 o 176.2314 10.43432 750.3411       87.52006 790.8770       144.7385 726.9771       109.8848 179.3985 17.08143 172.8612 13.40092 6.537231       21.71082 
1 1 1 -8  -15 11 o 334.9746 8.814797 2698.737       141.0441 2758.748       231.1616 2663.146       178.0224 336.9846 14.38126 332.1267 11.22761 4.857910       18.24500 
1 1 1 -8  -15 12 o 417.4280 10.14460 4196.905       202.4534 4443.938       453.3546 4135.370       226.2682 422.7985 22.50942 413.7766 11.44898 9.021851       25.25377 
1 1 1 -8  -15 13 o 215.3614 11.34220 1122.602       116.3697 1492.932       201.7328 937.9172       142.4615 246.5694 17.22138 195.7597 15.34434 50.80965       23.06566 
1 1 1 -8  -15 14 o 102.4187 16.36546 261.8808       77.43777 171.1664       104.8222 370.8709       114.8970 82.09841 24.69988 121.0694 20.58651 -38.97098      32.15414 
1 1 1 -8  -15 15 o 184.6484 11.72744 827.1620       102.9929 970.7227       154.0611 711.1576       138.4881 198.7772 16.35588 169.6485 17.31736 29.12874       23.82028 
1 1 1 -8  -15 16 o 276.4746 12.93004 1857.465       170.4350 1614.944       246.9794 2077.953       235.4935 254.6235 20.46079 290.7593 17.01528 -36.13580      26.61135 
1 1 1 -8  -15 17 o 224.2517 13.20901 1226.704       140.9895 1255.155       231.0724 1209.830       177.9533 223.0065 21.95766 221.2776 16.95037 1.728958       27.73903 
1 1 1 -8  -15 18 o 177.1985 14.15420 770.9709       118.9134 748.5325       311.9265 774.7864       128.6269 160.6777 40.59717 177.2379 15.33041 -16.56020      43.39529 
1 1 1 -8  -15 19 o 144.6816 20.93107 534.1176       140.5795 916.4659       322.1408 444.1758       156.2416 178.7923 38.80314 129.4939 26.13898 49.29839       46.78600 
1 1 1 -8  -15 20 o 293.4236 13.99721 2112.312       195.7901 2381.233       314.2773 1941.741       250.2961 306.2849 21.60098 278.3627 18.92010 27.92224       28.71537 
1 1 1 -8  -15 21 o 79.99213 27.52459 163.3679       127.3784 136.9143       223.8503 176.0352       154.9023 85.12650 34.76257 83.80350 30.22034 1.322990       46.06197 
1 1 1 -8  -15 22 o 199.8824 14.57449 994.1597       138.3189 1203.126       267.0530 917.5486       161.6982 210.4445 27.17700 190.0372 18.01250 20.40735       32.60429 
1 1 1 -8  -15 23 o 65.07741 27.15988 55.94822       140.7063 718.0154       542.7980 8.254348       145.6862 132.6313 54.14315 60.74908 26.53105 71.88220       60.29409 
1 1 1 -8  -15 24 o 103.2923 20.58966 286.2087       98.10767 182.9036       677.1183 288.4239       99.15398 104.5568 49.70776 103.6233 20.73886 0.9335175      53.86057 
1 1 1 -8  -15 25 o 91.43253 28.60430 248.3811       138.8718 303.8318       426.5938 241.8083       146.8720 99.54162 44.34518 90.01543 29.54587 9.526192       53.28652 
1 1 1 -8  -14 1  o 329.0974 7.561571 2595.311       118.9720 2734.219       170.7398 2464.214       165.8696 337.2278 10.60334 320.0824 10.85489 17.14545       15.17431 
1 1 1 -8  -14 2  o 207.8270 8.208306 1037.170       81.39708 1113.440       118.9775 970.0624       111.6019 214.8688 11.62529 200.5046 11.69304 14.36415       16.48862 
1 1 1 -8  -14 3  o 180.4821 9.370166 783.9029       80.57496 820.5679       110.1147 741.6440       118.2165 184.1818 12.58073 174.7522 14.27394 9.429642       19.02683 
1 1 1 -8  -14 4  o 391.8683 9.566233 3687.082       179.2212 3746.400       203.5072 3482.100       378.3084 394.6242 10.79682 377.0748 21.06884 17.54947       23.67419 
1 1 1 -8  -14 5  o 106.7197 12.05554 277.6683       60.43364 370.9224       95.35046 215.0548       78.13087 122.6235 16.69789 92.51074 18.31367 30.11275       24.78326 
1 1 1 -8  -14 6  o 268.5831 11.69576 1740.197       149.8212 1779.546       213.5853 1702.080       210.2133 270.3752 16.60335 264.3704 16.71740 6.004852       23.56147 
1 1 1 -8  -14 7  o 197.9272 10.30995 944.5015       97.22341 1097.447       144.6341 818.4228       131.3178 212.5927 14.31372 183.2726 15.12153 29.32007       20.82170 
1 1 1 -8  -14 8  o 57.30900 17.72462 79.81103       53.48981 63.30966       80.34871 92.94490       71.68286 57.82568 21.61019 62.78953 20.64287 -4.963844      29.88525 
1 1 1 -8  -14 9  o 145.8955 11.67740 516.0836       80.77151 599.8717       154.5787 484.6143       94.73299 154.9948 21.43350 140.8510 14.26447 14.14384       25.74626 
1 1 1 -8  -14 10 o 170.7878 10.53070 704.5471       85.56680 881.1520       137.3277 592.4714       109.3988 190.0766 15.23956 155.7124 14.87601 34.36421       21.29647 
1 1 1 -8  -14 11 o 298.0793 13.08046 2150.980       185.9535 2001.672       268.6958 2288.221       257.6103 285.1993 19.82976 305.8892 17.69080 -20.68985      26.57412 
1 1 1 -8  -14 12 o 124.1651 13.79225 377.5288       80.49369 444.7169       169.2225 357.8814       91.50911 130.8596 27.90115 120.2701 16.33666 10.58955       32.33204 
1 1 1 -8  -14 13 o 159.0697 11.79690 613.9913       89.07616 579.6552       140.6537 636.9843       115.0995 152.4913 19.75685 161.2869 15.10242 -8.795593      24.86798 
1 1 1 -8  -14 14 o 240.7119 11.49539 1401.724       131.9085 1391.484       186.0673 1412.070       187.0300 238.3643 16.42800 240.1425 16.38871 -1.778107      23.20493 
1 1 1 -8  -14 15 o 28.63363 13.51851 -54.27686      48.43851 -312.5552      89.04452 54.27322       57.72691 27.04846 13.70197 51.10273 18.44576 -24.05427      22.97803 
1 1 1 -8  -14 16 o 49.43323 19.02350 41.19258       63.37212 68.39228       155.5100 35.77616       69.39567 71.80817 29.10384 49.84333 19.69613 21.96483       35.14215 
1 1 1 -8  -14 17 o 170.1256 12.58923 704.4626       101.6691 620.8074       147.1339 780.9059       140.6489 157.4769 19.99286 177.9957 16.72386 -20.51875      26.06534 
1 1 1 -8  -14 18 o 378.2751 10.78194 3459.384       194.7914 3812.976       395.1326 3345.863       223.8873 390.9602 21.21938 371.2348 12.63297 19.72540       24.69522 
1 1 1 -8  -14 19 o 61.32866 22.41703 79.70750       85.62461 246.6268       320.0855 66.84228       88.86311 106.1996 42.19378 59.47305 22.61578 46.72660       47.87262 
1 1 1 -8  -14 20 o 103.7410 26.52487 287.3691       132.0525 833.1756       349.8513 196.6882       142.6009 166.9559 43.42587 87.61103 29.12799 79.34489       52.29002 
1 1 1 -8  -14 21 o 203.7785 13.42940 1017.922       130.1055 1498.578       260.5689 858.2894       150.1642 242.1864 22.77143 185.5904 17.11670 56.59601       28.48718 
1 1 1 -8  -14 22 o 39.02024 17.65279 -33.32825      70.54135 -428.7411      231.5835 7.111854       74.06079 52.44968 25.85502 45.63969 19.40990 6.809998       32.32996 
1 1 1 -8  -14 23 o 77.19846 22.18388 158.3320       86.20908 339.5384       382.8801 148.6549       88.48110 110.2527 45.29319 75.03538 22.71889 35.21737       50.67170 
1 1 1 -8  -14 24 o 46.09988 21.90485 -134.0844      131.1425 205.7648       665.6736 -147.8071      133.7640 110.3493 51.45995 45.80216 21.86388 64.54718       55.91203 
1 1 1 -8  -14 25 o 55.99830 21.92164 59.50591       85.26315 108.9330       693.3873 58.74706       85.91517 104.0366 49.69435 55.97988 21.97826 48.05669       54.33758 
1 1 1 -8  -14 26 o 110.0213 28.45657 359.5038       150.7948 386.0082       602.4387 357.7323       155.7530 105.7138 49.18281 109.1416 29.25559 -3.427803      57.22620 
1 1 1 -8  -13 1  o 78.63393 13.78655 153.0735       49.94053 170.5908       75.62905 139.5294       66.50129 82.30813 19.51732 74.50636 18.70061 7.801773       27.03032 
1 1 1 -8  -13 2  o 40.35020 15.87147 22.48895       44.87640 -47.86656      69.94682 71.70911       58.50465 37.71386 17.26099 55.96127 18.65848 -18.24742      25.41812 
1 1 1 -8  -13 3  o 168.4907 9.194146 682.8105       73.78140 774.1048       103.4989 588.4775       105.2074 179.0453 12.16328 155.6581 14.29685 23.38719       18.77086 
1 1 1 -8  -13 4  o 131.0787 10.18775 414.8746       63.34285 395.8307       96.92873 429.0696       83.68419 126.9962 16.34287 132.8479 13.35698 -5.851723      21.10683 
1 1 1 -8  -13 5  o 108.7004 11.74368 287.3353       60.06227 276.0260       93.09151 295.4005       78.61379 105.0653 19.24172 109.5752 15.43347 -4.509918      24.66649 
1 1 1 -8  -13 6  o 142.6363 10.57639 491.4203       71.61018 542.0916       117.6229 461.5778       90.26701 148.7355 16.83703 137.6805 13.90380 11.05499       21.83578 
1 1 1 -8  -13 7  o 328.3601 8.018686 2585.332       125.8815 3057.614       195.2193 2249.197       164.6944 356.3406 11.47402 305.6052 11.29164 50.73535       16.09827 
1 1 1 -8  -13 8  o 215.2888 10.53257 1116.860       108.0797 1240.762       159.9409 1012.734       146.6217 226.0767 14.88048 204.0965 15.13407 21.98022       21.22425 
1 1 1 -8  -13 9  o 221.0250 9.813193 1176.166       103.4370 1140.905       174.5085 1195.264       128.4296 216.1331 17.02573 222.4015 12.12452 -6.268402      20.90166 
1 1 1 -8  -13 10 o 215.4456 10.29103 1118.724       105.6933 1243.975       172.0676 1042.831       133.9401 225.9377 16.03366 207.3531 13.58597 18.58459       21.01563 
1 1 1 -8  -13 11 o 91.05233 15.80509 206.6093       66.30716 193.3541       156.9406 209.4896       73.15735 89.99650 30.56263 91.36421 17.38336 -1.367714      35.16042 
1 1 1 -8  -13 12 o 199.1647 11.23949 958.4301       106.5863 1031.257       161.1325 901.7731       142.1224 205.3734 16.55089 192.2108 15.59992 13.16266       22.74400 
1 1 1 -8  -13 13 o 84.04329 14.69944 175.9582       56.91288 163.7820       89.66263 184.1743       73.65247 80.30337 22.47338 85.25593 18.59466 -4.952560      29.16872 
1 1 1 -8  -13 14 o 282.7057 12.30735 1933.318       165.9455 2095.318       239.4558 1783.622       230.1836 292.7227 17.18603 269.7171 17.95300 23.00555       24.85296 
1 1 1 -8  -13 15 o 282.6793 12.49340 1935.102       168.4259 2004.824       242.7610 1870.395       233.8681 285.8406 17.85338 276.0713 17.81418 9.769318       25.22079 
1 1 1 -8  -13 16 o 39.93018 17.74323 -22.57180      67.85080 15.03185       86.91538 -81.24456      108.5675 50.88509 21.29931 45.77164 21.15008 5.113453       30.01644 
1 1 1 -8  -13 17 o 67.87385 23.75610 104.3948       95.07611 67.92456       163.6542 122.9749       116.8106 73.04857 29.76365 73.95243 26.29226 -0.9038620     39.71344 
1 1 1 -8  -13 18 o 127.2269 13.16154 396.2925       78.90141 609.9654       130.0022 271.6847       99.27700 156.8859 17.63755 103.1222 20.85421 53.76376       27.31266 
1 1 1 -8  -13 19 o 45.96743 18.47446 26.03160       62.08159 70.00304       115.1639 8.019223       73.70835 64.96964 25.46428 46.13314 19.48009 18.83649       32.06094 
1 1 1 -8  -13 20 o 153.5323 16.86621 585.8201       121.7653 632.2244       221.8743 565.8201       145.6606 153.0557 31.37606 149.3382 20.97922 3.717514       37.74367 
1 1 1 -8  -13 21 o 45.64535 19.21451 10.38097       71.35619 288.7753       219.8675 -22.39365      75.43964 104.4297 36.15188 42.13927 18.71791 62.29043       40.71017 
1 1 1 -8  -13 22 f 60.05976 25.30141 26.10761       123.8754 -70.46141      368.1648 38.43590       131.5451 87.80464 39.96148 63.02500 26.27881 24.77964       47.82777 
1 1 1 -8  -13 23 o 217.7353 15.04019 1172.398       155.6015 1779.921       405.5183 1067.506       168.4995 252.3773 34.51181 206.6572 17.21062 45.72008       38.56514 
1 1 1 -8  -13 24 o 72.84258 27.81129 116.5029       134.7235 262.7634       396.0867 97.36783       143.2655 105.7238 44.92226 71.22483 28.25084 34.49894       53.06712 
1 1 1 -8  -13 25 o 148.7563 17.88648 566.3447       124.6574 290.0781       590.5356 579.2292       127.5312 111.3105 50.64051 150.3379 18.10770 -39.02734      53.78057 
1 1 1 -8  -13 26 o 44.57455 19.87133 -19.85757      85.81188 201.5869       453.5910 -28.07733      87.38999 99.59391 44.93738 44.04021 19.81066 55.55370       49.11039 
1 1 1 -8  -13 27 o 136.2906 25.20653 523.4644       158.1950 882.7732       473.3450 478.2855       167.8462 136.3193 52.10959 127.6458 28.25181 8.673492       59.27541 
1 1 1 -8  -12 1  o 320.2508 9.138013 2459.376       139.7675 2528.385       279.8197 2436.436       161.3349 323.2330 18.18060 318.5785 10.60741 4.654541       21.04879 
1 1 1 -8  -12 2  f 102.4759 11.21262 254.9264       54.03790 232.8516       80.58884 272.9601       72.83963 96.70909 18.09505 105.5061 14.85091 -8.796974      23.40898 
1 1 1 -8  -12 3  o 344.7029 9.166430 2849.693       150.9274 2780.457       311.3951 2870.951       172.5494 338.5737 19.31773 345.8175 10.44856 -7.243805      21.96240 
1 1 1 -8  -12 4  o 281.2370 11.84279 1902.742       158.8772 1985.603       225.7805 1821.469       223.6078 286.4545 16.55682 274.1973 17.14327 12.25717       23.83317 
1 1 1 -8  -12 5  o 310.2549 12.70352 2317.849       188.0318 2272.084       267.1418 2362.784       264.7093 305.9650 18.34684 312.1668 17.81066 -6.201813      25.57002 
1 1 1 -8  -12 6  o 499.9850 9.937472 5997.896       237.5424 6081.502       606.2216 5982.730       258.1891 497.7161 25.56222 499.1818 10.81859 -1.465729      27.75732 
1 1 1 -8  -12 7  o 466.4357 16.86476 5266.790       375.4611 5426.207       533.2028 5110.000       528.7890 470.5617 23.77811 456.3513 24.32465 14.21036       34.01598 
1 1 1 -8  -12 8  o 263.3192 9.480413 1666.041       119.1540 1644.234       214.4789 1675.777       143.3031 260.0207 17.35246 263.7883 11.38981 -3.767609      20.75658 
1 1 1 -8  -12 9  o 333.5899 13.33717 2686.574       212.2798 2806.783       304.2151 2572.496       296.3571 339.3473 18.82492 324.7144 19.17534 14.63281       26.87139 
1 1 1 -8  -12 10 o 599.4739 8.284413 8620.485       237.4326 8570.742       347.6779 8663.958       325.0263 596.5342 12.19083 600.0763 11.32932 -3.542053      16.64241 
1 1 1 -8  -12 11 o 312.8871 8.925200 2352.264       133.3737 2670.910       210.3334 2137.977       172.4854 332.4160 13.26143 297.6246 12.14755 34.79141       17.98412 
1 1 1 -8  -12 12 o 242.7584 10.32502 1419.834       119.5585 1608.618       201.8916 1317.871       148.3730 256.9043 16.52525 233.2401 13.36178 23.66422       21.25138 
1 1 1 -8  -12 13 o 366.6347 10.04591 3234.875       175.9226 3251.835       203.5574 3184.823       349.6923 367.1843 11.61022 360.0566 20.39797 7.127686       23.47071 
1 1 1 -8  -12 14 o 252.6084 11.68530 1541.513       140.7400 1727.840       203.9984 1372.273       194.4198 266.2509 16.10134 236.8103 17.29159 29.44058       23.62736 
1 1 1 -8  -12 15 o 153.2704 12.34811 570.7230       89.71776 575.1733       126.1474 566.1679       127.6257 152.6264 17.61037 151.3066 17.99509 1.319748       25.17833 
1 1 1 -8  -12 16 o 276.0043 10.57673 1837.897       139.3064 1882.510       237.2744 1814.429       172.0881 276.9492 18.01799 273.5350 13.19815 3.414215       22.33471 
1 1 1 -8  -12 17 o 286.9606 11.37584 1990.597       155.7589 2197.608       212.4360 1749.932       229.0543 300.3827 14.83854 266.7483 18.06753 33.63443       23.37986 
1 1 1 -8  -12 18 o 299.6158 12.94056 2178.099       184.9273 2355.501       269.4140 2020.051       254.2939 309.3528 18.29793 286.2256 18.68529 23.12720       26.15252 
1 1 1 -8  -12 19 f 170.8818 13.24307 711.8755       107.3475 1002.292       157.8392 461.9366       146.4271 201.9492 16.49146 134.3013 23.66967 67.64789       28.84825 
1 1 1 -8  -12 20 o 310.9500 13.03957 2348.782       193.4181 2243.399       264.1769 2470.542       283.9626 301.5013 18.41509 316.2011 18.86989 -14.69977      26.36642 
1 1 1 -8  -12 21 f 216.8772 12.68843 1145.921       130.9873 1159.553       202.7089 1136.149       171.6332 215.2594 19.92311 214.4105 16.87956 0.8489380      26.11226 
1 1 1 -8  -12 22 o 193.5687 15.77927 925.5027       144.7603 662.4529       391.3071 967.2106       155.8145 146.4383 48.23473 197.5523 16.65239 -51.11397      51.02834 
1 1 1 -8  -12 23 o 73.63204 27.81043 114.5257       133.8309 196.5330       378.6390 102.8180       143.0655 104.7802 44.19299 73.15544 28.46570 31.62473       52.56726 
1 1 1 -8  -12 24 f 88.41602 22.58212 206.7587       95.78441 306.4748       395.0171 200.5294       98.73093 111.9725 46.00321 86.96966 23.28377 25.00289       51.55996 
1 1 1 -8  -12 25 o 222.1970 16.07764 1235.052       169.6375 1522.657       445.8761 1186.375       183.4319 218.8586 44.13804 216.6328 17.86975 2.225723       47.61822 
1 1 1 -8  -12 26 o 76.48022 24.02451 156.5143       97.86192 406.8599       448.8623 144.0206       100.2741 113.6311 48.03117 74.01846 24.41885 39.61266       53.88203 
1 1 1 -8  -12 27 o 149.2459 18.33807 576.7916       128.0999 631.6673       468.9232 572.3661       133.1651 124.5885 50.52285 148.0958 19.26395 -23.50732      54.07086 
1 1 1 -8  -12 28 o 100.0751 30.36132 306.6156       157.9119 -382.5514      403.2666 431.4282       171.6166 71.01043 34.82736 119.2334 30.10546 -48.22293      46.03568 
1 1 1 -8  -11 1  o 197.8829 10.15408 940.8647       95.74200 876.8486       136.0115 1003.742       134.7959 190.4084 15.06371 203.9626 13.90668 -13.55428      20.50149 
1 1 1 -8  -11 2  o 366.9459 7.486401 3223.254       131.3359 2995.546       187.2714 3443.648       184.2397 353.2763 11.10166 378.9218 10.17932 -25.64554      15.06206 
1 1 1 -8  -11 3  o 240.2917 8.729474 1384.783       100.1182 1202.842       172.1916 1477.705       123.0568 222.9754 16.26461 248.0673 10.39901 -25.09186      19.30485 
1 1 1 -8  -11 4  o 443.8281 7.622046 4716.176       161.7315 4450.720       231.6562 4968.602       225.8984 430.6113 11.26220 455.2459 10.37908 -24.63455      15.31543 
1 1 1 -8  -11 5  o 277.9571 9.319452 1853.547       123.6693 1896.104       150.7777 1766.062       216.1812 280.9037 11.24995 270.1997 16.81834 10.70401       20.23408 
1 1 1 -8  -11 6  o 206.3102 10.86823 1024.014       106.8202 937.4233       156.0532 1100.358       146.5294 196.4728 16.77381 213.3766 14.44902 -16.90382      22.13899 
1 1 1 -8  -11 7  o 136.3221 10.78496 448.7463       69.71762 414.7797       105.2424 475.3087       93.06752 129.9436 17.37563 139.8405 14.11349 -9.896805      22.38533 
1 1 1 -8  -11 8  o 239.5350 11.30847 1381.065       129.1377 1465.359       187.7607 1305.396       177.8951 245.9128 16.05822 232.0282 16.13725 13.88458       22.76570 
1 1 1 -8  -11 9  o 55.80567 16.53201 76.33379       47.23917 118.5553       82.61390 55.82251       57.58146 70.10516 22.08077 51.76027 18.45375 18.34489       28.77675 
1 1 1 -8  -11 10 f 189.5524 11.70215 867.2639       105.5311 771.9612       164.5158 933.8966       137.5621 177.1568 19.76015 196.1809 14.77533 -19.02409      24.67335 
1 1 1 -8  -11 11 o 551.9134 8.198648 7305.024       216.3324 7844.667       319.9280 6850.421       293.6400 570.9769 11.71994 533.6304 11.50976 37.34650       16.42655 
1 1 1 -8  -11 12 o 87.04755 16.19620 189.3051       64.92286 268.0895       84.06777 72.88629       102.1930 103.6995 17.58441 63.77404 24.25242 39.92545       29.95649 
1 1 1 -8  -11 13 o 287.1318 10.12715 1984.592       138.8022 2104.882       247.0243 1929.090       167.7961 293.6631 17.67654 282.5797 12.45088 11.08334       21.62139 
1 1 1 -8  -11 14 o 117.2927 16.31208 340.0752       89.00025 429.9828       143.1657 283.4435       113.6239 130.0869 23.90001 105.2985 23.19777 24.78840       33.30687 
1 1 1 -8  -11 15 o 145.7436 12.50399 516.2725       86.28455 370.7711       118.8412 678.4810       125.4788 121.2355 21.27935 166.4502 15.96348 -45.21472      26.60157 
1 1 1 -8  -11 16 o 242.8206 10.63976 1422.528       123.2168 1275.578       194.4328 1521.152       159.2856 227.9419 17.98741 250.4622 13.35051 -22.52032      22.40051 
1 1 1 -8  -11 17 o 339.1693 13.33811 2787.826       215.8597 3271.187       311.4474 2340.989       299.4494 365.4988 17.87763 307.8945 20.45897 57.60431       27.16945 
1 1 1 -8  -11 18 o 145.0179 12.46428 512.1572       85.57909 676.6082       135.3599 402.6512       110.4563 165.5410 17.36114 126.8689 18.77697 38.67213       25.57310 
1 1 1 -8  -11 19 o 55.33419 23.36676 13.74342       106.0658 -276.2557      195.6489 134.4484       126.2239 53.29575 25.70011 76.94724 27.33377 -23.65149      37.51840 
1 1 1 -8  -11 20 o 100.9486 16.77935 255.3430       78.13947 264.0102       134.4002 250.9173       96.03900 100.3739 27.29362 98.96880 20.95119 1.405090       34.40775 
1 1 1 -8  -11 21 o 161.5011 14.90129 640.4078       113.7589 622.9737       166.0056 655.8431       156.2005 156.5524 22.85323 161.5316 20.70156 -4.979279      30.83545 
1 1 1 -8  -11 22 o 143.6549 14.27080 507.8498       96.71690 520.5790       162.1065 500.8143       120.5166 141.5962 24.85248 141.3852 18.25493 0.2110596      30.83648 
1 1 1 -8  -11 23 o 217.9243 16.32063 1174.521       168.8048 1655.518       541.8455 1122.819       177.6455 230.1859 50.61696 212.4501 17.64919 17.73575       53.60570 
1 1 1 -8  -11 24 o 68.96629 23.58102 114.7844       93.45358 664.5470       418.6985 85.96020       95.87218 143.9496 49.88571 63.77995 23.64998 80.16964       55.20784 
1 1 1 -8  -11 25 o 264.9529 16.06259 1742.354       202.5106 1925.452       453.1020 1696.649       226.3794 258.7840 37.73260 260.0066 18.32889 -1.222565      41.94875 
1 1 1 -8  -11 26 o 81.07323 28.81374 168.6174       140.2784 -299.3000      269.0027 343.3882       164.4018 62.43214 30.11317 109.7276 30.32800 -47.29545      42.73863 
1 1 1 -8  -11 27 f 247.6889 13.67160 1522.970       161.2673 1659.925       254.2231 1430.749       208.6136 252.1588 21.28648 236.3650 18.61086 15.79388       28.27505 
1 1 1 -8  -11 28 o 72.65723 23.20220 142.2050       90.94688 132.1208       176.8944 145.8283       106.0343 77.12233 31.11845 73.87878 25.12108 3.243553       39.99284 
1 1 1 -8  -11 29 o 38.91623 18.25553 -70.06509      85.85009 53.47170       175.3790 -108.9958      98.45231 67.36691 29.26948 39.15358 18.70855 28.21333       34.73776 
1 1 1 -8  -10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -10 2  o 299.7026 8.667544 2152.648       124.0619 1794.610       234.8490 2291.238       146.1132 272.3753 18.13821 309.0894 9.900507 -36.71414      20.66433 
1 1 1 -8  -10 3  o 436.7169 7.535371 4565.208       157.3305 4404.850       224.3521 4720.374       220.6909 428.5194 10.95994 443.8076 10.40115 -15.28824      15.10974 
1 1 1 -8  -10 4  o 106.6687 10.06156 275.0635       50.70481 77.21408       73.07431 458.7721       70.41449 59.79949 20.83372 137.9250 10.76369 -78.12547      23.44996 
1 1 1 -8  -10 5  o 317.5297 9.804203 2418.297       148.6566 2401.786       176.5415 2458.535       275.5959 316.2175 11.69773 318.8735 18.15281 -2.655975      21.59540 
1 1 1 -8  -10 6  o 371.3715 8.013988 3302.439       142.2871 3084.811       210.6300 3485.114       192.9758 358.3032 12.31423 381.1155 10.60132 -22.81235      16.24894 
1 1 1 -8  -10 7  f 371.4425 9.680799 3309.123       171.7674 3199.645       357.7169 3341.929       195.8197 363.0797 20.69337 373.1013 10.98993 -10.02167      23.43062 
1 1 1 -8  -10 8  o 103.7919 12.24815 262.2668       59.60820 214.2952       95.60872 292.7702       76.23942 92.17270 22.00224 109.2889 14.98554 -17.11623      26.62076 
1 1 1 -8  -10 9  o 77.31837 17.61644 150.1161       63.66175 240.2983       87.07652 46.56273       93.30887 97.98415 19.27516 57.89137 22.85063 40.09278       29.89454 
1 1 1 -8  -10 10 o 428.6071 15.93479 4439.779       325.9548 4513.717       463.6145 4367.505       458.3697 429.7967 22.64229 422.7100 22.76513 7.086670       32.10801 
1 1 1 -8  -10 11 o 171.7930 10.78957 711.6745       88.16969 634.8544       127.8417 781.3615       121.7619 161.1678 16.83972 179.4730 14.30910 -18.30515      22.09811 
1 1 1 -8  -10 12 o 86.56802 19.45687 189.2823       78.56104 324.4019       126.1350 103.6468       100.4161 112.9517 24.09323 69.06672 24.39455 43.88494       34.28669 
1 1 1 -8  -10 13 o 201.2340 10.65602 976.3175       102.1537 974.3344       154.6674 977.8519       136.0508 199.8924 16.32640 200.7195 14.27069 -0.8270721     21.68419 
1 1 1 -8  -10 14 o 391.7105 10.36001 3692.346       193.8441 4089.968       411.0982 3578.664       219.8149 408.0675 21.14409 385.2057 11.95038 22.86185       24.28753 
1 1 1 -8  -10 15 o 281.6301 10.41255 1910.666       139.9574 1953.777       242.2654 1889.071       171.4646 282.6545 18.02167 279.4669 12.86775 3.187622       22.14407 
1 1 1 -8  -10 16 o 180.1346 11.56740 785.1741       99.09223 813.0202       148.6532 762.9052       132.9356 181.9830 17.29337 176.5960 15.91595 5.387039       23.50272 
1 1 1 -8  -10 17 o 180.7258 11.65642 790.9171       100.1778 910.1804       152.1272 699.6017       133.1144 192.6949 16.67709 168.7510 16.71904 23.94392       23.61465 
1 1 1 -8  -10 18 o 164.5979 13.51597 660.0659       105.4243 789.3480       199.7525 610.1514       124.1184 176.6965 24.28782 157.4045 16.75038 19.29199       29.50379 
1 1 1 -8  -10 19 o 306.8138 10.95312 2273.455       160.4071 2091.613       284.3268 2358.354       194.2769 290.5159 20.60473 311.8303 13.06042 -21.31442      24.39527 
1 1 1 -8  -10 20 o 283.1382 12.94847 1946.158       174.8132 2092.560       258.6242 1822.999       237.2082 291.2522 18.67175 271.9154 18.35438 19.33682       26.18239 
1 1 1 -8  -10 21 o 284.6478 11.47786 1961.069       155.8783 1786.596       258.5096 2060.751       195.3975 268.1440 20.31627 290.9016 14.09154 -22.75769      24.72493 
1 1 1 -8  -10 22 o 231.6168 14.15653 1309.499       156.0112 1072.415       261.1207 1441.111       194.5537 203.6957 27.51642 241.9663 16.92480 -38.27065      32.30483 
1 1 1 -8  -10 23 o 264.5484 21.21080 1759.200       266.0229 1759.200       266.0229 0.000000       0.000000 264.5484 21.21080 ?        ?        0.000000       21.21080 
1 1 1 -8  -10 24 o 171.9499 17.83916 739.2523       144.5225 1059.431       268.8246 609.0946       171.3988 199.7129 29.00219 153.1045 24.22080 46.60835       37.78590 
1 1 1 -8  -10 25 o 54.50072 22.04014 39.30283       88.95929 56.52674       256.8928 36.95597       94.82642 82.88436 35.71688 55.40382 22.62526 27.48054       42.27999 
1 1 1 -8  -10 26 f 41.48846 18.81370 -38.81384      80.69324 17.25784       156.4133 -59.14974      94.19624 64.53913 27.84107 43.23478 19.87761 21.30435       34.20884 
1 1 1 -8  -10 27 o 187.6460 15.96696 884.6406       141.8826 823.9470       212.0126 933.8696       190.9420 174.1953 26.27403 189.2449 21.48395 -15.04961      33.93943 
1 1 1 -8  -10 28 o 159.7868 15.56752 644.8627       117.4176 751.2563       204.7961 592.7631       143.3114 164.4976 26.97492 150.2931 20.47703 14.20450       33.86673 
1 1 1 -8  -10 29 o 98.38631 22.07822 265.8826       101.2923 84.92580       187.4142 340.5545       120.3909 72.64879 30.88585 110.8390 23.45202 -38.19025      38.78057 
1 1 1 -8  -10 30 o 111.8032 21.83808 346.3463       112.5400 311.9854       219.3548 358.6220       131.1107 96.54729 35.77826 111.3328 25.21926 -14.78546      43.77322 
1 1 1 -8  -9  1  o 204.2849 10.05567 1002.186       97.90817 921.8146       138.7412 1081.916       138.1866 195.3334 14.97073 211.8730 13.71582 -16.53961      20.30385 
1 1 1 -8  -9  2  o 801.5748 8.356717 15382.73       320.2492 15058.49       454.1482 15703.44       451.6636 792.4390 11.98736 809.2968 11.67344 -16.85779      16.73218 
1 1 1 -8  -9  3  o 347.7397 9.295627 2898.233       154.4015 2901.887       176.9842 2886.593       315.8869 347.8152 10.65590 345.5590 19.19602 2.256226       21.95530 
1 1 1 -8  -9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -9  5  o 741.4585 11.47700 13182.27       406.8399 13121.90       428.8686 13725.03       1285.954 739.6260 12.12841 745.5901 36.18392 -5.964111      38.16247 
1 1 1 -8  -9  6  f 113.8621 11.40621 313.9755       61.25591 199.5429       93.47804 400.0958       81.09379 89.10037 22.06194 128.4039 13.40727 -39.30356      25.81635 
1 1 1 -8  -9  7  o 536.3945 19.28267 6951.608       493.6881 6579.621       699.5519 7320.691       696.8170 518.6411 28.32016 547.8344 26.68514 -29.19330      38.91180 
1 1 1 -8  -9  8  o 285.1505 10.76738 1952.554       146.5250 1895.670       185.5836 2046.703       238.7553 280.5358 13.88013 290.9398 17.24224 -10.40399      22.13487 
1 1 1 -8  -9  9  o 398.9413 8.347634 3812.397       159.2138 3605.518       237.4591 3981.359       214.5972 387.2074 12.84513 407.2228 11.03276 -20.01538      16.93278 
1 1 1 -8  -9  10 o 100.9816 14.10040 250.0218       66.22060 365.8252       132.9329 211.7998       76.37102 120.5445 23.91078 92.09101 17.99160 28.45350       29.92362 
1 1 1 -8  -9  11 o 162.2775 10.63339 634.8188       82.04256 761.5173       120.1003 523.9654       112.3396 177.2508 14.29365 146.4499 16.32191 30.80093       21.69593 
1 1 1 -8  -9  12 o 269.4482 9.916610 1744.874       127.5279 1558.852       216.5062 1843.704       157.8094 253.0665 18.01257 276.6519 11.95964 -23.58543      21.62141 
1 1 1 -8  -9  13 o 282.8610 10.12133 1924.008       136.6528 1887.232       238.0806 1942.077       166.8794 278.3669 17.98577 283.7825 12.32953 -5.415680      21.80608 
1 1 1 -8  -9  14 o 146.4662 13.89472 522.3602       96.13246 729.4110       151.3942 382.4754       124.4389 172.1974 18.68901 123.2729 21.91765 48.92450       28.80386 
1 1 1 -8  -9  15 o 174.8242 11.75353 739.5065       97.66681 791.3864       141.6851 692.5361       134.8144 179.8200 16.67057 168.0329 17.01591 11.78714       23.82119 
1 1 1 -8  -9  16 o 170.8728 13.12119 709.1353       106.3699 466.3601       181.4982 836.1474       131.2782 133.9666 29.16690 185.2153 14.95243 -51.24876      32.77626 
1 1 1 -8  -9  17 o 250.4609 12.51308 1517.854       149.3602 1346.192       219.3009 1666.374       203.9844 233.6855 19.81576 261.3499 16.40829 -27.66440      25.72735 
1 1 1 -8  -9  18 o 213.6980 11.81681 1105.115       120.2583 1056.474       183.8825 1141.468       158.9669 207.0057 18.78448 216.2654 15.47718 -9.259750      24.33927 
1 1 1 -8  -9  19 o 245.7330 12.78037 1464.014       149.6305 1499.119       230.6145 1438.490       196.6416 246.3103 19.74910 242.2435 17.08877 4.066727       26.11615 
1 1 1 -8  -9  20 o 176.3679 12.77122 756.7449       106.9568 637.2053       166.1163 841.3947       139.7877 158.7947 22.51129 185.1502 15.94722 -26.35548      27.58753 
1 1 1 -8  -9  21 o 250.1292 12.13953 1517.243       144.7357 1591.501       234.6399 1471.634       183.8879 253.3797 19.52001 245.1303 15.77463 8.249405       25.09721 
1 1 1 -8  -9  22 o 391.4197 15.19544 3739.370       283.8170 4133.211       412.7467 3386.118       390.8996 407.5915 21.25461 368.0800 22.31826 39.51157       30.81985 
1 1 1 -8  -9  23 o 38.15462 17.61163 -56.12254      74.98844 -201.3544      151.4753 -8.974301      86.30650 47.74329 22.91731 47.20490 20.52093 0.5383911      30.76218 
1 1 1 -8  -9  24 o 62.34503 25.12282 54.91570       115.1302 44.85543       164.4238 64.59248       161.2596 69.70101 29.24331 71.37160 29.36522 -1.670586      41.44257 
1 1 1 -8  -9  25 o 56.97203 21.86152 59.85817       83.52393 101.1623       156.8613 43.51328       98.67567 74.75730 29.58991 57.28033 23.19511 17.47697       37.59755 
1 1 1 -8  -9  26 o 162.3905 14.57363 652.4164       111.9434 974.6733       190.4031 482.1819       138.3874 195.6881 20.66339 136.4350 21.96122 59.25305       30.15412 
1 1 1 -8  -9  27 o 83.81694 22.84958 187.5751       94.05602 100.7425       174.0110 223.4149       111.7941 75.67461 30.74401 90.82790 24.97215 -15.15330      39.60811 
1 1 1 -8  -9  28 o 73.14551 28.25936 119.7807       140.2373 -46.35312      181.6989 364.5573       220.5506 62.10136 28.18884 109.1203 36.22294 -47.01894      45.89893 
1 1 1 -8  -9  29 o 59.34488 26.41732 -10.58983      151.0896 -190.9173      202.1127 217.8337       227.4747 55.98499 26.76584 90.14555 35.64806 -34.16056      44.57796 
1 1 1 -8  -9  30 o 192.6707 17.75252 965.3600       161.6875 1163.618       251.8806 826.4086       210.8682 202.0226 26.73431 169.8537 26.85944 32.16882       37.89661 
1 1 1 -8  -8  1  o 710.0453 7.921163 12067.83       268.8954 12669.84       381.5821 11473.98       378.9824 727.0953 10.97712 691.8519 11.45770 35.24335       15.86745 
1 1 1 -8  -8  2  o 666.3553 7.815621 10628.10       248.9876 10998.28       353.9551 10265.49       350.3163 677.4398 10.92871 654.4412 11.19648 22.99854       15.64602 
1 1 1 -8  -8  3  o 435.0054 9.386323 4532.031       195.2084 4559.020       215.6830 4409.786       459.0324 436.2102 10.34217 426.5858 22.58808 9.624390       24.84314 
1 1 1 -8  -8  4  o 819.9130 11.25261 16114.62       441.0923 15683.04       1505.263 16155.16       461.3443 795.4387 39.70752 820.8397 11.75597 -25.40094      41.41123 
1 1 1 -8  -8  5  o 186.3853 10.40453 835.0179       92.34540 779.5214       133.4501 886.0084       127.9177 179.4100 15.71695 191.5883 14.06338 -12.17833      21.09031 
1 1 1 -8  -8  6  o 331.9354 10.24574 2642.672       162.3996 2654.255       194.9766 2616.433       293.4605 332.4190 12.28956 328.9924 18.73503 3.426636       22.40614 
1 1 1 -8  -8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -8  8  o 142.3624 11.44658 489.1737       77.25137 285.1814       116.8249 647.6808       102.9800 106.4502 23.57711 163.7126 13.27085 -57.26238      27.05541 
1 1 1 -8  -8  9  o 296.0494 9.848993 2102.856       139.2065 2009.144       253.2783 2143.417       166.6314 288.0199 18.49131 298.6705 11.69219 -10.65060      21.87774 
1 1 1 -8  -8  10 o 46.09956 16.52007 43.35255       46.20693 -49.16076      70.81503 111.9445       60.97612 37.90599 17.35601 67.06129 18.44476 -29.15530      25.32667 
1 1 1 -8  -8  11 o 223.3580 11.28396 1200.610       120.1053 1159.547       172.6615 1239.108       167.1803 218.6277 16.64402 226.2490 15.55032 -7.621353      22.77797 
1 1 1 -8  -8  12 o 258.1392 10.08198 1601.329       124.1859 1355.698       203.6886 1746.653       156.6731 236.0217 18.19150 269.2941 12.20081 -33.27240      21.90412 
1 1 1 -8  -8  13 o 275.2393 9.475379 1819.805       124.4994 2034.923       188.7655 1654.184       165.6315 290.3332 13.63744 261.7720 13.27798 28.56116       19.03378 
1 1 1 -8  -8  14 o 357.5266 10.32451 3073.276       176.2913 3214.684       349.0632 3024.858       204.2548 362.7529 20.20713 354.3216 12.07540 8.431305       23.54025 
1 1 1 -8  -8  15 o 136.9541 13.54934 456.9327       87.55452 620.7258       121.8062 281.8369       125.9388 159.2644 16.22340 104.8136 25.40111 54.45079       30.13993 
1 1 1 -8  -8  16 o 109.3876 16.85378 297.1075       85.31355 400.1945       116.6853 178.7074       125.0519 126.5209 19.95084 85.18880 27.20731 41.33207       33.73832 
1 1 1 -8  -8  17 o 212.6805 12.48974 1095.218       126.4368 1201.576       206.1212 1031.057       160.0942 220.7713 19.73657 205.3694 16.44266 15.40192       25.68839 
1 1 1 -8  -8  18 o 195.4026 12.05831 924.6318       112.0997 910.7589       169.8864 935.3303       149.1885 192.1956 18.72590 195.5605 16.09925 -3.364899      24.69504 
1 1 1 -8  -8  19 o 463.9469 11.04450 5188.648       244.9756 5827.078       559.8193 5037.439       272.4461 483.4422 24.29907 456.4384 12.49680 27.00378       27.32425 
1 1 1 -8  -8  20 o 50.59864 20.57083 27.64887       77.96764 77.30993       222.0098 20.66227       83.27170 82.82529 34.30309 50.82273 21.02495 32.00257       40.23369 
1 1 1 -8  -8  21 o 131.2452 21.67623 437.2680       131.2676 517.9316       240.8647 403.1883       156.5606 137.5793 36.15408 124.0801 27.14839 13.49926       45.21231 
1 1 1 -8  -8  22 o 156.2124 14.19185 597.9695       104.8338 834.9330       176.9335 469.7777       130.1366 182.5672 20.63227 136.3781 20.60100 46.18909       29.15633 
1 1 1 -8  -8  23 o 63.68250 24.09366 77.85380       100.5486 0.000000       0.000000 77.85380       100.5486 ?        ?        63.68250 24.09366 0.000000       24.09366 
1 1 1 -8  -8  24 o 100.3081 24.60029 264.0919       117.0590 224.6475       156.6448 313.9775       176.1615 93.34455 30.50571 107.9605 31.91023 -14.61594      44.14591 
1 1 1 -8  -8  25 o 133.4914 21.00980 456.3852       129.6595 533.0151       179.7958 373.3511       187.1582 141.3980 27.58759 116.1664 32.45396 25.23165       42.59500 
1 1 1 -8  -8  26 o 191.7604 15.78012 912.1523       143.3906 1080.054       210.2384 766.1151       196.0720 205.5864 21.71779 171.2270 24.66188 34.35941       32.86139 
1 1 1 -8  -8  27 o 55.73868 24.15590 1.460223       118.8323 -129.5740      186.7312 90.64468       154.0527 58.43171 27.25092 72.44272 29.10659 -14.01101      39.87237 
1 1 1 -8  -8  28 f 234.7538 15.88730 1379.836       177.2578 1310.241       266.2210 1435.261       237.5778 220.9666 25.67810 235.2525 21.35583 -14.28590      33.39815 
1 1 1 -8  -8  29 o 47.96921 23.22435 -216.3582      163.7697 -336.8134      204.7946 -2.694410      272.7541 50.14355 24.63865 76.48550 34.64606 -26.34195      42.51368 
1 1 1 -8  -8  30 o 151.6211 33.15193 703.6342       233.5986 459.9050       374.1585 859.3226       299.0406 111.5993 45.17557 160.7025 39.26287 -49.10313      59.85320 
1 1 1 -8  -8  31 o 83.06908 34.79262 183.0814       232.1418 186.9022       356.8483 180.2780       305.6598 88.52869 39.90924 86.12144 37.99316 2.407257       55.10197 
1 1 1 -8  -7  1  o 609.3000 7.619331 8885.604       221.9507 9056.688       315.0350 8716.994       312.7487 614.7596 10.71877 603.1024 10.84666 11.65723       15.24934 
1 1 1 -8  -7  2  o 430.2253 7.225550 4429.510       148.6193 4450.299       211.8805 4409.375       208.5187 430.9871 10.28297 429.0118 10.16641 1.975281       14.46013 
1 1 1 -8  -7  3  o 401.8187 8.919358 3866.103       171.3453 3418.965       389.8232 3973.177       190.7609 375.6809 21.79764 407.2739 9.797029 -31.59302      23.89809 
1 1 1 -8  -7  4  o 121.8304 8.864639 357.2737       51.27948 365.6046       75.06329 349.9834       70.21911 122.7719 12.98507 120.1703 12.40007 2.601593       17.95477 
1 1 1 -8  -7  5  o 327.4177 7.294997 2565.594       114.1920 2631.963       166.9740 2507.279       156.5165 331.2480 10.55704 323.3426 10.13738 7.905457       14.63617 
1 1 1 -8  -7  6  o 244.6366 8.917584 1435.054       104.1237 1519.542       131.7448 1294.453       169.9528 251.5483 10.98124 231.5804 15.43851 19.96785       18.94558 
1 1 1 -8  -7  7  o 416.6014 15.25731 4176.531       303.3702 4334.092       431.9568 4023.169       426.1624 423.0461 21.42697 407.4164 21.96020 15.62976       30.68168 
1 1 1 -8  -7  8  o 367.0871 14.41699 3242.178       252.5263 3118.106       359.8503 3362.563       354.4630 358.6580 21.07909 372.7576 19.96287 -14.09961      29.03178 
1 1 1 -8  -7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -7  10 o 519.4521 11.07698 6471.574       275.0904 6351.227       300.8314 7085.898       679.6794 514.4126 12.23216 538.7510 26.46910 -24.33838      29.15886 
1 1 1 -8  -7  11 o 217.0840 10.54466 1132.892       109.1108 907.6156       162.7881 1316.653       147.0250 193.1413 17.83065 233.7140 13.21206 -40.57272      22.19213 
1 1 1 -8  -7  12 o 354.6880 14.20262 3032.639       240.3501 2859.205       342.1080 3201.679       337.7467 342.6769 20.98250 363.1217 19.52679 -20.44482      28.66288 
1 1 1 -8  -7  13 o 348.8403 13.91774 2935.106       231.6493 3035.645       330.8836 2838.459       324.4154 353.2195 19.67166 341.4307 19.96131 11.78888       28.02549 
1 1 1 -8  -7  14 o 180.0070 12.63119 783.6302       108.0131 686.0059       177.7596 840.7739       135.9997 166.0593 23.00775 185.9723 15.43505 -19.91299      27.70555 
1 1 1 -8  -7  15 o 374.4191 14.62802 3390.947       261.3458 3504.164       374.0507 3282.965       365.3022 378.4020 20.75559 366.1470 20.95588 12.25497       29.49481 
1 1 1 -8  -7  16 o 108.2100 17.51080 291.4368       87.49746 312.1765       118.6349 266.6988       129.5666 110.7350 23.15491 101.8286 26.39796 8.906395       35.11414 
1 1 1 -8  -7  17 f 202.2073 12.47843 990.1337       120.0451 1218.057       199.9973 861.7712       150.0892 222.5957 18.97382 187.5502 16.92055 35.04555       25.42264 
1 1 1 -8  -7  18 o 125.0548 14.37246 383.4813       84.36867 436.6585       138.6400 352.2064       106.3221 131.2659 22.92548 118.5436 19.43293 12.72222       30.05356 
1 1 1 -8  -7  19 o 390.5934 11.37907 3681.611       212.2643 4538.723       431.3369 3407.715       243.8322 428.9163 21.09943 375.0026 13.62294 53.91367       25.11514 
1 1 1 -8  -7  20 o 57.06536 21.86795 56.95858       83.49721 -110.4624      225.3391 83.60390       89.89635 68.45013 31.19573 63.23378 22.99130 5.216343       38.75272 
1 1 1 -8  -7  21 o 126.7982 23.18469 411.4181       135.3698 137.6065       234.5531 548.1740       165.7632 90.10173 36.01273 146.3104 24.56749 -56.20866      43.59447 
1 1 1 -8  -7  22 o 136.6740 17.15783 464.1960       109.6488 527.2125       239.0338 447.4023       123.3975 138.6243 35.81400 133.2575 19.98447 5.366791       41.01245 
1 1 1 -8  -7  23 o 133.8493 15.79922 443.3149       99.15601 464.3421       163.1498 430.9988       124.8627 133.2809 26.53720 130.4068 20.71966 2.874115       33.66790 
1 1 1 -8  -7  24 o 144.3288 18.84430 522.0413       126.9269 940.1213       175.5382 63.94794       183.7464 194.1942 19.15640 75.23146 31.18711 118.9628       36.60060 
1 1 1 -8  -7  25 o 284.5833 13.19385 1976.203       179.0217 2434.914       294.0977 1706.184       225.6417 312.0809 19.81364 262.0095 18.12504 50.07141       26.85326 
1 1 1 -8  -7  26 o 242.4663 15.56295 1452.218       179.4536 1540.795       337.8449 1417.405       211.8036 239.7007 30.14600 237.7969 18.78268 1.903885       35.51859 
1 1 1 -8  -7  27 o 160.1142 21.91511 661.6592       163.3598 812.3322       335.1710 614.7150       187.0854 162.5791 42.61233 151.5853 26.79498 10.99376       50.33668 
1 1 1 -8  -7  28 o 82.94426 29.63799 175.1225       148.6117 328.0664       343.7586 139.9677       164.8086 109.0435 43.59286 79.33918 30.63974 29.70431       53.28350 
1 1 1 -8  -7  29 o 115.9364 26.12491 374.4927       141.3237 263.6290       227.5202 444.1373       180.3304 96.23972 36.28043 123.4026 30.69323 -27.16286      47.52204 
1 1 1 -8  -7  30 o 63.00672 25.99734 62.48761       126.8671 140.6576       185.8911 -5.667763      173.5756 78.84035 31.86840 63.20154 28.21270 15.63881       42.56232 
1 1 1 -8  -7  31 o 136.2020 23.72002 518.1198       148.8475 646.8840       218.7969 407.1855       203.0844 143.7045 32.59817 111.0445 34.56827 32.66008       47.51427 
1 1 1 -8  -7  32 o 101.4550 29.18788 324.1194       149.1577 327.6859       214.7014 320.7922       207.3713 96.70185 35.47305 96.19741 34.92774 0.5044403      49.78236 
1 1 1 -8  -6  1  o 576.3358 19.99265 8023.522       550.0423 8333.732       778.1588 7713.761       777.5962 584.5239 27.92644 561.8521 29.04696 22.67181       40.29407 
1 1 1 -8  -6  2  o 602.2838 7.659046 8682.597       220.5384 8191.929       312.9424 9166.708       310.8449 584.5833 11.19721 618.4890 10.51244 -33.90570      15.35867 
1 1 1 -8  -6  3  o 600.6484 20.87477 8715.867       598.5355 8747.296       846.8167 8684.492       846.0977 598.5343 29.68584 596.3409 29.77097 2.193359       42.04236 
1 1 1 -8  -6  4  o 327.0670 12.68875 2569.748       198.0338 2742.787       280.9818 2398.957       279.1514 337.1866 17.48986 315.0877 18.61398 22.09888       25.54165 
1 1 1 -8  -6  5  o 578.1099 10.15009 8006.910       280.5361 8558.068       798.1953 7929.232       299.6534 592.6131 28.25415 575.2014 10.89660 17.41168       30.28255 
1 1 1 -8  -6  6  o 429.8048 15.60180 4445.374       320.0613 4637.940       453.7187 4254.636       451.5591 437.6754 21.75150 418.9329 22.62960 18.74246       31.38831 
1 1 1 -8  -6  7  o 310.5924 9.233040 2312.491       136.9498 2360.154       162.3500 2194.906       255.0012 313.6139 10.84432 301.4278 17.77389 12.18613       20.82092 
1 1 1 -8  -6  8  o 765.7893 25.85131 14252.94       945.0988 14863.96       1337.644 13643.87       1335.502 776.0031 36.15465 742.3483 37.75346 33.65479       52.27315 
1 1 1 -8  -6  9  o 340.5866 13.55832 2789.737       220.3297 2829.595       313.3822 2750.777       309.8344 341.9756 19.24540 337.1522 19.30252 4.823425       27.25753 
1 1 1 -8  -6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -6  11 o 169.0689 11.63042 689.0869       93.43586 344.4670       136.2179 995.3064       128.4045 116.8513 25.13022 203.1200 13.29577 -86.26868      28.43071 
1 1 1 -8  -6  12 o 295.1922 11.29659 2094.389       159.1323 2147.598       208.1054 2019.470       246.9387 298.3787 14.63301 288.6467 17.98361 9.731995       23.18481 
1 1 1 -8  -6  13 o 301.3899 13.33380 2189.503       191.6525 1851.909       275.0681 2508.010       267.1791 275.3773 21.05276 321.6927 17.43731 -46.31549      27.33639 
1 1 1 -8  -6  14 o 255.4666 12.38821 1573.433       150.8532 1489.607       219.4951 1648.473       207.6727 247.1986 18.71146 260.5997 16.75734 -13.40115      25.11827 
1 1 1 -8  -6  15 o 42.19444 17.66374 7.884539       59.78748 1.405837       96.97827 11.85665       75.93489 51.95527 22.15714 47.75133 19.94231 4.203938       29.80997 
1 1 1 -8  -6  16 o 357.5873 12.20051 3083.724       208.2725 3007.773       258.6786 3223.697       351.1682 352.2341 15.39825 362.8295 20.32563 -10.59543      25.49975 
1 1 1 -8  -6  17 o 228.6573 12.18724 1264.061       132.7477 1553.630       204.6205 1053.616       174.4384 252.2696 17.06631 207.3366 17.76893 44.93294       24.63725 
1 1 1 -8  -6  18 o 309.6830 13.43271 2322.649       198.4062 2449.261       289.4005 2210.364       272.5358 315.8990 19.25351 300.1074 19.09399 15.79163       27.11601 
1 1 1 -8  -6  19 o 127.0643 21.36253 407.3336       125.1732 551.2449       214.9675 333.5075       153.9680 144.5713 31.95295 112.9999 28.50660 31.57135       42.82076 
1 1 1 -8  -6  20 o 147.4489 15.99483 534.9845       110.9495 -1.867547      217.5025 723.8129       128.9943 75.22572 32.64039 171.7823 15.88658 -96.55653      36.30122 
1 1 1 -8  -6  21 o 340.8487 10.83459 2804.724       176.3317 3335.385       282.4245 2465.715       225.7350 369.6174 16.02043 318.1674 14.88126 51.45004       21.86564 
1 1 1 -8  -6  22 o 107.9247 20.47437 296.7616       101.7788 -673.2238      239.0332 511.5636       112.4851 47.39259 23.81068 143.7341 16.67845 -96.34151      29.07093 
1 1 1 -8  -6  23 o 139.8589 17.71464 487.5842       115.7958 548.6117       261.4586 472.6930       129.1530 140.1496 38.05101 136.7936 20.36860 3.356003       43.15970 
1 1 1 -8  -6  24 o 222.5403 15.27244 1214.430       161.5045 1183.055       308.2668 1226.301       189.6098 211.4240 31.45403 222.5651 17.97222 -11.14114      36.22646 
1 1 1 -8  -6  25 o 180.5647 19.81049 818.7908       168.2111 592.5233       317.8047 906.8486       198.2591 142.1694 43.05923 188.9176 22.38543 -46.74812      48.53045 
1 1 1 -8  -6  26 o 231.7439 16.61000 1332.179       182.8086 1462.921       344.6812 1281.008       215.6356 232.3186 31.87240 225.2703 20.23749 7.048248       37.75455 
1 1 1 -8  -6  27 o 145.6093 17.81419 534.9276       121.4323 413.8853       223.8917 585.3736       144.5383 119.6393 36.12132 151.1677 20.52937 -31.52844      41.54762 
1 1 1 -8  -6  28 o 63.21393 22.43736 93.04025       85.03718 221.0934       178.9938 55.71304       96.63972 91.63200 32.54979 58.34201 23.18276 33.28999       39.96160 
1 1 1 -8  -6  29 o 45.93839 20.15544 -8.898158      84.94147 -284.7558      189.0100 60.91405       95.08413 49.83369 24.31319 58.34288 23.05508 -8.509190      33.50624 
1 1 1 -8  -6  30 o 76.54652 23.56632 159.8753       94.68742 394.9609       199.1767 91.23285       107.6271 112.7448 34.07574 64.53537 24.80279 48.20939       42.14658 
1 1 1 -8  -6  31 o 207.7248 16.56065 1107.496       163.1045 1304.574       361.1469 1056.998       182.8103 197.2923 39.66499 200.4838 19.31139 -3.191559      44.11622 
1 1 1 -8  -6  32 o 137.3819 21.35592 520.8038       135.7126 669.1946       379.6895 499.0691       145.3120 119.3905 46.39666 132.3398 23.84380 -12.94932      52.16490 
1 1 1 -8  -5  1  o 332.3586 8.660162 2647.305       137.4900 2645.657       291.8062 2647.775       155.8768 330.7500 18.52788 332.2665 9.823442 -1.516510      20.97099 
1 1 1 -8  -5  2  o 300.6951 8.611859 2166.935       123.6756 2274.371       250.4121 2132.273       142.2334 306.9236 17.13342 298.1456 9.992614 8.777985       19.83447 
1 1 1 -8  -5  3  o 100.3859 7.804006 242.6739       37.16002 335.0758       60.23592 185.9020       47.21519 117.7474 10.82121 87.29674 11.59975 30.45071       15.86357 
1 1 1 -8  -5  4  o 484.4930 9.592453 5622.449       222.1905 5944.329       573.3642 5565.570       241.0238 494.9113 24.30666 481.9446 10.46055 12.96677       26.46199 
1 1 1 -8  -5  5  o 65.51971 9.719053 105.0517       29.52271 170.4195       46.14696 59.76057       38.41205 83.47633 11.89951 49.68593 14.95293 33.79039       19.10991 
1 1 1 -8  -5  6  o 196.2082 8.411703 923.3778       78.72260 962.0610       134.1196 903.0460       97.23435 199.6835 14.14034 193.8444 10.53155 5.839035       17.63130 
1 1 1 -8  -5  7  o 231.5414 7.676728 1284.655       84.86179 1396.258       127.6476 1196.262       113.6020 241.0936 11.10418 223.1642 10.67862 17.92931       15.40570 
1 1 1 -8  -5  8  o 403.2865 9.419474 3895.837       181.6137 4065.129       415.0049 3855.736       201.9814 409.6992 21.26023 400.9635 10.54570 8.735748       23.73203 
1 1 1 -8  -5  9  o 126.6014 10.12346 386.5202       60.76374 456.1674       91.13599 330.7813       81.53001 137.0994 14.10522 116.3733 15.00268 20.72617       20.59217 
1 1 1 -8  -5  10 o 315.0876 12.82933 2387.093       192.8566 2416.517       274.5688 2358.439       270.9482 316.0959 18.24625 312.2655 18.22831 3.830444       25.79141 
1 1 1 -8  -5  11 o 397.4333 10.70576 3790.294       203.2331 4585.159       433.0780 3565.815       230.1486 434.9017 20.89000 385.2032 12.51373 49.69849       24.35130 
1 1 1 -8  -5  12 o 205.4909 12.45400 1017.773       121.7773 898.6770       190.4021 1100.214       158.4146 191.4950 21.14919 213.1909 15.65149 -21.69586      26.31079 
1 1 1 -8  -5  13 o 156.1366 12.44054 589.5079       92.09766 645.2269       138.3845 545.2077       123.3925 162.4040 18.13206 149.2240 17.63624 13.17998       25.29444 
1 1 1 -8  -5  14 o 343.4955 10.02308 2833.941       164.4243 2226.135       248.4892 3307.336       219.2990 302.9380 17.22818 370.6465 12.39309 -67.70850      21.22260 
1 1 1 -8  -5  15 f 167.5412 14.00723 681.4030       111.1714 469.1072       154.6055 908.6922       159.9719 136.3363 24.62551 192.9015 17.53753 -56.56514      30.23211 
1 1 1 -8  -5  16 o 280.4220 12.99942 1899.635       173.8045 1924.411       254.3527 1877.934       238.0499 280.5741 19.07527 277.4742 18.04258 3.099945       26.25644 
1 1 1 -8  -5  17 o 211.5929 12.79321 1083.964       128.8117 1725.982       222.4747 760.1994       157.9870 265.8365 17.60397 175.5508 19.13320 90.28575       25.99960 
1 1 1 -8  -5  18 o 78.11842 23.16276 153.2981       92.69886 102.2692       118.5777 233.4968       148.6549 71.11564 26.31439 95.88586 29.52947 -24.77022      39.55296 
1 1 1 -8  -5  19 o 207.5816 12.54255 1044.417       123.8946 1144.425       187.0308 966.2168       165.3857 215.7040 18.30903 198.2882 17.62947 17.41585       25.41690 
1 1 1 -8  -5  20 o 63.30229 21.36343 93.20366       76.67612 72.27285       130.9092 104.1343       94.60192 68.40213 27.04506 67.91309 23.70183 0.4890442      35.96126 
1 1 1 -8  -5  21 o 313.2405 11.99601 2374.289       179.3163 2608.637       310.9412 2257.517       219.4911 324.8594 20.11921 304.3371 15.13276 20.52231       25.17505 
1 1 1 -8  -5  22 o 136.7941 15.60904 461.8277       100.2579 746.5383       175.1322 323.0370       122.2769 172.1859 21.75957 111.7917 23.61946 60.39420       32.11476 
1 1 1 -8  -5  23 o 346.0256 14.57030 2921.342       240.4983 3249.935       357.8482 2650.667       324.7828 361.2641 20.80688 326.0673 20.94500 35.19681       29.52320 
1 1 1 -8  -5  24 o 176.2268 14.64459 762.0231       122.2697 1055.710       212.2838 616.2268       149.5711 204.5631 22.05418 156.3657 20.50105 48.19737       30.11113 
1 1 1 -8  -5  25 o 186.2942 19.39655 868.6621       170.2287 1162.432       323.0441 755.7299       200.2938 207.3352 33.74942 171.0026 25.25869 36.33258       42.15478 
1 1 1 -8  -5  26 o 275.8967 14.60426 1870.065       191.9485 2314.713       346.5914 1673.350       230.5306 300.0800 24.36816 258.6713 18.76879 41.40869       30.75833 
1 1 1 -8  -5  27 o 81.65813 29.09836 163.7442       143.1519 74.28631       206.2785 246.8516       198.8221 77.85849 32.71572 96.79458 34.31308 -18.93609      47.40998 
1 1 1 -8  -5  28 o 84.01768 27.19658 186.4481       124.6636 96.16511       189.7050 255.0690       165.3879 77.45404 31.85704 96.39210 31.33492 -18.93806      44.68499 
1 1 1 -8  -5  29 o 101.1966 26.83051 285.1370       131.8995 12.85621       194.8443 515.4590       179.2037 69.22420 30.44413 135.7232 28.52502 -66.49901      41.71956 
1 1 1 -8  -5  30 o 129.7851 27.81868 480.6259       167.4239 362.2544       349.8364 515.7916       190.6780 106.1305 43.41263 132.2215 30.74741 -26.09103      53.19830 
1 1 1 -8  -5  31 o 94.75065 32.14163 273.6957       173.5716 312.8446       372.1979 262.8156       196.2138 100.1947 43.08190 92.99456 33.94356 7.200104       54.84720 
1 1 1 -8  -5  32 o 64.45453 27.53937 63.28126       150.3184 236.6044       226.5656 -73.00417      200.9048 87.28646 35.21822 60.32873 28.17873 26.95773       45.10392 
1 1 1 -8  -4  1  o 196.0747 7.888944 921.9999       73.80082 950.7500       129.2701 908.0984       89.88954 198.4756 13.70751 194.4261 9.701083 4.049454       16.79305 
1 1 1 -8  -4  2  o 83.32133 8.455957 167.9480       33.21829 181.0524       49.77488 157.4246       44.60473 85.98244 12.47219 80.13374 12.01253 5.848701       17.31636 
1 1 1 -8  -4  3  o 256.8030 8.456787 1580.771       103.6863 1607.276       124.3262 1520.223       187.9102 258.8027 10.06734 250.9751 15.73996 7.827560       18.68415 
1 1 1 -8  -4  4  o 816.6260 27.76515 16231.98       1082.429 16233.92       1531.224 16230.05       1530.349 809.1682 39.70266 809.0850 39.68394 0.8312988E-01  56.13480 
1 1 1 -8  -4  5  o 77.08482 9.265315 144.3492       33.46214 141.3200       50.75968 146.6773       44.50082 75.44673 14.60032 77.23136 12.47741 -1.784630      19.20560 
1 1 1 -8  -4  6  o 264.0139 11.51272 1674.242       144.9666 1618.020       206.3317 1729.050       203.7206 258.8330 16.76410 267.7218 15.98917 -8.888855      23.16654 
1 1 1 -8  -4  7  o 476.5873 7.602501 5436.638       173.2237 5196.164       249.8232 5659.311       240.3991 465.5697 11.22379 485.9792 10.34682 -20.40952      15.26533 
1 1 1 -8  -4  8  o 363.1505 9.156698 3160.634       158.8501 2988.436       338.0954 3209.415       179.9486 351.3420 20.21333 365.8194 10.29926 -14.47739      22.68597 
1 1 1 -8  -4  9  o 400.3740 15.13705 3858.454       289.2229 3677.188       409.5316 4038.822       408.5161 389.3197 22.09321 408.3555 20.99534 -19.03577      30.47810 
1 1 1 -8  -4  10 o 237.9065 11.29355 1360.390       128.0865 1252.960       183.3277 1462.845       179.0322 227.4935 16.97829 246.1815 15.28676 -18.68800      22.84617 
1 1 1 -8  -4  11 o 249.8232 10.27463 1498.688       122.4558 1466.926       158.0153 1546.443       193.7568 246.7580 13.44508 252.9592 16.10494 -6.201157      20.97950 
1 1 1 -8  -4  12 o 500.3902 10.75198 6005.873       257.2204 5740.765       606.2867 6064.064       284.0512 484.4742 26.27407 502.6301 11.82061 -18.15598      28.81064 
1 1 1 -8  -4  13 o 381.4033 9.800202 3490.838       178.5533 3014.572       275.3880 3836.263       234.5296 353.1675 16.35448 399.4042 12.29686 -46.23672      20.46171 
1 1 1 -8  -4  14 o 106.5460 20.30491 284.4624       99.65512 289.2294       133.1142 278.3838       150.3157 106.5291 26.29732 104.6197 29.03159 1.909401       39.17119 
1 1 1 -8  -4  15 o 168.4025 12.94247 686.7972       103.4027 468.1696       156.0359 857.9860       138.0733 136.1494 24.88864 187.8506 15.51220 -51.70119      29.32700 
1 1 1 -8  -4  16 o 45.04461 20.12905 -35.18589      88.60730 -16.41539      111.0462 -68.08147      147.0057 53.30515 23.22355 56.77433 25.60283 -3.469189      34.56643 
1 1 1 -8  -4  17 o 417.7597 12.40360 4211.385       247.4579 4214.707       297.2975 4203.893       446.4828 417.0472 14.93480 412.8769 22.70655 4.170258       27.17785 
1 1 1 -8  -4  18 o 87.98957 22.31435 198.0042       93.99141 454.0486       219.3798 140.4370       104.0223 130.6702 34.58257 76.22230 24.85587 54.44794       42.58836 
1 1 1 -8  -4  19 o 226.4608 14.17704 1246.958       152.7224 1062.292       255.3328 1349.826       190.5698 204.5174 26.75456 234.7730 17.09558 -30.25560      31.75005 
1 1 1 -8  -4  20 o 157.5438 19.01876 616.4542       140.3537 655.8051       259.9651 600.2651       166.7439 156.1202 35.61918 153.9952 23.38221 2.125015       42.60814 
1 1 1 -8  -4  21 o 48.57085 20.29494 14.06967       78.70383 -439.1910      269.0045 56.50077       82.30528 59.66313 29.08605 56.68149 21.71371 2.981640       36.29715 
1 1 1 -8  -4  22 o 336.5026 14.11150 2755.930       226.5191 3141.319       341.1587 2452.071       302.9306 356.0840 20.12178 314.4002 20.26144 41.68378       28.55542 
1 1 1 -8  -4  23 o 183.8058 13.77669 825.7338       120.1824 866.1093       200.9464 803.2483       149.9590 184.6645 23.27691 180.0150 17.65096 4.649475       29.21252 
1 1 1 -8  -4  24 o 189.5381 14.15838 879.6365       127.3706 815.9710       217.2631 912.9761       157.2225 177.4430 26.41461 192.0098 17.31283 -14.56679      31.58268 
1 1 1 -8  -4  25 o 44.41828 20.98219 -122.5234      116.9840 -320.3599      174.1351 40.20545       157.9302 46.66723 22.88767 68.35818 28.66868 -21.69094      36.68431 
1 1 1 -8  -4  26 o 126.3518 26.66666 425.3790       156.0174 485.3998       318.5733 406.4414       178.9457 128.3955 43.54460 121.7207 30.74605 6.674805       53.30527 
1 1 1 -8  -4  27 o 69.35874 28.70003 61.31531       155.2154 -157.4763      341.5370 118.2658       174.2493 79.59373 37.03102 78.57802 31.15987 1.015717       48.39663 
1 1 1 -8  -4  28 o 126.1081 25.37649 426.9187       147.6935 405.1723       232.4720 441.6368       191.2505 117.2952 37.05288 124.7444 31.93523 -7.449249      48.91599 
1 1 1 -8  -4  29 o 114.1556 29.63216 370.1446       163.1174 406.0487       219.8339 326.1609       243.3148 116.1369 35.93490 105.3992 37.89213 10.73772       52.22194 
1 1 1 -8  -4  30 o 63.95415 29.39824 -64.42363      205.9094 -319.1881      360.6525 58.78264       250.8048 71.06825 34.42132 78.01435 34.41613 -6.946098      48.67542 
1 1 1 -8  -4  31 o 86.61926 27.84813 217.2106       130.8525 357.8063       254.4506 166.6605       152.5733 103.6651 38.51208 79.02425 29.72739 24.64082       48.65078 
1 1 1 -8  -4  32 o 54.25246 24.32789 -10.24162      130.6425 333.1445       258.9160 -127.5266      151.3174 97.16291 38.15181 49.21152 23.42492 47.95139       44.76927 
1 1 1 -8  -3  1  o 236.5388 6.814274 1340.206       76.97991 1388.359       110.6557 1295.047       107.1605 240.5115 9.642971 232.2723 9.671193 8.239136       13.65719 
1 1 1 -8  -3  2  o 288.9543 6.887556 1998.222       95.14864 2091.845       136.7435 1910.348       132.4789 295.3186 9.698326 282.1883 9.834758 13.13037       13.81231 
1 1 1 -8  -3  3  o 82.01598 8.228191 162.6629       31.82814 173.6804       52.58849 156.2944       39.98257 84.00842 13.55488 80.04610 10.71675 3.962318       17.27956 
1 1 1 -8  -3  4  o 377.7099 7.139894 3414.226       128.9314 3514.657       185.5451 3320.453       179.2887 382.8684 10.14552 372.1393 10.08648 10.72913       14.30625 
1 1 1 -8  -3  5  o 330.8835 8.597078 2623.198       135.8833 2758.339       158.3029 2244.870       264.8684 339.1927 9.772082 304.7885 18.26077 34.40414       20.71110 
1 1 1 -8  -3  6  o 235.1503 10.63304 1327.840       119.2302 1379.391       169.9441 1277.867       167.3205 239.1623 14.93753 230.1072 15.29618 9.055038       21.37996 
1 1 1 -8  -3  7  o 149.2315 8.560026 534.9899       60.81605 526.6907       92.31809 541.3528       80.83504 147.5564 13.22656 149.8394 11.36890 -2.283051      17.44115 
1 1 1 -8  -3  8  o 163.3345 8.803677 640.7371       68.49240 642.1367       103.5985 639.6503       91.29048 163.0089 13.41186 162.8903 11.80260 0.1186066      17.86559 
1 1 1 -8  -3  9  o 420.1437 7.711919 4225.761       154.9062 4378.689       225.0513 4088.075       213.5424 427.2139 11.02785 412.8107 10.82929 14.40320       15.45597 
1 1 1 -8  -3  10 o 349.2727 13.85810 2935.070       230.9478 2799.768       328.2650 3067.677       324.9789 339.8517 20.29597 356.0555 19.16160 -16.20389      27.91224 
1 1 1 -8  -3  11 o 261.3268 10.44797 1639.943       130.2710 1554.933       165.3845 1778.906       211.4525 254.0344 13.66772 271.3183 16.37768 -17.28391      21.33155 
1 1 1 -8  -3  12 o 275.2828 9.749268 1818.872       128.1071 1708.707       225.3479 1871.474       155.7168 265.5200 17.85584 278.9934 11.70034 -13.47336      21.34781 
1 1 1 -8  -3  13 o 162.7010 12.51960 639.8304       96.63599 810.2394       150.3942 519.9976       126.1167 182.3627 17.46300 145.5159 18.54925 36.84682       25.47609 
1 1 1 -8  -3  14 o 363.5687 12.02978 3180.883       208.8114 3438.925       268.4643 2785.699       332.2310 377.3809 14.90918 337.9872 20.65909 39.39368       25.47708 
1 1 1 -8  -3  15 o 360.0406 12.44422 3123.406       213.8819 3359.740       282.8664 2807.916       326.8223 372.5042 15.92005 339.1219 20.25023 33.38226       25.75888 
1 1 1 -8  -3  16 o 235.3761 11.35405 1335.848       127.3910 1521.950       254.4337 1273.588       147.1657 248.5882 21.62340 229.4053 13.47759 19.18289       25.47973 
1 1 1 -8  -3  17 o 123.9027 17.43484 380.1429       100.4253 -21.02777      245.8990 460.4490       110.0186 78.84820 34.45137 136.6297 17.22475 -57.78150      38.51738 
1 1 1 -8  -3  18 o 192.3884 14.64893 901.6664       133.7260 866.7274       271.3798 912.8708       153.6792 182.3087 32.31907 193.0181 16.82149 -10.70934      36.43467 
1 1 1 -8  -3  19 o 297.2661 11.93683 2136.004       169.3007 2324.088       293.1533 2041.881       207.3799 307.0559 20.07975 289.6945 15.02466 17.36142       25.07861 
1 1 1 -8  -3  20 o 108.1282 18.12329 293.1910       90.37594 258.7206       163.1933 308.4393       108.5399 100.1976 30.95427 110.0824 21.39448 -9.884834      37.62832 
1 1 1 -8  -3  21 o 331.7548 13.97807 2675.064       221.2068 3074.169       329.2599 2346.731       298.6435 352.9349 19.59040 307.8107 20.40894 45.12418       28.28972 
1 1 1 -8  -3  22 o 64.20667 22.44633 93.25455       84.86617 141.8311       162.1360 74.92358       99.59987 81.98475 30.68588 63.09327 23.95466 18.89148       38.92876 
1 1 1 -8  -3  23 o 210.4431 13.92398 1081.845       139.3020 987.7274       224.9889 1140.354       177.3933 196.7129 24.44933 214.8051 17.42310 -18.09222      30.02223 
1 1 1 -8  -3  24 o 281.4887 13.76091 1933.134       184.6284 1777.801       337.7191 1999.348       220.4955 262.2834 27.33308 285.1595 16.24064 -22.87610      31.79395 
1 1 1 -8  -3  25 o 41.34837 20.10509 -207.4914      126.2397 -288.9816      190.0680 -143.1672      168.8664 51.21757 24.84956 54.89028 25.70214 -3.672707      35.75053 
1 1 1 -8  -3  26 o 301.6800 14.26036 2230.830       205.0946 2178.344       328.5234 2264.350       262.5410 291.8088 23.75357 301.5541 18.29666 -9.745300      29.98333 
1 1 1 -8  -3  27 o 93.62503 32.57758 230.5988       178.6478 518.4883       286.3297 47.09435       228.6003 130.9718 41.08752 78.23536 33.70292 52.73644       53.14199 
1 1 1 -8  -3  28 o 109.4376 25.11322 323.3013       128.6034 269.6935       189.7730 368.8269       174.8834 98.77096 33.60686 114.2034 31.16711 -15.43246      45.83459 
1 1 1 -8  -3  29 o 79.91430 26.32435 169.1894       116.5496 41.49911       187.9744 248.9354       148.5505 70.96942 30.56720 94.36378 29.59349 -23.39436      42.54560 
1 1 1 -8  -3  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -3  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -3  32 o 63.98299 27.21889 62.93452       145.7133 0.000000       0.000000 62.93452       145.7133 ?        ?        63.98299 27.21889 0.000000       27.21889 
1 1 1 -8  -3  33 o 85.95897 30.25939 240.9505       154.4053 54.14052       675.7788 251.2402       158.6007 86.95047 43.09813 87.31552 30.67335 -0.3650513     52.89899 
1 1 1 -8  -2  1  o 157.1809 6.753642 592.3414       50.63276 632.5718       73.83767 556.6330       69.56433 162.2075 9.563797 152.1192 9.614390 10.08827       13.56107 
1 1 1 -8  -2  2  o 455.3050 7.124899 4961.500       155.0920 5168.627       221.4989 4762.279       217.2299 464.4397 9.975479 445.7859 10.19260 18.65378       14.26181 
1 1 1 -8  -2  3  o 675.8258 7.755005 10933.27       250.5678 11339.51       357.2706 10540.01       351.5122 687.8085 10.86479 663.0809 11.08832 24.72760       15.52400 
1 1 1 -8  -2  4  f 460.9160 7.324928 5084.500       161.4111 5006.326       231.2758 5158.737       225.3780 457.0580 10.58402 464.0091 10.15960 -6.951111      14.67102 
1 1 1 -8  -2  5  o 437.0011 7.297119 4570.491       152.4552 4678.300       219.4938 4469.999       211.9144 441.8538 10.39047 431.9178 10.26245 9.936066       14.60410 
1 1 1 -8  -2  6  f 615.1715 7.748679 9058.667       227.8936 9346.379       327.0702 8787.182       317.7139 624.4384 10.95577 605.4671 10.97583 18.97131       15.50799 
1 1 1 -8  -2  7  o 307.4288 9.414758 2266.058       138.2133 2235.741       162.5598 2345.147       262.5582 305.1776 11.16051 311.5870 17.69814 -6.409424      20.92322 
1 1 1 -8  -2  8  o 399.6951 15.03555 3845.054       286.8017 3831.100       407.0250 3858.815       404.1876 397.5617 21.49444 399.0601 21.26213 -1.498413      30.23391 
1 1 1 -8  -2  9  o 672.9023 10.74269 10855.12       345.5997 10975.62       1049.339 10840.45       366.0208 667.8372 32.96713 672.3281 11.38718 -4.490906      34.87835 
1 1 1 -8  -2  10 o 203.2423 10.62713 993.0513       102.9027 976.5822       148.6600 1008.202       142.5830 200.8860 15.60097 204.2687 14.69844 -3.382690      21.43442 
1 1 1 -8  -2  11 o 291.1569 8.515349 2032.289       118.4053 2064.851       178.2800 2006.591       158.3813 292.9603 12.75934 288.9667 11.48719 3.993561       17.16847 
1 1 1 -8  -2  12 o 65.54444 20.42029 103.3745       70.85185 154.3570       122.2318 77.57671       86.94923 81.32970 26.96528 62.21943 22.61294 19.11028       35.19192 
1 1 1 -8  -2  13 o 227.3674 13.42322 1247.756       145.2634 1124.059       245.4300 1314.454       180.2206 213.3177 24.51018 232.8680 16.29049 -19.55028      29.43007 
1 1 1 -8  -2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -2  15 o 210.7525 14.10511 1075.929       141.3026 1469.822       263.0253 916.1308       167.5310 244.1359 22.79863 193.4809 18.32985 50.65500       29.25339 
1 1 1 -8  -2  16 o 140.3657 14.30714 480.6456       94.67041 698.9594       164.2917 372.1201       115.8353 167.9320 20.91525 121.8876 20.61207 46.04436       29.36503 
1 1 1 -8  -2  17 o 352.0338 11.50318 2988.159       193.3425 3031.676       362.8831 2970.909       228.4713 350.7499 21.74714 350.3962 13.66461 0.3537292      25.68385 
1 1 1 -8  -2  18 o 234.8337 13.05955 1336.688       146.0438 1382.440       230.5515 1306.026       188.7408 236.4549 20.59984 230.9454 17.21807 5.509506       26.84801 
1 1 1 -8  -2  19 o 182.4523 15.46393 814.3539       133.6200 566.9454       277.5870 888.9702       152.4434 143.9703 39.25648 190.2630 16.93573 -46.29269      42.75383 
1 1 1 -8  -2  20 o 111.0297 20.79069 312.9283       106.3063 124.7974       281.7948 344.1449       114.7877 94.56326 38.85331 116.3846 21.41864 -21.82133      44.36595 
1 1 1 -8  -2  21 o 342.5670 14.96891 2859.903       244.5650 2740.363       347.9293 2976.652       343.8413 331.6265 22.07049 346.4253 20.85721 -14.79880      30.36659 
1 1 1 -8  -2  22 o 192.6816 16.75643 915.1262       152.8248 832.0266       189.8267 1068.203       257.6400 181.5393 22.34222 203.6245 27.14040 -22.08521      35.15361 
1 1 1 -8  -2  23 f 63.10151 28.24650 -50.61797      175.2838 -394.5209      246.4882 301.2140       249.3135 57.15307 27.85790 108.2536 38.41903 -51.10054      47.45613 
1 1 1 -8  -2  24 o 167.8822 19.41913 707.0140       152.9926 628.1380       186.6632 868.4482       267.0446 155.2626 26.06990 179.5757 32.29192 -24.31306      41.50190 
1 1 1 -8  -2  25 o 268.5449 15.82368 1774.023       202.2571 2030.276       276.0798 1477.162       297.1505 284.7385 20.41607 238.9761 26.45067 45.76239       33.41338 
1 1 1 -8  -2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -2  28 o 218.0076 20.38951 1215.630       210.0483 1331.632       579.0632 1198.054       225.4000 184.9166 58.48725 215.1099 22.23745 -30.19331      62.57206 
1 1 1 -8  -2  29 f 68.33964 27.95281 74.87888       145.0291 -12.83648      347.1170 93.42922       159.6298 84.96606 38.72100 72.49677 29.44869 12.46929       48.64711 
1 1 1 -8  -2  30 o 149.5849 21.88102 597.9545       151.8536 225.2078       360.6819 678.2610       167.4144 96.54012 41.95940 158.8466 22.68869 -62.30650      47.70082 
1 1 1 -8  -2  31 o 77.47918 33.72477 95.80290       233.7268 0.000000       0.000000 95.80290       233.7268 ?        ?        77.47918 33.72477 0.000000       33.72477 
1 1 1 -8  -2  32 o 204.3920 22.94880 1162.115       220.3808 1465.283       405.1606 1034.730       262.6308 196.0224 44.28126 182.7079 31.18464 13.31441       54.16006 
1 1 1 -8  -2  33 o 169.1235 23.01302 819.0439       181.2515 973.0112       588.0616 802.8819       190.5272 113.4840 51.18912 165.2361 24.89002 -51.75211      56.91958 
1 1 1 -8  -1  1  o 888.5758 8.471674 18906.31       359.8919 19232.42       511.2943 18586.08       506.6654 895.4544 11.94316 880.2552 12.03938 15.19922       16.95835 
1 1 1 -8  -1  2  o 592.3317 7.604779 8398.203       215.3575 8148.517       306.9548 8640.251       302.2233 583.0349 11.01213 600.4412 10.52808 -17.40625      15.23508 
1 1 1 -8  -1  3  o 477.1219 7.356609 5448.458       167.8091 5232.151       240.0978 5655.029       234.6324 467.2278 10.74858 485.8170 10.10199 -18.58914      14.75066 
1 1 1 -8  -1  4  o 299.3407 12.40898 2153.094       177.2016 2046.889       251.4931 2257.805       249.7182 290.9799 18.16884 305.8391 17.14713 -14.85916      24.98261 
1 1 1 -8  -1  5  f 42.82018 12.00917 45.18049       25.57453 40.16957       36.04217 50.26191       36.29485 42.77786 14.64387 46.16802 14.64766 -3.390156      20.71224 
1 1 1 -8  -1  6  o 230.4206 7.581792 1272.256       83.40841 1215.324       122.9689 1320.768       113.5124 224.8419 11.47755 234.5564 10.14649 -9.714478      15.31945 
1 1 1 -8  -1  7  o 183.8308 10.00126 812.1478       87.56741 779.8347       126.1922 842.1581       121.6128 179.5405 14.83375 186.7777 13.71464 -7.237228      20.20226 
1 1 1 -8  -1  8  o 378.2413 14.69159 3443.402       265.1671 3223.214       376.6526 3659.775       373.3747 364.4444 21.71576 388.8118 20.15496 -24.36743      29.62764 
1 1 1 -8  -1  9  o 244.0478 9.090136 1428.754       105.8752 1356.152       187.1883 1462.906       128.3842 236.7633 16.64300 246.7625 10.90935 -9.999176      19.89983 
1 1 1 -8  -1  10 o 205.4001 10.79641 1014.499       105.6479 993.3596       154.3735 1033.123       144.8940 202.5111 16.07651 206.7583 14.75513 -4.247177      21.82127 
1 1 1 -8  -1  11 f 448.5340 11.06785 4826.473       237.3378 4737.763       267.2580 5157.452       516.2301 443.9805 12.60370 460.1867 23.54217 -16.20621      26.70369 
1 1 1 -8  -1  12 o 260.3838 9.485089 1627.579       117.8792 1633.347       186.7599 1623.760       151.9776 260.0103 15.08879 259.7087 12.27483 0.3015747      19.45104 
1 1 1 -8  -1  13 o 311.8243 10.14750 2335.621       151.0771 2332.306       281.8294 2336.957       178.9631 309.7049 19.12732 311.6079 12.03549 -1.903015      22.59884 
1 1 1 -8  -1  14 f 375.1740 15.07315 3402.066       269.8113 3414.310       391.1166 3390.948       372.6915 373.5491 21.99768 372.6430 21.00438 0.9061584      30.41516 
1 1 1 -8  -1  15 o 291.1851 23.98290 2094.714       330.9142 2094.714       330.9142 0.000000       0.000000 291.1851 23.98290 ?        ?        0.000000       23.98290 
1 1 1 -8  -1  16 o 333.7888 14.51148 2698.177       231.0218 2654.557       329.5524 2740.327       323.9480 328.7321 21.07991 334.3174 20.36446 -5.585297      29.30997 
1 1 1 -8  -1  17 o 204.8451 13.86332 1019.149       134.9693 657.2722       191.2532 1378.182       190.5000 160.8778 25.73272 237.5103 16.88674 -76.63258      30.77880 
1 1 1 -8  -1  18 o 210.2212 15.39895 1078.571       153.6925 1273.490       247.4292 956.1168       196.1149 225.7093 23.26221 196.0144 21.26777 29.69485       31.51901 
1 1 1 -8  -1  19 o 67.23473 26.20517 75.65975       121.4043 -69.11015      140.7988 495.2551       239.7039 54.86919 24.86958 135.2989 36.30510 -80.42973      44.00632 
1 1 1 -8  -1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  -1  24 o 124.5348 32.43156 424.9337       194.9709 646.2284       301.4597 265.8051       255.6335 149.3183 40.98898 103.9226 38.60268 45.39562       56.30509 
1 1 1 -8  -1  25 o 209.3746 24.95601 1129.571       244.8973 302.9904       525.4773 1358.919       276.7952 121.6446 51.71660 229.3909 25.67928 -107.7463      57.74108 
1 1 1 -8  -1  26 o 271.8777 16.71652 1833.227       216.2335 2337.655       379.3358 1590.425       263.1786 298.9988 26.82130 249.6865 22.28072 49.31229       34.86850 
1 1 1 -8  -1  27 o 221.6474 20.37296 1251.105       213.4731 451.0295       558.4606 1388.015       231.0171 125.3193 53.29826 233.1369 20.94960 -107.8176      57.26770 
1 1 1 -8  -1  28 o 220.2763 18.85524 1231.359       196.6596 990.2844       377.3377 1321.261       230.4293 174.8284 44.91007 226.2533 21.56314 -51.42496      49.81850 
1 1 1 -8  -1  29 o 57.86646 26.16226 -43.18616      154.6510 609.9700       515.5985 -107.7578      162.1153 127.7417 52.52786 54.42814 25.38626 73.31357       58.34071 
1 1 1 -8  -1  30 o 92.83781 32.53804 255.1084       178.4014 -6.378455      274.4652 446.4087       234.7579 75.49299 34.41443 116.7507 37.27679 -41.25771      50.73373 
1 1 1 -8  -1  31 o 80.67043 33.43488 155.9099       211.1262 121.8529       461.4281 164.9276       237.4381 91.65752 42.77666 83.10757 35.02090 8.549942       55.28387 
1 1 1 -8  -1  32 o 101.9404 27.43215 316.9880       136.6166 624.2585       289.8539 229.2325       154.9016 125.0823 41.52605 85.70785 30.29597 39.37444       51.40290 
1 1 1 -8  -1  33 o 74.52298 28.79405 165.9975       145.6036 166.7640       488.3803 165.9227       152.5407 84.66151 40.76960 74.68494 29.29636 9.976570       50.20396 
1 1 1 -8  0   1  o 529.7896 10.28626 6725.760       260.5369 0.000000       0.000000 6725.760       260.5369 ?        ?        529.7896 10.28626 0.000000       10.28626 
1 1 1 -8  0   2  o 35.61176 9.438573 31.45435       16.32650 22.86645       32.97535 34.24320       18.79138 36.50522 13.80085 37.23418 10.23870 -0.7289658     17.18413 
1 1 1 -8  0   3  o 965.3367 8.915820 22316.84       411.4798 22119.87       586.3439 22507.98       577.5953 960.1415 12.77347 968.6127 12.47283 -8.471191      17.85310 
1 1 1 -8  0   4  o 692.5889 7.940912 11483.36       262.9386 11515.20       376.6930 11453.10       367.1916 693.0135 11.36940 691.1888 11.11188 1.824646       15.89771 
1 1 1 -8  0   5  o 551.0826 7.597009 7269.579       200.1556 7717.438       294.1523 6883.420       273.1397 567.3998 10.84363 535.8892 10.66109 31.51062       15.20668 
1 1 1 -8  0   6  o 527.9587 9.977954 6679.354       251.8546 7156.138       674.7469 6602.175       271.4747 542.0439 26.11426 524.7875 10.82025 17.25635       28.26716 
1 1 1 -8  0   7  o 580.5153 7.967214 8068.606       221.1202 7881.668       319.2681 8240.938       306.5424 573.2311 11.64977 586.2687 10.93668 -13.03760      15.97899 
1 1 1 -8  0   8  o 116.5108 14.52140 331.2419       79.13690 307.9230       151.0818 340.0590       92.90112 110.2818 28.46307 117.6433 17.01080 -7.361557      33.15892 
1 1 1 -8  0   9  o 227.5226 10.15433 1243.394       110.1764 1214.070       188.2424 1258.673       135.8820 223.7155 17.74529 228.6422 12.47804 -4.926712      21.69324 
1 1 1 -8  0   10 o 312.3904 10.19641 2342.297       152.0797 2524.044       290.2425 2273.515       178.5530 322.7391 18.89315 307.4978 12.16957 15.24133       22.47331 
1 1 1 -8  0   11 o 87.65759 23.64371 193.2059       101.3450 328.8310       208.1269 151.0533       116.0302 114.5822 34.87512 80.09879 26.25944 34.48341       43.65584 
1 1 1 -8  0   12 o 69.72594 23.39074 111.7031       91.92522 193.5959       133.7650 38.41840       126.5395 89.14603 28.09947 63.84089 26.11118 25.30514       38.35850 
1 1 1 -8  0   13 f 266.7034 17.61768 1728.771       223.3810 0.000000       0.000000 1728.771       223.3810 ?        ?        266.7034 17.61768 0.000000       17.61768 
1 1 1 -8  0   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0   18 o 200.2133 16.86860 983.7401       159.9652 1123.468       323.6100 938.5578       184.0197 206.5669 33.94636 194.4824 20.07974 12.08455       39.44048 
1 1 1 -8  0   19 o 165.0687 18.23422 674.7569       141.5042 856.9294       287.7183 616.6336       162.5179 179.0677 34.86240 156.3475 22.37964 22.72011       41.42747 
1 1 1 -8  0   20 o 271.2141 15.38589 1796.539       198.6819 2267.056       342.9401 1558.826       243.7575 300.3375 24.08537 250.4797 20.53542 49.85782       31.65136 
1 1 1 -8  0   21 o 446.5191 16.97859 4888.482       361.7912 5227.854       524.9106 4581.362       499.3462 456.0040 24.16359 426.4276 24.59772 29.57635       34.48082 
1 1 1 -8  0   22 o 197.7753 17.15502 967.0475       160.6051 1173.820       313.8992 893.7236       186.9247 209.9574 32.30569 188.4832 21.10567 21.47417       38.58894 
1 1 1 -8  0   23 o 162.6542 21.73536 672.1636       164.7941 1104.703       436.6730 600.3309       177.9526 190.8394 47.93191 151.9827 25.38548 38.85667       54.23920 
1 1 1 -8  0   24 o 184.4041 20.52246 857.5558       177.8673 1107.771       258.6123 632.9468       245.0223 206.3005 26.85745 151.0336 34.66798 55.26689       43.85421 
1 1 1 -8  0   25 o 75.48679 30.09875 97.76881       163.4476 164.9825       230.4815 29.76985       231.8241 90.58871 35.86407 78.22816 33.82085 12.36054       49.29586 
1 1 1 -8  0   26 o 65.56575 26.12600 71.35107       123.0693 -38.40054      239.7013 110.6391       143.4151 73.36009 32.92017 73.92916 28.57355 -0.5690689     43.59111 
1 1 1 -8  0   27 f 262.6667 15.92413 1716.246       199.0326 1798.371       324.8680 1666.898       251.8287 260.2696 26.47626 255.3792 20.80595 4.890411       33.67313 
1 1 1 -8  0   28 o 82.44010 29.13860 175.2449       143.2901 944.7217       429.5636 78.90567       151.9957 162.9436 50.20015 70.06207 28.63198 92.88158       57.79140 
1 1 1 -8  0   29 o 190.6562 23.11490 966.2048       206.3955 1178.238       298.0081 770.7392       286.1287 202.2873 31.86752 156.4301 38.51893 45.85725       49.99247 
1 1 1 -8  0   30 o 114.3811 37.54273 437.0950       237.1362 813.0799       459.5153 300.6190       276.8490 134.5499 51.36489 98.13247 39.15775 36.41740       64.58855 
1 1 1 -8  0   31 o 113.7532 26.26494 376.8185       139.9522 752.0640       287.6910 260.4865       160.1836 145.2605 40.10783 91.91782 30.87745 53.34266       50.61674 
1 1 1 -8  0   32 o 48.21608 22.51685 -70.18526      128.1832 -459.1416      284.2090 29.13913       143.6201 54.80168 27.29413 59.44857 26.14155 -4.646893      37.79352 
1 1 1 -8  0   33 o 60.87857 28.20194 -16.51803      194.8475 7.284422       301.9898 -33.49407      255.0349 71.05882 33.61012 65.72588 31.02715 5.332932       45.74192 
1 1 1 -8  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1   2  o 396.2319 9.861661 3761.653       186.8133 0.000000       0.000000 3761.653       186.8133 ?        ?        396.2319 9.861661 0.000000       9.861661 
1 1 1 -8  1   3  o 247.2265 9.689032 1466.596       114.2989 0.000000       0.000000 1466.596       114.2989 ?        ?        247.2265 9.689032 0.000000       9.689032 
1 1 1 -8  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1   10 o 296.8575 18.94093 2138.809       267.4154 2138.809       267.4154 0.000000       0.000000 296.8575 18.94093 ?        ?        0.000000       18.94093 
1 1 1 -8  1   11 o 406.3604 10.79595 3966.228       209.5539 4297.109       440.4998 3869.444       238.2384 419.8752 22.02105 401.0541 12.44016 18.82101       25.29198 
1 1 1 -8  1   12 o 49.21589 19.37372 33.96468       66.91212 111.7932       122.6603 0.9929307      79.83730 73.82466 26.85411 47.27240 20.13014 26.55226       33.56137 
1 1 1 -8  1   13 o 124.8604 15.32432 382.0017       89.56151 333.6848       147.3080 410.3357       112.8055 114.0730 27.36273 128.7044 18.89504 -14.63145      33.25269 
1 1 1 -8  1   14 o 286.2093 12.19388 1976.035       166.4706 1868.007       271.4759 2041.134       210.7427 275.8997 20.73291 290.1622 15.24508 -14.26245      25.73453 
1 1 1 -8  1   15 o 193.0943 16.78175 911.6683       153.3856 844.0322       214.8698 981.9488       219.0302 183.1815 25.20220 198.3918 23.55154 -15.21031      34.49385 
1 1 1 -8  1   16 o 98.22493 28.41731 248.1704       141.0168 93.41987       189.2999 441.1220       211.3775 80.42670 32.28210 128.9717 33.85764 -48.54501      46.78113 
1 1 1 -8  1   17 o 132.9752 24.62664 452.5965       150.7969 413.9694       202.5324 500.6482       225.8929 124.6934 33.33271 136.6873 34.55452 -11.99390      48.01129 
1 1 1 -8  1   18 o 198.3445 21.01783 980.4619       196.2748 1110.067       342.2235 916.9337       239.5974 203.5219 36.51299 189.1585 27.28161 14.36346       45.57943 
1 1 1 -8  1   19 o 290.7027 15.53141 2063.166       215.0746 2340.164       367.5676 1918.954       265.2164 304.4532 25.48639 278.3918 20.06124 26.06140       32.43470 
1 1 1 -8  1   20 f 256.9237 15.70793 1615.931       192.0219 1907.287       288.5773 1384.423       257.2368 276.1681 22.03921 234.4433 23.25645 41.72476       32.04043 
1 1 1 -8  1   21 o 220.8671 15.46730 1196.473       162.2930 1067.635       260.7546 1277.940       207.3499 203.0868 27.56713 226.7261 19.31274 -23.63931      33.65900 
1 1 1 -8  1   22 o 149.7690 20.05589 565.8798       139.9995 734.0493       265.3617 501.0176       164.8012 163.2719 35.04380 138.4587 25.84648 24.81316       43.54433 
1 1 1 -8  1   23 o 187.6487 18.93439 881.0705       167.5446 997.5547       375.3961 852.0956       187.2266 184.1089 43.36787 183.2021 21.80339 0.9068604      48.54029 
1 1 1 -8  1   24 o 326.1420 14.76275 2607.304       229.5910 2647.113       373.0560 2583.033       291.2892 321.8362 24.42792 322.0167 19.00524 -0.1804199     30.95032 
1 1 1 -8  1   25 o 52.42630 24.83352 -167.9730      166.0165 -123.3843      229.6303 -216.8008      240.2984 66.75141 30.81413 63.28890 29.94877 3.462509       42.97022 
1 1 1 -8  1   26 o 106.3500 28.93371 312.5000       150.9917 240.8563       447.5382 321.7025       160.3961 109.2991 47.12140 107.5122 30.04708 1.786934       55.88607 
1 1 1 -8  1   27 o 110.4557 27.66973 337.7551       145.7936 175.7193       306.2273 385.2485       165.7888 94.81236 39.85179 117.0851 29.60467 -22.27276      49.64475 
1 1 1 -8  1   28 o 123.6383 33.74649 452.0299       205.0119 763.0811       318.5706 232.1502       267.8441 153.6597 42.11838 96.13206 38.46321 57.52763       57.03837 
1 1 1 -8  1   29 o 61.44771 29.25357 -188.2015      236.1592 179.5314       539.6469 -275.3075      262.6440 101.9789 47.13342 61.28523 29.60808 40.69368       55.66145 
1 1 1 -8  1   30 o 113.3936 28.65709 383.0114       155.4003 325.0948       333.7964 399.0379       175.5896 99.46263 41.69392 113.5868 31.32291 -14.12413      52.14890 
1 1 1 -8  1   31 o 68.77188 27.71032 107.0587       140.0541 192.5184       299.1495 83.06878       158.4975 86.64214 37.92456 67.83446 28.60050 18.80769       47.50012 
1 1 1 -8  1   32 o 145.5435 33.60484 719.2734       229.1046 613.7165       387.2984 776.0932       284.1530 109.0694 45.25199 140.1819 40.27272 -31.11247      60.57751 
1 1 1 -8  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  2   2  o 79.78410 12.03299 156.1068       44.47237 156.1068       44.47237 0.000000       0.000000 79.78410 12.03299 ?        ?        0.000000       12.03299 
1 1 1 -8  2   3  o 306.2288 7.082505 2244.539       103.6910 2221.833       148.9159 2265.909       144.4678 304.2914 10.25093 307.3432 9.844637 -3.051788      14.21262 
1 1 1 -8  2   4  o 239.6236 7.383542 1375.830       84.48590 1372.930       121.8167 1378.517       117.2749 239.0621 10.68530 239.5948 10.26186 -0.5327148     14.81491 
1 1 1 -8  2   5  o 480.9737 7.577437 5538.472       174.2417 5386.442       250.0953 5681.871       242.8924 473.9174 11.03810 486.8246 10.43598 -12.90723      15.19043 
1 1 1 -8  2   6  o 168.0551 9.415367 678.8915       75.34550 619.8387       117.1281 720.5773       98.40907 159.7552 15.53129 172.8661 11.98154 -13.11092      19.61576 
1 1 1 -8  2   7  o 367.0990 8.089265 3227.516       141.9713 3394.788       212.0570 3091.635       191.1259 375.9052 11.81423 358.8106 11.15511 17.09454       16.24846 
1 1 1 -8  2   8  o 197.2780 10.47620 936.0508       98.45342 916.5374       153.4260 949.7111       128.3691 194.2900 16.67856 198.3013 13.62301 -4.011383      21.53511 
1 1 1 -8  2   9  o 491.2026 11.10207 5791.034       260.7193 5895.837       294.4362 5410.444       561.0905 495.2172 12.44605 470.2985 25.04493 24.91873       27.96699 
1 1 1 -8  2   10 o 125.9550 18.07957 391.2392       105.7542 537.3179       185.7365 321.1641       128.6428 145.6779 27.67999 112.5887 24.58937 33.08914       37.02457 
1 1 1 -8  2   11 o 153.1068 16.59130 572.9930       119.5075 713.9933       207.9083 503.4178       146.0458 168.5309 26.69210 142.1108 22.22325 26.42007       34.73243 
1 1 1 -8  2   12 o 367.0898 11.17872 3242.262       195.9595 3325.307       374.8300 3211.027       229.8758 368.6352 21.35960 364.8497 13.20041 3.785492       25.10943 
1 1 1 -8  2   13 o 278.1612 12.20656 1866.769       161.9345 2159.009       267.7365 1698.195       203.3444 297.3226 18.93361 264.3487 16.16697 32.97385       24.89684 
1 1 1 -8  2   14 o 96.14756 24.52498 236.8826       113.0770 304.9610       152.6663 154.1424       168.3050 108.5413 28.90584 85.49235 31.39956 23.04900       42.67880 
1 1 1 -8  2   15 o 308.3584 14.07556 2305.339       206.9584 2636.644       342.5574 2114.900       259.7156 326.5624 22.07077 293.7787 18.58667 32.78366       28.85452 
1 1 1 -8  2   16 o 301.2531 14.40926 2204.879       206.9285 2202.752       340.0620 2206.130       260.7624 296.8456 24.17080 299.8816 18.27485 -3.036011      30.30177 
1 1 1 -8  2   17 o 398.3097 13.17212 3844.697       250.4882 3859.527       448.8776 3837.990       301.8587 392.9616 24.00750 396.7106 15.94805 -3.748962      28.82187 
1 1 1 -8  2   18 o 143.1478 22.37699 519.3127       148.1317 369.6229       403.1061 542.6824       159.2758 124.4566 47.95699 145.9444 23.63488 -21.48770      53.46476 
1 1 1 -8  2   19 o 167.9118 20.22643 705.5371       159.1048 380.5746       412.4325 762.3533       172.4537 125.0801 48.42517 174.2830 21.12800 -49.20284      52.83361 
1 1 1 -8  2   20 o 91.94266 28.25184 218.6884       136.1629 493.5847       410.4342 184.6915       144.3372 133.7699 49.04998 86.56720 29.31061 47.20271       57.14029 
1 1 1 -8  2   21 o 384.4390 13.88748 3602.745       254.8268 3583.595       460.6802 3611.188       305.8854 374.6023 25.88206 383.2186 16.73602 -8.616272      30.82167 
1 1 1 -8  2   22 o 173.2008 18.60641 750.3505       151.6579 630.6915       279.5371 800.2621       180.5377 148.4263 38.92152 177.5540 21.71982 -29.12766      44.57169 
1 1 1 -8  2   23 o 353.6335 16.34438 3082.344       275.5841 3338.332       428.0551 2901.130       360.1515 360.9641 24.95798 338.6437 22.37038 22.32040       33.51619 
1 1 1 -8  2   24 o 222.5520 19.78724 1245.120       208.3428 1236.376       322.9796 1251.352       272.6544 213.2095 32.72958 218.9314 26.59407 -5.721924      42.17192 
1 1 1 -8  2   25 o 273.9248 17.53439 1871.721       228.4252 2142.092       366.8838 1700.568       291.9048 285.0215 27.25580 256.3771 24.09772 28.64441       36.38102 
1 1 1 -8  2   26 o 179.1149 22.23159 832.9256       186.2906 804.1713       513.3862 837.2858       199.9167 147.1411 54.69613 178.4318 24.04675 -31.29079      59.74875 
1 1 1 -8  2   27 o 49.63283 23.26564 -111.4871      139.0042 -18.46656      309.6382 -134.9655      155.5606 81.36153 36.87855 51.53864 24.30000 29.82288       44.16467 
1 1 1 -8  2   28 o 123.1529 34.90324 460.9445       214.8615 498.3988       331.6602 433.8568       282.0521 121.4098 44.15847 116.0378 40.89304 5.372009       60.18480 
1 1 1 -8  2   29 o 129.3091 27.37571 479.5866       163.9599 315.6511       346.3107 526.9496       186.1441 100.9249 42.39787 133.5962 29.89217 -32.67133      51.87602 
1 1 1 -8  2   30 o 125.8429 29.81623 481.8843       176.6180 280.4852       518.5901 508.3098       187.8480 98.23159 45.67809 128.2073 30.99246 -29.97572      55.19983 
1 1 1 -8  2   31 o 118.4363 35.31376 489.4113       214.9924 866.2190       323.0434 189.8221       288.0475 147.1829 43.13483 84.35254 37.05955 62.83040       56.86848 
1 1 1 -8  2   32 o 55.85836 25.41608 -7.099372      148.8162 -34.29425      327.0685 0.5046665E-03  167.1170 71.00968 33.97602 58.86972 26.84319 12.13996       43.30043 
1 1 1 -8  3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  3   2  o 584.8673 10.59800 8202.060       296.3396 0.000000       0.000000 8202.060       296.3396 ?        ?        584.8673 10.59800 0.000000       10.59800 
1 1 1 -8  3   3  o 224.0192 7.223650 1202.624       77.26488 1234.945       108.8752 1169.830       109.6672 226.7503 10.06833 220.6405 10.42589 6.109711       14.49380 
1 1 1 -8  3   4  o 180.3277 7.624444 780.0056       65.58399 849.1250       91.31525 706.3656       94.25408 187.9174 10.20234 171.1838 11.58497 16.73360       15.43694 
1 1 1 -8  3   5  o 258.8403 7.648327 1605.727       94.54317 1581.334       133.6743 1630.142       133.7341 256.5173 10.92493 260.4732 10.76236 -3.955841      15.33566 
1 1 1 -8  3   6  o 434.7608 7.662265 4526.559       159.2634 4529.371       226.1638 4523.792       224.3125 434.3575 10.89960 434.2386 10.80480 0.1189270      15.34748 
1 1 1 -8  3   7  o 336.4999 8.018455 2712.457       128.9983 2748.879       184.6739 2677.753       180.2682 338.1929 11.43821 333.8038 11.31221 4.389130       16.08722 
1 1 1 -8  3   8  f 291.7976 10.42027 2045.772       145.1347 1966.875       177.9761 2202.386       250.7529 285.6895 13.06502 301.4163 17.47581 -15.72675      21.81968 
1 1 1 -8  3   9  o 247.8739 10.56884 1477.753       124.9593 1711.943       172.3984 1218.520       181.3819 266.3180 13.58506 223.8808 17.07487 42.43719       21.81984 
1 1 1 -8  3   10 o 263.2279 12.09691 1670.133       151.8281 1817.964       219.3208 1534.094       210.3921 273.6172 16.84764 251.0692 17.64007 22.54805       24.39293 
1 1 1 -8  3   11 o 202.0556 12.89825 987.4427       123.9471 801.0320       193.3405 1117.511       161.5005 179.4770 23.06487 214.3883 15.86917 -34.91135      27.99676 
1 1 1 -8  3   12 o 143.8745 18.31929 510.9851       123.1550 783.6712       201.6524 348.7721       155.5303 176.8351 24.51025 116.2040 28.26933 60.63113       37.41534 
1 1 1 -8  3   13 o 368.5240 10.41306 3269.029       183.2808 3517.821       284.3152 3092.128       239.7436 380.6647 15.65586 357.3878 14.05876 23.27682       21.04173 
1 1 1 -8  3   14 o 323.8273 13.18689 2538.185       203.7299 2724.030       284.2467 2341.860       292.1512 333.7835 17.87761 308.5803 19.90925 25.20319       26.75794 
1 1 1 -8  3   15 o 98.98531 24.43850 253.0853       114.9491 205.1011       164.9150 298.4260       160.3080 91.97319 31.32798 106.8143 30.10578 -14.84115      43.44882 
1 1 1 -8  3   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  3   17 o 163.3872 18.12193 661.7615       139.1791 512.5877       200.9589 799.2729       192.9436 138.9237 31.03988 177.8443 23.24857 -38.92061      38.78105 
1 1 1 -8  3   18 o 272.3270 15.14527 1811.569       196.4093 1900.836       283.1527 1728.788       272.6729 275.9640 21.63433 262.9793 21.88582 12.98465       30.77391 
1 1 1 -8  3   19 o 114.0460 29.22056 346.4109       160.0264 283.7116       193.5410 481.9109       284.5189 104.1110 33.90094 131.1727 40.92892 -27.06165      53.14555 
1 1 1 -8  3   20 o 426.6725 15.00231 4450.490       305.5518 4412.696       388.8830 4511.465       493.9515 421.7815 19.33659 421.8073 24.60089 -0.2581787E-01 31.29070 
1 1 1 -8  3   21 o 52.88272 24.44643 -99.14635      145.2736 -99.03725      318.6866 -99.17497      163.2185 81.45146 37.11240 56.71022 26.10677 24.74125       45.37503 
1 1 1 -8  3   22 o 115.4608 35.26297 370.8414       212.5413 780.1818       337.9377 102.9581       273.3802 161.9252 42.95309 89.30497 37.60223 72.62019       57.08674 
1 1 1 -8  3   23 o 119.7266 26.74088 382.5989       149.1954 -45.39413      349.1734 478.1893       165.0175 87.42482 39.43869 134.2337 26.65371 -46.80888      47.60073 
1 1 1 -8  3   24 o 100.0222 29.42304 271.9940       150.0683 301.0076       360.8066 265.9250       165.0191 110.9042 44.54985 98.99982 31.21063 11.90442       54.39479 
1 1 1 -8  3   25 o 121.6139 35.89710 434.5762       223.0552 361.0461       380.9052 472.9502       275.1711 113.9351 45.77160 124.4938 40.41445 -10.55870      61.06035 
1 1 1 -8  3   26 o 236.0444 18.43130 1412.094       206.3495 1957.151       409.9923 1227.185       238.7997 262.3962 33.44088 216.2106 23.47842 46.18564       40.85986 
1 1 1 -8  3   27 f 143.9525 29.03062 581.9607       192.8913 578.3963       259.6846 586.3478       288.1021 136.0142 38.31089 134.5223 41.04971 1.491852       56.14983 
1 1 1 -8  3   28 o 217.7089 17.82746 1214.928       183.9319 1561.680       298.3045 1002.236       233.6286 237.5652 26.72767 190.3076 26.38706 47.25768       37.55856 
1 1 1 -8  3   29 o 165.1501 21.96297 740.3782       169.1167 836.4111       285.2446 688.3241       210.0076 157.6041 38.24876 151.7308 30.01372 5.873306       48.61884 
1 1 1 -8  3   30 o 198.6672 23.93215 1108.125       222.7357 1253.201       310.2510 953.8218       319.9651 197.6229 34.06721 160.8913 41.36833 36.73155       53.59024 
1 1 1 -8  3   31 o 66.95415 28.81391 85.03351       166.7639 220.9509       544.9687 70.99132       175.1667 88.59317 42.76367 66.41869 29.04763 22.17448       51.69619 
1 1 1 -8  3   32 o 57.75881 28.28154 -218.6620      262.6002 -816.9755      560.7490 -50.58753      297.2042 65.60659 33.35298 67.05493 32.16453 -1.448341      46.33549 
1 1 1 -8  4   1  o 217.1722 7.261705 1130.473       75.29047 0.000000       0.000000 1130.473       75.29047 ?        ?        217.1722 7.261705 0.000000       7.261705 
1 1 1 -8  4   2  o 220.4402 7.212560 1164.711       75.91079 0.000000       0.000000 1164.711       75.91079 ?        ?        220.4402 7.212560 0.000000       7.212560 
1 1 1 -8  4   3  o 114.6763 13.68360 320.6272       73.54246 0.000000       0.000000 320.6272       73.54246 ?        ?        114.6763 13.68360 0.000000       13.68360 
1 1 1 -8  4   4  o 306.7687 7.262263 2253.488       106.5102 2079.948       144.3439 2460.922       157.8120 294.2869 10.27510 320.1288 10.32465 -25.84189      14.56626 
1 1 1 -8  4   5  o 142.8910 9.395675 491.6680       63.82998 488.2880       81.23645 497.1218       103.1898 142.0581 12.07559 142.8236 15.35302 -0.7655792     19.53292 
1 1 1 -8  4   6  o 369.1556 9.721357 3271.246       171.4220 3121.858       342.5829 3321.143       197.9914 358.1773 20.08643 371.7179 11.15363 -13.54059      22.97538 
1 1 1 -8  4   7  o 268.6876 9.657888 1734.367       123.8600 1747.185       151.4521 1708.480       215.2294 269.3527 11.78959 265.2758 17.06099 4.076904       20.73818 
1 1 1 -8  4   8  o 250.9690 10.50191 1515.395       125.7291 1493.611       194.6935 1530.978       164.6695 247.9815 16.51605 251.6855 13.73714 -3.704025      21.48229 
1 1 1 -8  4   9  o 470.8451 10.56221 5326.988       237.7613 5311.461       263.9031 5393.917       547.9133 469.7237 11.76076 467.9025 24.57955 1.821198       27.24829 
1 1 1 -8  4   10 f 455.5253 10.94944 4990.201       238.4584 4987.052       514.7394 4991.062       269.0729 449.6758 24.03032 455.0205 12.38039 -5.344666      27.03203 
1 1 1 -8  4   11 o 256.3401 12.34966 1587.463       150.9039 1698.350       212.0513 1473.688       214.7957 263.9775 16.89080 245.3624 18.44594 18.61510       25.01103 
1 1 1 -8  4   12 o 290.7880 10.97633 2038.790       152.3217 2091.656       215.8889 1986.385       214.9449 293.3164 15.44969 285.7106 15.79742 7.605804       22.09641 
1 1 1 -8  4   13 o 555.5841 20.14376 7584.468       534.1696 7687.977       756.3141 7481.442       754.5488 551.6699 28.77521 543.8344 29.12725 7.835449       40.94398 
1 1 1 -8  4   14 o 297.0584 12.89021 2138.264       182.6314 2256.012       280.5576 2051.678       240.5852 302.5560 19.49964 289.3391 17.47360 13.21695       26.18325 
1 1 1 -8  4   15 o 233.8767 14.28002 1332.391       158.9092 1660.973       241.0934 1079.991       211.3046 259.1819 19.60216 207.9328 21.56872 51.24901       29.14540 
1 1 1 -8  4   16 o 371.8624 20.04507 3419.664       355.0504 3419.664       355.0504 0.000000       0.000000 371.8624 20.04507 ?        ?        0.000000       20.04507 
1 1 1 -8  4   17 f 237.9406 14.81669 1383.294       167.7134 1404.426       251.2860 1366.320       225.2150 236.4908 22.49581 234.2721 20.30838 2.218719       30.30663 
1 1 1 -8  4   18 o 109.0358 34.54466 316.9725       201.9314 452.3542       311.9447 219.3243       264.9292 127.6539 43.09031 100.5810 38.84612 27.07288       58.01548 
1 1 1 -8  4   19 o 281.9934 15.23568 1948.704       204.6414 2185.789       298.6168 1738.768       280.9992 295.3308 21.29229 262.4749 22.61308 32.85593       31.05983 
1 1 1 -8  4   20 o 227.9731 21.49522 1312.000       231.5138 945.5046       352.5489 1589.877       306.9805 180.4309 41.70497 248.0090 26.29009 -67.57808      49.29983 
1 1 1 -8  4   21 o 244.4803 16.06799 1475.441       186.7668 1516.026       276.2916 1441.291       253.4417 243.1745 24.08109 238.0486 22.53756 5.125946       32.98243 
1 1 1 -8  4   22 o 185.5572 22.42771 880.4067       194.9305 1096.224       248.0760 532.0935       315.1564 205.2314 25.85583 133.7491 43.23785 71.48233       50.37892 
1 1 1 -8  4   23 o 335.3600 16.39114 2782.801       262.0059 2908.140       382.0257 2671.488       360.0176 336.5487 23.89850 322.8932 23.48199 13.65555       33.50436 
1 1 1 -8  4   24 o 218.7601 18.06485 1204.107       187.2518 1446.784       283.7180 1016.818       249.2463 234.1656 25.76826 194.6875 27.54681 39.47804       37.72042 
1 1 1 -8  4   25 o 155.1797 23.44936 636.0391       168.5485 615.1791       261.5275 650.8586       220.4332 142.2922 37.80534 151.5820 31.44901 -9.289871      49.17605 
1 1 1 -8  4   26 o 69.35905 28.82891 69.53117       157.5956 156.7343       249.7458 11.83253       203.1491 87.69997 36.35788 70.25896 30.98541 17.44100       47.77019 
1 1 1 -8  4   27 o 103.5653 35.19992 325.4915       208.1839 575.6102       271.9863 -28.35004      323.5030 132.4404 39.77385 80.31363 36.89275 52.12679       54.24974 
1 1 1 -8  4   28 o 188.5202 20.16958 941.0182       178.9654 1228.949       305.4161 790.4554       220.8547 200.9861 32.92357 164.4666 29.15530 36.51952       43.97719 
1 1 1 -8  4   29 o 88.71927 34.51026 245.3118       210.2198 226.1641       288.6258 266.9464       306.7971 88.73885 38.04339 92.22576 39.37265 -3.486916      54.74947 
1 1 1 -8  4   30 f 164.9828 23.24213 771.7724       178.2513 904.5496       312.7102 707.8649       216.9483 152.2419 41.72895 148.5259 31.52858 3.715988       52.30064 
1 1 1 -8  4   31 o 96.46546 35.77518 369.3409       219.3934 557.3432       304.4633 166.2823       316.4201 107.5286 41.61297 78.96012 36.34963 28.56847       55.25337 
1 1 1 -8  5   1  o 232.9332 7.135615 1300.656       79.37043 0.000000       0.000000 1300.656       79.37043 ?        ?        232.9332 7.135615 0.000000       7.135615 
1 1 1 -8  5   2  o 108.2435 8.340286 282.4734       42.82838 0.000000       0.000000 282.4734       42.82838 ?        ?        108.2435 8.340286 0.000000       8.340286 
1 1 1 -8  5   3  o 48.90181 10.46991 59.60015       23.73967 0.000000       0.000000 59.60015       23.73967 ?        ?        48.90181 10.46991 0.000000       10.46991 
1 1 1 -8  5   4  o 120.4825 6.835321 348.7798       39.21083 307.7406       66.21250 370.9456       48.66116 112.4161 12.53268 124.1249 8.246796 -11.70879      15.00259 
1 1 1 -8  5   5  o 31.44614 13.80116 -10.03474      39.85336 -32.37087      43.07988 122.5441       104.9561 29.22014 13.43731 73.27773 24.99165 -44.05759      28.37506 
1 1 1 -8  5   6  o 147.9574 11.50589 529.5915       80.74953 549.4756       99.44207 491.0984       138.3594 150.3066 13.99930 140.4028 21.27826 9.903809       25.47047 
1 1 1 -8  5   7  o 233.5971 8.738354 1311.063       97.41799 1285.333       127.6200 1346.991       150.8038 230.8425 11.60082 235.9759 13.42242 -5.133347      17.74092 
1 1 1 -8  5   8  o 55.29512 20.24061 60.83845       69.84337 36.24794       88.26807 102.0154       114.2213 54.80980 22.02865 70.67474 25.88195 -15.86494      33.98730 
1 1 1 -8  5   9  o 236.7700 10.00307 1349.903       112.9767 1481.624       154.4998 1198.527       165.6262 247.4434 13.10676 221.8636 15.71646 25.57979       20.46447 
1 1 1 -8  5   10 o 268.4923 10.10088 1736.215       129.4268 1633.409       174.3545 1862.395       193.1612 259.4819 14.10764 276.9706 14.63939 -17.48871      20.33070 
1 1 1 -8  5   11 o 291.3591 11.17092 2048.640       155.3175 2074.161       194.7880 2004.086       257.3636 292.3938 13.97477 285.6462 18.95280 6.747589       23.54789 
1 1 1 -8  5   12 o 210.1507 12.62155 1071.180       126.2251 1116.958       178.3760 1025.266       178.6427 213.1638 17.66147 203.8841 18.52928 9.279755       25.59808 
1 1 1 -8  5   13 f 73.86322 23.35550 134.7750       92.34425 140.5521       105.3495 115.6141       191.8610 76.08225 25.02588 82.74308 32.73312 -6.660828      41.20378 
1 1 1 -8  5   14 o 223.7687 14.70027 1222.086       156.3944 1187.820       213.3303 1261.900       229.9542 218.4233 20.67501 224.7531 21.66898 -6.329865      29.94997 
1 1 1 -8  5   15 o 255.7419 15.39886 1598.991       187.4055 1692.642       273.3564 1515.940       257.4236 260.1091 22.19371 246.1082 22.11385 14.00095       31.33023 
1 1 1 -8  5   16 o 95.19173 27.48582 236.8496       132.0434 218.9728       260.6932 243.0186       153.1409 100.4098 38.59865 96.66475 30.00643 3.745026       48.89010 
1 1 1 -8  5   17 o 151.3337 26.93804 597.7243       187.7542 498.5946       286.0074 672.7960       248.8935 132.8487 40.96780 157.1682 34.10557 -24.31943      53.30619 
1 1 1 -8  5   18 o 405.0337 16.44316 4032.328       317.7466 4374.719       457.3092 3712.746       441.8145 416.4615 23.05819 382.4808 24.28683 33.98071       33.48925 
1 1 1 -8  5   19 o 91.13412 29.90395 214.8978       150.4583 116.0270       190.6853 377.9945       244.9095 81.25945 32.47346 116.5786 38.14676 -35.31915      50.09691 
1 1 1 -8  5   20 o 119.8359 26.33149 382.1845       146.7312 536.3146       330.8146 344.4357       163.7164 134.0643 44.35817 112.4436 29.92850 21.62066       53.51040 
1 1 1 -8  5   21 o 185.2724 17.38451 855.8205       152.1872 844.3270       238.0099 863.7697       197.9384 177.8467 28.99013 183.3474 23.09229 -5.500687      37.06321 
1 1 1 -8  5   22 f 74.88258 27.66186 125.9201       130.9361 32.76199       219.7587 177.1929       163.0343 76.27336 32.95224 85.48004 30.97912 -9.206680      45.22782 
1 1 1 -8  5   23 o 188.4929 22.56782 920.4798       199.3353 691.8596       396.8237 997.6375       230.5314 143.8189 48.60027 194.3938 25.41289 -50.57489      54.84342 
1 1 1 -8  5   24 o 64.29118 29.14717 -53.26344      193.5407 -239.8327      238.6179 305.4807       330.8836 60.69528 29.03538 106.3406 42.68122 -45.64532      51.62112 
1 1 1 -8  5   25 o 84.15211 30.68715 183.5370       160.3168 510.6938       252.9922 -35.98339      207.2367 127.7085 38.36155 67.16786 30.33421 60.54060       48.90575 
1 1 1 -8  5   26 o 187.0960 26.29554 959.2859       228.7274 1281.540       293.2020 458.2900       365.5821 213.1889 29.56139 116.0368 45.40207 97.15213       54.17770 
1 1 1 -8  5   27 o 87.27309 31.91706 219.9407       173.6097 348.3520       276.3565 136.2258       223.1359 102.6306 39.66505 80.59765 33.95575 22.03294       52.21407 
1 1 1 -8  5   28 o 109.3246 37.20815 421.2223       232.6263 276.1241       295.2367 658.8032       377.7855 92.94554 39.10238 121.8792 46.56233 -28.93369      60.80334 
1 1 1 -8  5   29 o 93.94173 32.95864 294.7947       183.0741 265.6283       300.7471 311.9649       230.7530 89.93064 38.69825 94.26656 36.29447 -4.335922      53.05509 
1 1 1 -8  5   30 o 185.1407 29.27069 1090.154       250.4828 1377.328       341.2196 754.5605       368.8657 191.9244 38.52748 118.4240 45.81026 73.50041       59.85773 
1 1 1 -8  6   1  f 238.3551 7.412542 1362.886       84.36684 0.000000       0.000000 1362.886       84.36684 ?        ?        238.3551 7.412542 0.000000       7.412542 
1 1 1 -8  6   2  o 319.5229 7.376569 2446.888       112.6846 0.000000       0.000000 2446.888       112.6846 ?        ?        319.5229 7.376569 0.000000       7.376569 
1 1 1 -8  6   3  f 194.2823 7.737672 906.3768       71.72694 0.000000       0.000000 906.3768       71.72694 ?        ?        194.2823 7.737672 0.000000       7.737672 
1 1 1 -8  6   4  o 339.9642 7.212801 2770.124       117.2318 0.000000       0.000000 2770.124       117.2318 ?        ?        339.9642 7.212801 0.000000       7.212801 
1 1 1 -8  6   5  o 257.7071 6.367913 1591.000       78.45704 1505.827       133.5942 1635.841       96.93416 249.9025 11.21026 261.0607 7.775194 -11.15823      13.64271 
1 1 1 -8  6   6  o 95.05152 11.61510 220.7636       51.68735 244.3748       68.64363 189.8480       78.54716 99.43632 14.89744 86.55260 19.45646 12.88372       24.50485 
1 1 1 -8  6   7  o 191.1134 10.06782 880.7433       91.66432 890.3174       121.1521 867.9244       140.1870 191.5350 13.31330 188.5481 15.69384 2.986923       20.58011 
1 1 1 -8  6   8  o 373.7092 8.495224 3353.668       151.7809 3246.771       194.8588 3518.587       242.0306 366.9476 11.12011 381.3124 13.29677 -14.36478      17.33381 
1 1 1 -8  6   9  o 184.3800 11.21291 822.4563       98.37450 775.0123       127.5091 892.2237       154.6240 178.0872 15.11891 190.5992 17.15193 -12.51195      22.86417 
1 1 1 -8  6   10 o 206.6815 12.87425 1037.044       126.5814 1273.672       165.3858 702.3942       196.6802 228.4655 15.22845 165.9200 25.61845 62.54541       29.80286 
1 1 1 -8  6   11 f 186.7296 13.29814 848.6636       117.9400 904.4852       155.7158 773.5522       180.6277 191.6899 17.17299 175.5081 22.00946 16.18179       27.91645 
1 1 1 -8  6   12 o 67.35823 25.39723 88.01682       111.5042 166.8877       145.3289 -24.86236      173.8605 84.13689 29.37616 65.44504 28.77092 18.69186       41.11842 
1 1 1 -8  6   13 o 208.2533 14.00879 1057.744       138.6651 1008.626       186.6317 1118.273       207.1777 201.4229 19.62940 211.7216 20.73322 -10.29866      28.55135 
1 1 1 -8  6   14 o 92.76211 23.41673 223.3383       103.8453 246.4328       118.7936 148.5061       213.8372 97.12758 25.32548 88.54032 34.69995 8.587257       42.95889 
1 1 1 -8  6   15 o 254.4081 22.64459 1629.563       272.5500 0.000000       0.000000 1629.563       272.5500 ?        ?        254.4081 22.64459 0.000000       22.64459 
1 1 1 -8  6   16 o 223.5329 15.26070 1226.149       162.1107 1414.621       218.5145 995.4390       241.7626 238.3622 19.34098 196.2462 26.43998 42.11601       32.75891 
1 1 1 -8  6   17 o 151.5825 18.73145 576.6011       132.8614 553.6844       174.9948 607.7882       204.1442 145.3890 26.13666 150.8882 29.35607 -5.499252      39.30527 
1 1 1 -8  6   18 o 273.7458 15.95205 1846.961       207.8675 1756.133       265.4196 1991.043       334.2927 263.8835 21.21707 277.9983 25.43371 -14.11487      33.12156 
1 1 1 -8  6   19 o 55.06566 25.23202 -81.69964      150.0480 111.2519       270.1626 -167.7684      180.4363 89.30570 37.47778 55.39536 26.13443 33.91035       45.69018 
1 1 1 -8  6   20 o 63.72638 26.74375 35.15714       137.5736 -21.12566      286.1354 52.07990       156.8987 81.24451 36.24797 68.96525 28.72329 12.27927       46.24870 
1 1 1 -8  6   21 o 262.1184 16.20455 1702.772       202.0757 1609.087       273.1367 1816.059       300.3549 250.2887 23.08602 265.3252 23.93525 -15.03642      33.25448 
1 1 1 -8  6   22 o 301.5476 16.16598 2262.006       232.2074 2375.366       356.1425 2178.179       306.2561 301.1087 24.96375 290.9527 22.18404 10.15594       33.39641 
1 1 1 -8  6   23 o 58.05705 25.11735 9.135894       128.0354 263.4636       196.4668 -178.6146      168.8040 97.23992 34.14081 51.60654 24.61428 45.63338       42.08869 
1 1 1 -8  6   24 o 61.81129 27.76235 -30.17949      170.8940 -211.3740      209.0666 334.6647       296.6648 56.83447 27.18564 106.2666 41.08954 -49.43209      49.26875 
1 1 1 -8  6   25 o 239.8561 19.27727 1482.165       219.1971 2060.508       411.9773 1253.793       258.8823 265.7307 33.14700 214.6329 25.74183 51.09775       41.96862 
1 1 1 -8  6   26 o 47.52344 23.03848 -211.3518      162.5087 16.59599       246.9393 -385.4883      215.8328 73.55775 33.17618 49.64210 24.56119 23.91565       41.27845 
1 1 1 -8  6   27 o 86.01152 31.68095 224.3183       171.5364 378.8965       263.6476 110.8498       225.8849 102.6672 38.97516 76.66319 33.26377 26.00402       51.24004 
1 1 1 -8  6   28 o 59.90331 27.36435 -20.42194      174.6944 -42.93268      271.7271 -4.562634      228.0763 69.35642 32.51680 67.31949 30.94338 2.036934       44.88691 
1 1 1 -8  6   29 f 67.72005 32.46299 -80.81654      301.6789 122.3280       477.5993 -215.6775      389.1386 82.77164 39.97326 69.17958 33.98645 13.59206       52.46847 
1 1 1 -8  6   30 o 174.6684 30.18960 1021.408       242.9880 1234.631       514.9442 960.3315       275.6006 121.6615 51.43644 156.8041 37.30742 -35.14260      63.54173 
1 1 1 -8  7   1  o 66.46584 12.20282 109.8079       37.34783 0.000000       0.000000 109.8079       37.34783 ?        ?        66.46584 12.20282 0.000000       12.20282 
1 1 1 -8  7   2  f 236.2527 7.776491 1340.512       87.71557 0.000000       0.000000 1340.512       87.71557 ?        ?        236.2527 7.776491 0.000000       7.776491 
1 1 1 -8  7   3  o 93.69256 9.731463 213.2931       42.95625 0.000000       0.000000 213.2931       42.95625 ?        ?        93.69256 9.731463 0.000000       9.731463 
1 1 1 -8  7   4  o 245.2364 8.066671 1445.132       94.44876 0.000000       0.000000 1445.132       94.44876 ?        ?        245.2364 8.066671 0.000000       8.066671 
1 1 1 -8  7   5  o 488.5197 7.948725 5728.653       185.6470 0.000000       0.000000 5728.653       185.6470 ?        ?        488.5197 7.948725 0.000000       7.948725 
1 1 1 -8  7   6  f 129.4443 7.572913 403.4781       46.66092 424.0910       85.32650 394.6841       55.73251 131.6524 13.75940 127.8005 9.182740 3.851837       16.54218 
1 1 1 -8  7   7  o 78.78180 14.90108 155.4788       54.06909 195.7972       58.48360 -81.74771      141.8613 88.79317 14.25932 54.03650 24.67474 34.75667       28.49861 
1 1 1 -8  7   8  o 102.2508 15.16439 259.4070       71.88808 305.2789       85.65231 150.0825       132.2282 110.7038 16.70262 80.30344 28.02196 30.40031       32.62219 
1 1 1 -8  7   9  o 46.97872 18.91166 26.45655       65.16830 50.86533       106.5857 11.88422       82.35512 60.67895 24.26846 49.20587 20.67356 11.47308       31.88031 
1 1 1 -8  7   10 o 278.7126 9.905271 1873.731       131.7772 1944.318       164.0867 1745.503       221.1579 283.2859 12.14366 266.4771 17.45548 16.80878       21.26411 
1 1 1 -8  7   11 o 50.29446 18.51028 50.31781       58.53842 95.40424       66.13593 -112.7918      125.7924 62.48114 19.76639 47.57650 22.24687 14.90464       29.75959 
1 1 1 -8  7   12 o 175.8526 15.10072 758.9286       125.7284 780.9000       146.7729 698.3643       243.6831 177.6184 17.51175 161.3314 32.71429 16.28708       37.10642 
1 1 1 -8  7   13 o 271.6413 12.43878 1792.183       161.1119 1822.397       205.1250 1743.528       260.3001 272.6147 15.80619 264.2341 20.77212 8.380585       26.10204 
1 1 1 -8  7   14 o 180.9425 16.79173 809.7847       143.6021 940.7577       167.1071 439.9663       280.8008 194.5985 18.17179 125.4556 40.83304 69.14291       44.69397 
1 1 1 -8  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  7   16 o 437.7268 14.04197 4682.630       293.4791 4501.606       501.8465 4776.714       361.7934 419.2029 25.15596 439.6769 17.24494 -20.47403      30.49935 
1 1 1 -8  7   17 o 194.7218 23.63915 975.2307       215.5648 1021.491       295.9103 922.9218       314.6624 193.1105 33.25085 180.1012 37.75336 13.00935       50.30840 
1 1 1 -8  7   18 o 121.3324 29.12436 400.4068       166.7953 121.4973       282.6458 549.4323       206.6052 91.24178 38.31482 141.3925 31.38303 -50.15067      49.52696 
1 1 1 -8  7   19 o 167.7946 22.53794 724.8359       176.2330 1014.856       279.5165 533.4786       227.0471 193.1754 31.33838 137.2070 34.61887 55.96832       46.69647 
1 1 1 -8  7   20 o 272.1510 16.90271 1843.988       218.8394 1571.200       314.9101 2098.759       304.3323 243.3015 27.55748 286.1870 22.42171 -42.88554      35.52672 
1 1 1 -8  7   21 o 198.5982 20.45909 1011.746       191.4777 1086.609       226.6181 824.9286       357.9902 203.5706 23.72915 158.9416 45.05504 44.62892       50.92179 
1 1 1 -8  7   22 o 107.5847 31.06353 332.3199       168.6573 351.9373       196.0748 276.5181       330.6934 109.4477 33.94962 103.1656 42.20495 6.282097       54.16489 
1 1 1 -8  7   23 o 164.0378 23.41545 717.1689       178.4292 798.9606       336.1164 685.0751       210.5453 154.2003 43.63850 155.9217 29.32026 -1.721329      52.57372 
1 1 1 -8  7   24 o 223.9172 16.98219 1273.748       180.4426 1327.913       263.5623 1225.962       247.5578 220.9260 25.41581 212.8204 24.79456 8.105576       35.50681 
1 1 1 -8  7   25 o 201.1977 21.57538 1084.063       204.2967 902.7986       258.5327 1385.452       333.3670 172.4277 32.55475 212.3675 33.97919 -39.93987      47.05738 
1 1 1 -8  7   26 o 183.6458 23.31252 938.3221       200.0754 1028.810       390.4493 906.1016       232.9891 155.3529 47.85984 174.1496 29.00324 -18.79675      55.96206 
1 1 1 -8  7   27 o 76.61177 30.49189 162.9682       167.4464 326.1628       235.2386 -4.646688      238.4031 95.48381 36.67590 68.19303 31.45015 27.29078       48.31390 
1 1 1 -8  7   28 o 94.16362 35.10710 334.6916       211.8074 322.1294       254.9937 362.6472       380.3925 90.81110 37.09516 91.38362 41.19975 -0.5725174     55.43889 
1 1 1 -8  7   29 o 123.9609 36.01725 610.4422       226.0874 1214.754       436.2799 388.5727       264.3526 135.7856 50.43180 92.07075 37.70838 43.71484       62.97054 
1 1 1 -8  8   1  o 263.7055 7.620842 1670.625       95.97868 0.000000       0.000000 1670.625       95.97868 ?        ?        263.7055 7.620842 0.000000       7.620842 
1 1 1 -8  8   2  o 178.9216 8.902865 771.5297       75.91624 0.000000       0.000000 771.5297       75.91624 ?        ?        178.9216 8.902865 0.000000       8.902865 
1 1 1 -8  8   3  o 260.5776 7.954752 1632.232       98.98361 0.000000       0.000000 1632.232       98.98361 ?        ?        260.5776 7.954752 0.000000       7.954752 
1 1 1 -8  8   4  o 260.5908 8.103397 1632.872       100.8339 0.000000       0.000000 1632.872       100.8339 ?        ?        260.5908 8.103397 0.000000       8.103397 
1 1 1 -8  8   5  o 214.7616 8.266000 1109.928       84.71276 0.000000       0.000000 1109.928       84.71276 ?        ?        214.7616 8.266000 0.000000       8.266000 
1 1 1 -8  8   6  o 35.83246 12.96977 25.85960       28.56454 0.000000       0.000000 25.85960       28.56454 ?        ?        35.83246 12.96977 0.000000       12.96977 
1 1 1 -8  8   7  o 59.01400 13.46584 87.75578       37.15089 100.6104       76.60638 83.80292       42.48063 64.82720 21.34138 57.64386 15.20013 7.183338       26.20111 
1 1 1 -8  8   8  o 266.3733 9.370796 1710.470       119.1512 1683.130       146.3240 1764.277       205.2745 263.6346 11.63795 268.3793 16.07207 -4.744751      19.84321 
1 1 1 -8  8   9  o 55.81445 20.76232 61.22911       73.99941 46.70496       81.73457 127.2521       174.2640 54.65985 21.44379 81.44394 31.49197 -26.78408      38.09961 
1 1 1 -8  8   10 o 161.3429 14.30882 638.3204       109.2295 651.9457       139.6015 616.8098       175.4045 161.7809 18.37414 154.9528 24.49019 6.828079       30.61664 
1 1 1 -8  8   11 o 103.6134 15.59381 267.8062       74.85382 359.3659       97.63971 137.2812       116.5792 119.7535 17.57697 76.07970 26.32520 43.67384       31.65384 
1 1 1 -8  8   12 f 258.0835 11.42816 1615.460       140.6587 1564.364       170.8343 1723.011       247.8501 252.9801 14.18151 262.8101 19.87327 -9.829971      24.41438 
1 1 1 -8  8   13 o 67.40469 28.26321 39.48387       153.4479 -30.81952      189.6909 172.5919       261.0120 67.06618 29.74165 94.67383 37.93897 -27.60765      48.20717 
1 1 1 -8  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  8   15 o 245.5460 13.35993 1474.724       156.2451 1518.000       206.9853 1417.402       238.2201 247.0803 17.63839 236.6493 21.28257 10.43098       27.64165 
1 1 1 -8  8   16 o 267.2300 14.36802 1753.301       182.8902 1853.063       244.5778 1626.758       275.4590 272.1610 18.91444 252.1882 23.10314 19.97279       29.85818 
1 1 1 -8  8   17 o 187.4818 15.58617 870.2654       138.4411 953.9808       179.6408 747.8314       217.2468 194.4675 19.58851 167.3917 28.14394 27.07584       34.28981 
1 1 1 -8  8   18 o 245.9800 16.55832 1503.432       193.5917 1315.574       286.0121 1662.270       262.9941 222.8705 27.41984 255.2744 21.75630 -32.40392      35.00263 
1 1 1 -8  8   19 o 255.6384 17.31911 1636.183       210.4208 1659.446       329.8992 1620.229       273.2120 248.4926 28.27104 250.0633 23.11440 -1.570709      36.51749 
1 1 1 -8  8   20 o 94.30349 33.07873 244.0927       184.4042 418.2415       324.3183 160.8934       224.1666 116.1814 43.41689 86.77782 35.02477 29.40359       55.78316 
1 1 1 -8  8   21 o 115.0433 39.02114 412.4255       255.8243 620.0699       345.6787 160.9900       380.3871 134.3089 45.36039 96.96291 42.59401 37.34597       62.22390 
1 1 1 -8  8   22 o 90.25537 33.32181 222.4797       189.9537 286.6787       218.2838 22.18760       385.5576 99.03884 35.85254 88.64619 40.55431 10.39265       54.13000 
1 1 1 -8  8   23 o 116.5824 28.50231 392.9090       157.5101 249.8310       206.1063 593.7921       244.2174 93.00311 34.63982 136.6449 36.63605 -43.64174      50.41941 
1 1 1 -8  8   24 o 158.2939 28.46712 731.9747       207.5152 289.8629       349.7517 972.1661       257.7938 96.98185 41.73229 179.8271 31.11096 -82.84530      52.05263 
1 1 1 -8  8   25 o 96.63952 29.71262 292.7776       150.5802 593.0661       218.4843 21.08559       207.8210 133.9660 34.04684 67.48040 30.43517 66.48562       45.66714 
1 1 1 -8  8   26 o 213.4655 26.64188 1347.127       265.9921 1213.235       390.8485 1462.637       363.0293 167.9350 46.89305 202.5428 38.90375 -34.60780      60.92996 
1 1 1 -8  8   27 o 94.54974 30.97846 309.6863       161.4907 281.7545       242.6736 331.8872       216.3510 86.71238 35.88395 92.88039 35.29563 -6.168015      50.33328 
1 1 1 -8  8   28 o 48.79840 23.36241 -106.6531      155.1408 -66.60848      241.1439 -134.9329      202.6478 60.90005 29.14824 53.79385 25.99339 7.106201       39.05479 
1 1 1 -8  9   1  o 332.7798 7.808664 2660.161       124.2345 0.000000       0.000000 2660.161       124.2345 ?        ?        332.7798 7.808664 0.000000       7.808664 
1 1 1 -8  9   2  o 279.7546 8.801625 1884.409       117.5730 0.000000       0.000000 1884.409       117.5730 ?        ?        279.7546 8.801625 0.000000       8.801625 
1 1 1 -8  9   3  o 149.5673 9.446842 540.7864       67.20586 0.000000       0.000000 540.7864       67.20586 ?        ?        149.5673 9.446842 0.000000       9.446842 
1 1 1 -8  9   4  f 510.3536 9.716990 6275.744       237.0889 0.000000       0.000000 6275.744       237.0889 ?        ?        510.3536 9.716990 0.000000       9.716990 
1 1 1 -8  9   5  o 347.5660 8.998626 2909.838       149.4020 0.000000       0.000000 2909.838       149.4020 ?        ?        347.5660 8.998626 0.000000       8.998626 
1 1 1 -8  9   6  o 404.4329 8.166710 3933.081       157.9072 0.000000       0.000000 3933.081       157.9072 ?        ?        404.4329 8.166710 0.000000       8.166710 
1 1 1 -8  9   7  o 217.2572 9.119679 1138.793       94.51382 0.000000       0.000000 1138.793       94.51382 ?        ?        217.2572 9.119679 0.000000       9.119679 
1 1 1 -8  9   8  o 92.43222 10.98270 209.3270       47.58572 255.2881       93.70361 193.3549       55.23871 99.78104 20.33350 88.22352 13.52716 11.55752       24.42203 
1 1 1 -8  9   9  o 268.6563 10.03404 1744.722       128.6522 1879.103       156.7064 1466.888       225.3251 278.2362 11.80737 242.4889 19.60309 35.74736       22.88439 
1 1 1 -8  9   10 o 147.2323 14.47037 534.0179       100.5425 477.2458       113.8444 735.2615       214.3411 138.1055 17.64464 167.1784 27.79284 -29.07292      32.92075 
1 1 1 -8  9   11 o 104.4425 18.26465 277.0757       87.88128 364.3499       112.7669 142.0879       140.2446 119.3273 20.50546 78.83229 28.70873 40.49501       35.27981 
1 1 1 -8  9   12 o 126.0176 21.64280 408.8856       125.6965 495.7283       159.2717 265.4799       204.6703 137.4794 25.15902 100.6155 34.87759 36.86392       43.00491 
1 1 1 -8  9   13 o 142.3307 16.10868 504.5364       107.6897 471.5023       128.5463 582.2900       197.2145 135.9161 20.41258 147.0420 29.08424 -11.12590      35.53261 
1 1 1 -8  9   14 o 165.4957 19.68539 692.9182       152.7054 741.3516       180.5375 571.1467       286.2650 169.7088 22.82980 138.9353 40.57402 30.77354       46.55589 
1 1 1 -8  9   15 o 254.0799 15.64742 1594.700       189.1513 1615.862       251.1036 1566.941       287.5952 252.5673 20.98479 246.0082 24.79025 6.559082       32.47950 
1 1 1 -8  9   16 o 314.0851 12.06676 2405.893       180.8579 2290.517       219.2979 2651.239       319.7909 304.7457 15.09882 323.5583 20.78298 -18.81268      25.68864 
1 1 1 -8  9   17 o 220.7935 13.43209 1199.401       141.1169 1049.117       180.9371 1432.767       225.4708 203.6877 18.79211 237.3980 20.05312 -33.71028      27.48220 
1 1 1 -8  9   18 o 163.7103 19.66143 688.0490       150.8104 711.4441       210.6922 663.4691       215.9615 160.8568 28.43679 153.7757 30.45279 7.081024       41.66562 
1 1 1 -8  9   19 o 90.32959 30.15300 225.4033       152.7836 78.40459       234.8292 333.3013       201.1880 79.69342 34.24287 106.3101 34.56041 -26.61668      48.65178 
1 1 1 -8  9   20 o 191.5717 19.94506 949.8858       180.0017 854.5913       267.9376 1028.271       243.0063 169.8893 34.17348 193.5996 26.98703 -23.71025      43.54454 
1 1 1 -8  9   21 o 138.1192 27.17979 534.9408       173.0824 686.4968       277.8739 438.8639       221.2435 145.6354 39.09346 118.3657 35.94316 27.26971       53.10564 
1 1 1 -8  9   22 o 69.61446 30.48581 42.87162       193.5088 -12.11679      317.8643 75.25106       243.9163 78.66766 36.29320 77.49657 34.07319 1.171082       49.78131 
1 1 1 -8  9   23 o 147.7745 39.33273 769.8401       282.7663 845.8108       378.6726 674.0846       425.1312 140.1936 47.47524 120.3570 48.35434 19.83662       67.76460 
1 1 1 -8  9   24 o 94.40765 34.67896 304.0071       205.3086 378.1921       235.5778 69.69123       418.6752 101.8694 37.19134 83.76147 39.60516 18.10794       54.33014 
1 1 1 -8  9   25 o 206.0844 26.00383 1256.572       250.5141 1439.678       429.8329 1162.380       308.2859 177.6041 49.01959 182.1071 36.67912 -4.502945      61.22318 
1 1 1 -8  9   26 o 54.76350 25.93947 -80.12923      181.0943 -511.7986      258.7942 334.0591       253.5000 48.95202 24.61843 89.84486 36.87595 -40.89284      44.33850 
1 1 1 -8  9   27 o 51.86180 24.91589 -110.4880      179.9328 297.9340       314.4927 -309.2409      219.3879 82.14039 37.20561 48.87115 24.28056 33.26924       44.42750 
1 1 1 -8  10  1  o 236.6339 8.507818 1349.192       96.09399 0.000000       0.000000 1349.192       96.09399 ?        ?        236.6339 8.507818 0.000000       8.507818 
1 1 1 -8  10  2  o 34.46851 14.20471 9.291574       37.81355 0.000000       0.000000 9.291574       37.81355 ?        ?        34.46851 14.20471 0.000000       14.20471 
1 1 1 -8  10  3  o 178.2844 9.736742 768.9199       82.67680 0.000000       0.000000 768.9199       82.67680 ?        ?        178.2844 9.736742 0.000000       9.736742 
1 1 1 -8  10  4  o 319.3926 8.077522 2455.596       123.2431 0.000000       0.000000 2455.596       123.2431 ?        ?        319.3926 8.077522 0.000000       8.077522 
1 1 1 -8  10  5  f 265.2196 8.685767 1695.944       109.9857 0.000000       0.000000 1695.944       109.9857 ?        ?        265.2196 8.685767 0.000000       8.685767 
1 1 1 -8  10  6  o 219.2608 8.868705 1160.366       92.77531 0.000000       0.000000 1160.366       92.77531 ?        ?        219.2608 8.868705 0.000000       8.868705 
1 1 1 -8  10  7  o 163.4344 9.915380 647.4767       77.11044 0.000000       0.000000 647.4767       77.11044 ?        ?        163.4344 9.915380 0.000000       9.915380 
1 1 1 -8  10  8  o 178.7971 9.420080 773.6719       80.23956 0.000000       0.000000 773.6719       80.23956 ?        ?        178.7971 9.420080 0.000000       9.420080 
1 1 1 -8  10  9  o 129.1883 8.886622 404.3569       54.55248 328.3010       96.68329 439.8797       66.07524 113.7581 18.40536 134.4570 10.35871 -20.69891      21.12013 
1 1 1 -8  10  10 o 200.2336 8.030371 967.0797       76.71833 943.2078       140.0403 977.3162       91.70368 195.5409 15.09665 200.9147 9.574548 -5.373764      17.87682 
1 1 1 -8  10  11 o 164.8509 16.66319 676.9255       129.5271 764.1424       152.2392 448.2738       246.4981 174.4381 18.53836 124.8129 37.94700 49.62518       42.23323 
1 1 1 -8  10  12 o 204.7032 28.09106 1110.536       267.6738 0.000000       0.000000 1110.536       267.6738 ?        ?        204.7032 28.09106 0.000000       28.09106 
1 1 1 -8  10  13 o 99.80310 20.18342 258.0974       92.99122 250.8560       107.1288 280.2302       187.2901 97.36816 23.32095 101.3984 33.36876 -4.030273      40.71045 
1 1 1 -8  10  14 o 121.4942 19.30518 378.1434       108.3872 343.4535       123.3609 495.5822       226.9770 113.9774 23.42230 130.8803 35.41899 -16.90298      42.46303 
1 1 1 -8  10  15 o 154.6061 18.07947 606.0322       131.1147 587.4155       142.7650 706.3342       331.3793 151.1055 20.27315 148.5015 43.73286 2.603973       48.20335 
1 1 1 -8  10  16 o 45.38110 21.84045 -180.5553      139.6557 32.52425       271.4471 -257.2599      162.8640 80.69215 35.69152 46.34418 22.60154 34.34798       42.24588 
1 1 1 -8  10  17 o 242.1096 15.53051 1465.176       178.8174 1218.285       252.9579 1711.787       252.8141 213.1949 25.31118 257.5148 20.70930 -44.31990      32.70368 
1 1 1 -8  10  18 o 128.8071 25.82579 456.7517       153.4970 257.9408       253.5390 571.7855       192.8578 96.91444 37.84193 141.9044 29.39475 -44.98993      47.91726 
1 1 1 -8  10  19 o 102.6815 21.79110 284.0244       103.6598 202.2486       122.5785 489.3237       194.2208 85.27092 26.90164 128.5645 31.78142 -43.29355      41.63840 
1 1 1 -8  10  20 o 110.4067 21.86855 330.9128       111.3475 351.7716       128.5770 268.3518       222.6747 112.2056 24.64405 94.72529 35.85127 17.48033       43.50452 
1 1 1 -8  10  21 o 70.76894 25.37057 133.3142       108.9909 93.72315       125.1547 257.5790       221.7292 65.96436 26.32599 91.27239 35.45945 -25.30803      44.16368 
1 1 1 -8  10  22 o 98.53983 27.89022 297.2213       137.2858 234.5967       170.4173 412.9987       231.7144 86.55751 31.62748 106.9536 37.10846 -20.39606      48.75793 
1 1 1 -8  10  23 o 212.4554 17.74745 1195.831       178.6200 1189.142       233.0806 1205.350       278.0379 203.3729 24.46259 196.0028 30.67635 7.370102       39.23591 
1 1 1 -8  10  24 o 110.1016 35.16415 454.3359       208.8905 552.7704       313.5970 375.8241       280.0695 107.9713 42.10703 94.58642 38.78433 13.38486       57.24706 
1 1 1 -8  10  25 o 189.9463 26.03220 1121.207       230.1887 1246.498       343.3001 1018.865       310.2718 168.7023 42.57071 153.0043 41.41314 15.69803       59.39119 
1 1 1 -8  11  1  o 123.4150 11.69499 372.6004       68.18099 0.000000       0.000000 372.6004       68.18099 ?        ?        123.4150 11.69499 0.000000       11.69499 
1 1 1 -8  11  2  o 234.5592 8.700869 1327.784       97.40251 0.000000       0.000000 1327.784       97.40251 ?        ?        234.5592 8.700869 0.000000       8.700869 
1 1 1 -8  11  3  o 152.6507 10.78218 566.8529       78.18265 0.000000       0.000000 566.8529       78.18265 ?        ?        152.6507 10.78218 0.000000       10.78218 
1 1 1 -8  11  4  o 278.8598 8.629179 1876.086       114.9055 0.000000       0.000000 1876.086       114.9055 ?        ?        278.8598 8.629179 0.000000       8.629179 
1 1 1 -8  11  5  o 160.7960 10.26286 627.8711       78.48365 0.000000       0.000000 627.8711       78.48365 ?        ?        160.7960 10.26286 0.000000       10.26286 
1 1 1 -8  11  6  o 157.3625 9.618891 600.3726       72.02029 0.000000       0.000000 600.3726       72.02029 ?        ?        157.3625 9.618891 0.000000       9.618891 
1 1 1 -8  11  7  o 246.4535 9.119540 1467.880       107.2672 0.000000       0.000000 1467.880       107.2672 ?        ?        246.4535 9.119540 0.000000       9.119540 
1 1 1 -8  11  8  o 150.0757 10.62504 548.2037       75.74126 0.000000       0.000000 548.2037       75.74126 ?        ?        150.0757 10.62504 0.000000       10.62504 
1 1 1 -8  11  9  o 146.5321 10.74718 523.1917       74.76600 0.000000       0.000000 523.1917       74.76600 ?        ?        146.5321 10.74718 0.000000       10.74718 
1 1 1 -8  11  10 o 278.4220 8.269181 1870.859       109.9494 1865.945       228.5781 1872.338       125.4110 273.5403 17.57147 278.1297 9.445189 -4.589386      19.94914 
1 1 1 -8  11  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11  12 o 280.6227 13.76693 1939.807       184.1369 1821.137       237.1911 2119.810       292.1251 268.6487 18.58187 287.5039 21.40645 -18.85522      28.34647 
1 1 1 -8  11  13 o 262.0063 13.66587 1694.168       170.5900 1741.793       226.0434 1631.157       260.0080 262.5976 18.11601 251.0423 21.88209 11.55531       28.40802 
1 1 1 -8  11  14 o 327.6554 14.31026 2659.719       223.6272 2419.165       297.0169 2974.556       339.7954 307.0132 20.35044 339.7744 21.02085 -32.76120      29.25776 
1 1 1 -8  11  15 o 167.0786 17.36662 709.8110       136.7001 662.3975       148.6116 970.5179       348.4803 159.9080 19.86610 172.6622 42.50517 -12.75423      46.91856 
1 1 1 -8  11  16 o 118.1011 26.52073 389.0660       146.0698 451.7321       194.5667 308.1288       221.1191 123.3200 32.53575 101.6875 36.17206 21.63255       48.65175 
1 1 1 -8  11  17 o 230.4899 17.71391 1357.398       193.7016 1303.036       230.1348 1489.488       358.7299 222.0497 21.96572 222.8108 34.81456 -0.7610474     41.16487 
1 1 1 -8  11  18 o 94.70634 31.29567 268.8418       164.6829 114.3746       192.7816 685.9158       316.7773 76.25568 31.80544 137.3289 43.23574 -61.07325      53.67416 
1 1 1 -8  11  19 o 122.1460 30.16756 455.9851       175.1137 368.8787       207.4153 672.1583       326.7509 105.3455 35.13207 130.3518 44.10077 -25.00624      56.38386 
1 1 1 -8  11  20 o 88.31995 36.03973 245.9054       240.3815 257.6325       344.2819 234.7505       335.7793 91.16747 40.26621 89.56196 39.65154 1.605507       56.51205 
1 1 1 -8  11  21 o 93.82845 36.10935 313.3838       228.3318 467.3549       290.6903 65.36161       368.9405 106.5457 40.80927 80.35957 37.74334 26.18616       55.58737 
1 1 1 -8  11  22 o 103.9699 33.66242 388.0306       190.9798 456.6669       217.0722 152.9056       401.7694 110.0434 35.90747 82.71672 39.01606 27.32671       53.02452 
1 1 1 -8  11  23 o 88.28005 33.66208 298.7928       197.2084 352.8745       224.5665 116.5148       412.2750 92.58570 35.76300 77.86108 37.48559 14.72462       51.80890 
1 1 1 -8  11  24 o 135.1875 33.26987 680.9114       213.5474 699.2449       247.5066 627.5134       422.4023 127.7131 37.84335 94.66681 42.97438 33.04627       57.26182 
1 1 1 -8  12  1  o 93.60566 13.99207 218.6332       60.69839 0.000000       0.000000 218.6332       60.69839 ?        ?        93.60566 13.99207 0.000000       13.99207 
1 1 1 -8  12  2  o 71.06860 17.95140 130.1089       61.00175 0.000000       0.000000 130.1089       61.00175 ?        ?        71.06860 17.95140 0.000000       17.95140 
1 1 1 -8  12  3  o 298.4344 8.909274 2151.519       126.9735 0.000000       0.000000 2151.519       126.9735 ?        ?        298.4344 8.909274 0.000000       8.909274 
1 1 1 -8  12  4  o 82.86462 14.02418 172.4603       53.57916 0.000000       0.000000 172.4603       53.57916 ?        ?        82.86462 14.02418 0.000000       14.02418 
1 1 1 -8  12  5  o 84.71420 14.49707 180.7398       56.60493 0.000000       0.000000 180.7398       56.60493 ?        ?        84.71420 14.49707 0.000000       14.49707 
1 1 1 -8  12  6  o 117.3178 12.85987 340.0751       70.94812 0.000000       0.000000 340.0751       70.94812 ?        ?        117.3178 12.85987 0.000000       12.85987 
1 1 1 -8  12  7  o 97.01685 13.58105 234.9812       61.26927 0.000000       0.000000 234.9812       61.26927 ?        ?        97.01685 13.58105 0.000000       13.58105 
1 1 1 -8  12  8  o 64.97578 16.86869 109.0977       52.85594 0.000000       0.000000 109.0977       52.85594 ?        ?        64.97578 16.86869 0.000000       16.86869 
1 1 1 -8  12  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12  10 o 125.6074 13.08558 391.5105       77.42996 0.000000       0.000000 391.5105       77.42996 ?        ?        125.6074 13.08558 0.000000       13.08558 
1 1 1 -8  12  11 o 191.5388 10.71076 896.9108       97.69042 0.000000       0.000000 896.9108       97.69042 ?        ?        191.5388 10.71076 0.000000       10.71076 
1 1 1 -8  12  12 o 243.5638 8.663113 1439.078       100.7170 1366.635       186.3304 1468.981       119.7123 232.6760 16.86481 245.3839 10.22675 -12.70787      19.72329 
1 1 1 -8  12  13 o 92.60843 14.66940 217.8284       62.78700 127.1471       154.3850 235.7993       68.72741 75.54847 29.52059 96.12707 15.48026 -20.57860      33.33322 
1 1 1 -8  12  14 o 187.3887 17.63967 897.8301       156.1721 1026.874       184.0975 566.6071       294.9442 199.0190 19.60258 129.1092 41.83577 69.90974       46.20057 
1 1 1 -8  12  15 o 99.15376 26.40757 280.6170       127.4121 474.2265       178.2747 78.46727       182.1642 126.9810 29.86918 71.97283 30.51834 55.00814       42.70289 
1 1 1 -8  12  16 o 136.6300 20.53822 500.3700       130.0111 546.7183       138.8223 169.6386       370.8343 142.5769 20.99358 90.73446 40.81270 51.84240       45.89561 
1 1 1 -8  12  17 o 77.24461 26.42988 170.2911       117.4026 169.8221       123.4636 174.7191       379.3641 77.24303 27.06866 89.05219 40.54305 -11.80917      48.74885 
1 1 1 -8  12  18 o 166.2805 22.16635 767.2188       171.8299 970.6299       227.1528 495.1279       262.7166 181.5760 26.98616 113.5442 39.50622 68.03186       47.84343 
1 1 1 -8  12  19 o 116.0908 28.57144 420.3853       157.4857 705.1830       229.3603 166.3434       216.6221 145.1723 33.69686 78.70333 33.32191 66.46899       47.39017 
1 1 1 -8  12  20 o 147.6817 19.61449 600.7177       135.0669 595.9070       167.2053 609.7515       229.1332 140.7203 25.80398 128.7842 35.88368 11.93610       44.19824 
1 1 1 -8  12  21 o 159.1780 24.50544 763.8282       180.5156 907.4697       242.2051 584.3365       270.7481 161.7988 32.44149 112.7447 40.03415 49.05412       51.52847 
1 1 1 -8  12  22 f 81.39901 34.30577 269.1668       227.8917 282.1374       273.1870 239.4871       413.2463 81.43673 35.92274 79.03832 37.91656 2.398407       52.23130 
1 1 1 -8  13  1  o 46.62238 18.74088 29.68097       63.89666 0.000000       0.000000 29.68097       63.89666 ?        ?        46.62238 18.74088 0.000000       18.74088 
1 1 1 -8  13  2  o 97.20396 13.61025 236.4366       61.51868 0.000000       0.000000 236.4366       61.51868 ?        ?        97.20396 13.61025 0.000000       13.61025 
1 1 1 -8  13  3  o 249.2189 9.548211 1508.291       113.5553 0.000000       0.000000 1508.291       113.5553 ?        ?        249.2189 9.548211 0.000000       9.548211 
1 1 1 -8  13  4  o 187.8702 10.92408 862.7365       97.69531 0.000000       0.000000 862.7365       97.69531 ?        ?        187.8702 10.92408 0.000000       10.92408 
1 1 1 -8  13  5  o 117.7071 28.09317 386.8730       155.8898 0.000000       0.000000 386.8730       155.8898 ?        ?        117.7071 28.09317 0.000000       28.09317 
1 1 1 -8  13  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  13  7  o 114.6932 13.66955 328.8497       73.48150 0.000000       0.000000 328.8497       73.48150 ?        ?        114.6932 13.66955 0.000000       13.66955 
1 1 1 -8  13  8  o 50.01697 17.86594 56.13803       53.99685 0.000000       0.000000 56.13803       53.99685 ?        ?        50.01697 17.86594 0.000000       17.86594 
1 1 1 -8  13  9  o 187.3940 10.87735 860.6689       97.03236 0.000000       0.000000 860.6689       97.03236 ?        ?        187.3940 10.87735 0.000000       10.87735 
1 1 1 -8  13  10 o 65.26433 20.14623 111.2106       69.14336 0.000000       0.000000 111.2106       69.14336 ?        ?        65.26433 20.14623 0.000000       20.14623 
1 1 1 -8  13  11 o 49.22019 16.33201 59.16633       44.83648 0.000000       0.000000 59.16633       44.83648 ?        ?        49.22019 16.33201 0.000000       16.33201 
1 1 1 -8  13  12 o 41.16843 17.59773 6.075369       61.42757 0.000000       0.000000 6.075369       61.42757 ?        ?        41.16843 17.59773 0.000000       17.59773 
1 1 1 -8  13  13 f 142.0472 11.71675 502.1998       78.86282 463.6830       168.2964 513.0370       89.27060 124.9312 28.77121 142.8212 13.22412 -17.88999      31.66480 
1 1 1 -8  13  14 o 126.0503 12.33504 399.1589       73.38445 699.0398       173.2339 333.5768       81.01237 158.2019 23.62703 113.6678 15.29535 44.53416       28.14577 
1 1 1 -8  13  15 o 57.70035 16.83109 88.64897       49.28533 12.03323       106.1053 109.7269       55.65340 51.90846 22.65655 63.73453 17.65704 -11.82607      28.72439 
1 1 1 -8  13  16 o 126.3167 18.84846 430.6144       110.3488 433.2888       131.1690 424.1380       204.1185 123.3613 23.08890 110.0128 34.71561 13.34848       41.69258 
1 1 1 -8  13  17 o 172.2346 23.08143 846.4534       185.2802 780.6805       212.8432 1052.214       376.4585 158.0387 29.24698 150.7618 47.08551 7.276901       55.42952 
1 1 1 -8  13  18 o 155.0790 20.29392 673.1973       146.8555 653.9601       158.9955 784.9332       383.1870 150.0030 22.89482 117.6645 46.34893 32.33847       51.69523 
1 1 1 -8  13  19 f 134.2486 27.25529 577.3342       168.9508 661.7266       228.7630 476.0684       250.5911 130.7682 35.62932 102.4396 38.18752 28.32856       52.22772 
1 1 1 -8  13  20 o 73.98611 30.01764 188.4080       165.6262 -37.83560      228.4392 439.1435       240.4864 60.40484 28.76114 96.84798 37.11245 -36.44315      46.95250 
1 1 1 -8  14  1  o 193.8677 11.82155 925.1717       109.0483 0.000000       0.000000 925.1717       109.0483 ?        ?        193.8677 11.82155 0.000000       11.82155 
1 1 1 -8  14  2  o 212.7488 10.39096 1106.756       105.3697 0.000000       0.000000 1106.756       105.3697 ?        ?        212.7488 10.39096 0.000000       10.39096 
1 1 1 -8  14  3  o 67.42375 19.99199 119.7962       69.05626 0.000000       0.000000 119.7962       69.05626 ?        ?        67.42375 19.99199 0.000000       19.99199 
1 1 1 -8  14  4  o 116.4577 14.75166 343.0237       80.29306 0.000000       0.000000 343.0237       80.29306 ?        ?        116.4577 14.75166 0.000000       14.75166 
1 1 1 -8  14  5  o 170.2131 10.94492 712.7148       88.59435 0.000000       0.000000 712.7148       88.59435 ?        ?        170.2131 10.94492 0.000000       10.94492 
1 1 1 -8  14  6  o 89.93923 17.64312 212.4900       73.15216 0.000000       0.000000 212.4900       73.15216 ?        ?        89.93923 17.64312 0.000000       17.64312 
1 1 1 -8  14  7  o 58.78692 16.25764 90.52964       47.22755 0.000000       0.000000 90.52964       47.22755 ?        ?        58.78692 16.25764 0.000000       16.25764 
1 1 1 -8  14  8  o 64.03140 18.79608 109.2849       61.29676 0.000000       0.000000 109.2849       61.29676 ?        ?        64.03140 18.79608 0.000000       18.79608 
1 1 1 -8  14  9  o 111.3408 16.41879 322.4836       84.77856 0.000000       0.000000 322.4836       84.77856 ?        ?        111.3408 16.41879 0.000000       16.41879 
1 1 1 -8  14  10 o 152.6622 13.25870 588.1332       95.81136 0.000000       0.000000 588.1332       95.81136 ?        ?        152.6622 13.25870 0.000000       13.25870 
1 1 1 -8  14  11 o 96.64362 16.72363 246.7821       74.47410 0.000000       0.000000 246.7821       74.47410 ?        ?        96.64362 16.72363 0.000000       16.72363 
1 1 1 -8  14  12 o 46.32904 19.06716 29.69842       68.01335 0.000000       0.000000 29.69842       68.01335 ?        ?        46.32904 19.06716 0.000000       19.06716 
1 1 1 -8  14  13 f 59.48803 20.87992 92.51141       73.48141 0.000000       0.000000 92.51141       73.48141 ?        ?        59.48803 20.87992 0.000000       20.87992 
1 1 1 -8  14  14 o 149.5571 13.42508 572.4186       94.97112 0.000000       0.000000 572.4186       94.97112 ?        ?        149.5571 13.42508 0.000000       13.42508 
1 1 1 -8  14  15 o 123.6650 11.80404 388.4559       68.94306 398.0445       127.0934 384.4578       82.06708 115.6593 23.77930 121.3089 14.43303 -5.649574      27.81667 
1 1 1 -8  14  16 o 148.3004 12.10896 561.8625       85.10667 574.2213       197.8336 559.0559       94.27628 126.6330 32.51250 146.7224 13.59453 -20.08939      35.24023 
1 1 1 -8  14  17 o 45.03490 21.86392 -149.8080      147.7632 -115.2949      189.9264 -202.7334      235.1938 52.86403 25.44887 54.29924 26.62431 -1.435219      36.83067 
1 1 1 -8  15  1  o 222.4789 12.13472 1233.284       128.5818 0.000000       0.000000 1233.284       128.5818 ?        ?        222.4789 12.13472 0.000000       12.13472 
1 1 1 -8  15  2  o 48.10659 20.16229 24.79801       78.03639 0.000000       0.000000 24.79801       78.03639 ?        ?        48.10659 20.16229 0.000000       20.16229 
1 1 1 -8  15  3  f 312.8726 10.26770 2410.751       153.3770 0.000000       0.000000 2410.751       153.3770 ?        ?        312.8726 10.26770 0.000000       10.26770 
1 1 1 -8  15  4  o 100.1125 20.30515 274.3713       93.85760 0.000000       0.000000 274.3713       93.85760 ?        ?        100.1125 20.30515 0.000000       20.30515 
1 1 1 -8  15  5  o 45.18834 18.91411 21.37905       68.53526 0.000000       0.000000 21.37905       68.53526 ?        ?        45.18834 18.91411 0.000000       18.91411 
1 1 1 -8  15  6  f 159.1937 12.95135 639.5889       97.72022 0.000000       0.000000 639.5889       97.72022 ?        ?        159.1937 12.95135 0.000000       12.95135 
1 1 1 -8  15  7  o 187.6698 14.13876 897.7100       125.9240 0.000000       0.000000 897.7100       125.9240 ?        ?        187.6698 14.13876 0.000000       14.13876 
1 1 1 -8  15  8  o 54.25002 20.68999 66.56386       74.51035 0.000000       0.000000 66.56386       74.51035 ?        ?        54.25002 20.68999 0.000000       20.68999 
1 1 1 -8  15  9  o 108.4165 18.16502 318.0324       90.82658 0.000000       0.000000 318.0324       90.82658 ?        ?        108.4165 18.16502 0.000000       18.16502 
1 1 1 -8  15  10 o 209.9699 12.00553 1112.443       120.0143 0.000000       0.000000 1112.443       120.0143 ?        ?        209.9699 12.00553 0.000000       12.00553 
1 1 1 -8  15  11 o 127.1660 14.50958 422.5078       86.63669 0.000000       0.000000 422.5078       86.63669 ?        ?        127.1660 14.50958 0.000000       14.50958 
1 1 1 -8  15  12 o 98.72204 18.08776 270.0522       82.22533 0.000000       0.000000 270.0522       82.22533 ?        ?        98.72204 18.08776 0.000000       18.08776 
1 1 1 -8  15  13 o 93.11703 20.25605 251.4641       87.60471 0.000000       0.000000 251.4641       87.60471 ?        ?        93.11703 20.25605 0.000000       20.25605 
1 1 1 -8  16  1  o 89.60422 25.57063 247.1350       114.9261 0.000000       0.000000 247.1350       114.9261 ?        ?        89.60422 25.57063 0.000000       25.57063 
1 1 1 -8  16  2  o 101.0071 19.58506 284.6268       91.16264 0.000000       0.000000 284.6268       91.16264 ?        ?        101.0071 19.58506 0.000000       19.58506 
1 1 1 -8  16  3  o 175.9120 12.78926 788.9239       106.8249 0.000000       0.000000 788.9239       106.8249 ?        ?        175.9120 12.78926 0.000000       12.78926 
1 1 1 -8  16  4  o 131.8140 16.49425 463.9374       101.6756 0.000000       0.000000 463.9374       101.6756 ?        ?        131.8140 16.49425 0.000000       16.49425 
1 1 1 -8  16  5  o 75.31205 22.36495 168.5711       86.36990 0.000000       0.000000 168.5711       86.36990 ?        ?        75.31205 22.36495 0.000000       22.36495 
1 1 1 -8  16  6  o 77.38746 16.50779 163.9238       59.21190 0.000000       0.000000 163.9238       59.21190 ?        ?        77.38746 16.50779 0.000000       16.50779 
1 1 1 -8  16  7  o 41.50057 16.25473 33.65549       46.89910 0.000000       0.000000 33.65549       46.89910 ?        ?        41.50057 16.25473 0.000000       16.25473 
1 1 1 -7  -23 1  o 67.55425 25.51093 106.7065       112.6044 106.7065       112.6044 0.000000       0.000000 67.55425 25.51093 ?        ?        0.000000       25.51093 
1 1 1 -7  -23 2  o 64.71996 25.36762 88.44794       114.2957 88.44794       114.2957 0.000000       0.000000 64.71996 25.36762 ?        ?        0.000000       25.36762 
1 1 1 -7  -23 3  o 38.53647 18.05601 -69.26111      83.56232 -69.26111      83.56232 0.000000       0.000000 38.53647 18.05601 ?        ?        0.000000       18.05601 
1 1 1 -7  -23 4  o 150.9268 11.68419 565.7539       83.65281 518.8136       112.1770 624.5590       125.5562 141.6553 16.89664 155.3641 17.19085 -13.70879      24.10439 
1 1 1 -7  -23 5  o 59.54943 22.31755 82.11271       85.81983 107.9348       144.6728 68.09293       106.6011 70.08322 28.18987 60.07725 24.18653 10.00597       37.14373 
1 1 1 -7  -23 6  o 34.13833 15.93120 -51.06860      63.98177 -145.5585      80.67034 109.1651       105.0505 31.73248 15.56611 66.29427 24.72274 -34.56179      29.21502 
1 1 1 -7  -22 1  o 179.6292 15.01196 805.2979       127.7429 805.2979       127.7429 0.000000       0.000000 179.6292 15.01196 ?        ?        0.000000       15.01196 
1 1 1 -7  -22 2  o 216.5648 13.55255 1160.789       139.6158 1160.789       139.6158 0.000000       0.000000 216.5648 13.55255 ?        ?        0.000000       13.55255 
1 1 1 -7  -22 3  o 134.7158 12.98924 450.6264       82.62257 303.5933       118.4210 590.0891       115.3321 105.6202 23.99893 152.9324 16.01105 -47.31214      28.84965 
1 1 1 -7  -22 4  o 42.12667 18.84669 -23.78736      77.91458 37.45861       138.7012 -52.02424      94.17809 62.69550 26.60908 43.55639 19.97008 19.13911       33.26931 
1 1 1 -7  -22 5  o 72.60726 20.19496 139.9797       72.64385 97.85558       102.8270 181.9515       102.6410 65.60155 24.46063 81.74199 24.40676 -16.14043      34.55449 
1 1 1 -7  -22 6  o 89.18359 20.71642 212.9433       86.63696 185.1334       148.9521 227.1618       106.5063 83.18739 29.67780 90.85564 24.11964 -7.668259      38.24303 
1 1 1 -7  -22 7  o 35.13302 16.50939 -65.83707      70.73994 -112.5208      102.7126 -23.71247      97.56831 40.47842 19.27682 47.17277 21.09821 -6.694347      28.57849 
1 1 1 -7  -22 8  o 35.14140 16.43076 -57.95757      68.59238 -197.2411      93.14903 107.0338       101.3816 32.53773 16.10517 66.40859 24.37337 -33.87086      29.21366 
1 1 1 -7  -22 9  o 41.79634 18.65754 -18.58327      75.91131 -138.2999      111.0876 86.29314       103.9746 40.55821 19.50901 62.90154 24.32451 -22.34333      31.18146 
1 1 1 -7  -22 10 o 91.13948 25.18479 238.1798       113.3833 590.3032       208.4641 90.25164       135.1167 138.4118 32.12351 66.95341 27.13130 71.45843       42.04792 
1 1 1 -7  -21 1  o 167.8450 13.72462 693.2139       109.1721 693.2139       109.1721 0.000000       0.000000 167.8450 13.72462 ?        ?        0.000000       13.72462 
1 1 1 -7  -21 2  o 201.5283 9.613626 984.0546       92.35864 1012.555       130.4314 955.3933       130.7991 203.1215 13.50805 197.1020 13.97106 6.019531       19.43342 
1 1 1 -7  -21 3  o 115.9645 12.92634 331.9903       70.44832 324.8118       94.56392 340.9431       105.6061 113.0214 18.11223 115.1842 19.89651 -2.162849      26.90583 
1 1 1 -7  -21 4  o 55.30381 19.90602 66.98860       67.17202 -33.14291      93.46347 173.9659       96.60560 45.85054 20.56737 81.31319 23.51942 -35.46264      31.24387 
1 1 1 -7  -21 5  o 199.4856 12.27645 974.5545       116.5155 1080.530       201.4369 921.2706       142.8345 205.6920 20.76806 192.5020 15.65495 13.19006       26.00749 
1 1 1 -7  -21 6  o 67.25576 16.81348 116.9305       53.91225 79.44008       90.47091 137.5742       67.13407 61.30894 22.92716 72.59400 19.09220 -11.28506      29.83567 
1 1 1 -7  -21 7  o 91.08121 14.99249 210.1689       63.01509 49.52611       110.8637 286.8406       76.59069 59.83152 24.45221 106.5453 15.48938 -46.71376      28.94532 
1 1 1 -7  -21 8  o 87.95097 16.89132 199.5011       68.44420 17.86931       158.2287 241.3096       75.91393 64.19543 27.84715 96.89926 17.00676 -32.70383      32.62965 
1 1 1 -7  -21 9  o 138.3627 13.72678 477.0101       89.60627 268.4718       139.5721 623.2331       116.8728 97.63999 28.27832 157.3704 15.74516 -59.73043      32.36624 
1 1 1 -7  -21 10 o 46.58472 19.58728 15.93816       74.01642 -73.53359      193.8017 31.21729       80.08735 62.20503 28.56723 50.50562 20.72799 11.69941       35.29499 
1 1 1 -7  -21 11 o 183.0984 14.23493 838.1298       123.6303 599.7296       216.4124 953.6235       150.6289 142.0860 32.55762 194.0210 16.39191 -51.93497      36.45125 
1 1 1 -7  -21 12 o 78.71220 20.72837 167.8892       79.06687 369.1199       147.9127 87.38495       93.55516 113.1928 27.58780 62.02832 23.29012 51.16445       36.10424 
1 1 1 -7  -21 13 o 50.28047 22.18688 -6.048853      104.2950 -31.04639      141.0038 24.14789       154.9752 55.17421 24.95965 62.55741 27.34139 -7.383205      37.02074 
1 1 1 -7  -20 1  o 60.73586 13.06136 93.02631       36.79900 45.31090       52.65918 138.5673       51.44535 47.64198 17.55235 74.02245 15.05031 -26.38047      23.12135 
1 1 1 -7  -20 2  o 255.9570 8.082309 1578.300       98.77934 1504.767       143.5611 1644.413       136.1254 248.7174 12.10959 260.4301 10.95749 -11.71272      16.33122 
1 1 1 -7  -20 3  o 33.92780 14.72563 -5.475710      44.29611 -60.39762      58.16040 70.38895       68.35564 31.72316 14.92661 56.52396 20.11110 -24.80080      25.04516 
1 1 1 -7  -20 4  o 40.19656 16.52245 14.43591       50.98685 -45.91568      160.4758 21.21234       53.77318 60.27284 27.00017 42.45340 17.14734 17.81944       31.98500 
1 1 1 -7  -20 5  o 258.6074 12.37629 1629.477       152.5730 1558.545       225.1432 1689.715       207.4791 249.7314 18.99981 261.3583 16.69189 -11.62688      25.29055 
1 1 1 -7  -20 6  o 182.6363 12.44191 815.0228       107.9895 669.5421       180.1676 896.5933       134.9089 160.6339 24.21174 190.7175 14.91445 -30.08357      28.43676 
1 1 1 -7  -20 7  o 104.0745 13.14691 268.0394       63.95794 98.59210       101.3477 380.1854       82.44955 66.89711 24.39845 123.9216 14.17111 -57.02452      28.21533 
1 1 1 -7  -20 8  o 58.64543 20.69562 77.94003       72.26046 213.9084       149.7505 36.67149       82.50094 90.38481 29.84210 52.67256 21.25209 37.71225       36.63608 
1 1 1 -7  -20 9  o 230.0872 11.79615 1291.638       129.3270 1310.299       198.0857 1277.774       170.7381 228.5641 18.27970 227.0239 15.82996 1.540207       24.18130 
1 1 1 -7  -20 10 o 237.3350 12.45680 1380.190       140.8489 1431.310       208.9147 1337.591       190.7086 238.2733 18.48387 230.9821 17.39753 7.291153       25.38360 
1 1 1 -7  -20 11 o 50.62911 20.36991 36.39558       75.56089 333.2614       192.3636 -17.76573      82.16508 107.3665 33.67668 44.29029 19.61121 63.07620       38.97074 
1 1 1 -7  -20 12 o 145.2385 14.95156 528.2424       102.3375 296.5464       166.4053 669.1750       129.7817 101.7659 31.22505 162.6404 16.93870 -60.87448      35.52356 
1 1 1 -7  -20 13 o 82.10909 21.10962 180.2806       83.32186 336.6194       140.2860 95.06954       103.5688 109.8084 26.93073 65.37138 24.51335 44.43701       36.41660 
1 1 1 -7  -20 14 o 43.38724 19.58316 -32.17668      86.22585 -8.939586      245.4445 -35.44825      92.09594 73.40763 33.09501 44.60429 20.17550 28.80334       38.75991 
1 1 1 -7  -20 15 o 82.00388 24.19125 186.5811       101.3246 208.5692       126.1692 146.6405       170.0465 85.79379 27.32064 78.30016 30.86572 7.493622       41.22026 
1 1 1 -7  -20 16 o 67.08006 24.28777 113.4705       100.1804 128.4575       135.1282 95.18013       149.2794 72.42094 27.80227 69.42996 28.37448 2.990982       39.72502 
1 1 1 -7  -19 1  o 291.2683 8.573747 2042.093       119.2612 2054.414       137.8654 2005.460       237.7255 291.8123 9.896283 285.5449 17.49780 6.267456       20.10247 
1 1 1 -7  -19 2  o 58.37079 13.47880 85.90607       36.85479 66.36549       50.82053 107.5823       53.52570 52.98576 17.37925 65.12115 17.00948 -12.13540      24.31791 
1 1 1 -7  -19 3  o 325.0974 9.443725 2547.372       146.6239 2494.776       288.4493 2565.697       170.2613 317.7321 19.07677 325.8067 10.94624 -8.074585      21.99416 
1 1 1 -7  -19 4  o 275.7025 12.00812 1842.619       157.8997 1892.401       225.8151 1794.991       220.8748 277.4481 17.10725 270.1511 17.19055 7.296936       24.25228 
1 1 1 -7  -19 5  o 95.23611 11.50763 222.4038       51.33460 325.8071       80.76909 152.3255       66.49203 114.6759 15.09855 77.20535 18.29583 37.47058       23.72137 
1 1 1 -7  -19 6  o 154.0372 10.54198 575.6401       77.16676 680.4259       115.7054 491.6945       103.5622 166.4447 14.69101 141.0276 15.62156 25.41716       21.44432 
1 1 1 -7  -19 7  o 71.87212 18.13661 132.3439       62.31035 155.9571       97.25164 115.8999       81.15643 78.13867 23.85095 68.44004 21.92433 9.698631       32.39667 
1 1 1 -7  -19 8  o 79.57233 20.11357 163.5802       76.54316 190.0189       94.63748 113.5704       130.1581 85.38453 22.76755 73.44122 27.49262 11.94331       35.69601 
1 1 1 -7  -19 9  o 406.4338 9.107271 3983.929       176.9646 3577.605       262.4049 4322.893       239.6692 382.3859 14.37925 421.8990 11.89403 -39.51309      18.66094 
1 1 1 -7  -19 10 o 150.3021 14.86636 558.3069       105.4285 437.7549       143.1372 701.2646       155.8724 129.5006 24.00283 166.5785 19.96988 -37.07787      31.22390 
1 1 1 -7  -19 11 o 125.0427 21.69909 403.4767       125.0186 113.2774       196.7435 600.0121       161.9097 81.29660 32.81253 152.4958 22.91588 -71.19919      40.02249 
1 1 1 -7  -19 12 o 109.7534 21.60330 313.6139       109.3188 283.7697       148.8441 348.5665       161.0802 102.0594 29.09227 112.7090 29.54066 -10.64960      41.46095 
1 1 1 -7  -19 13 o 172.8464 15.00886 741.7688       122.7987 912.6293       172.8655 567.7161       174.4729 189.6377 19.33698 145.7045 26.00040 43.93321       32.40277 
1 1 1 -7  -19 14 o 189.5529 15.37746 895.9179       138.1596 547.7169       255.2489 1040.206       164.3101 134.1175 38.05314 203.3916 17.05442 -69.27411      41.70005 
1 1 1 -7  -19 15 o 126.5141 13.50275 398.4824       80.41032 312.5986       137.4942 443.1256       99.13029 106.0031 27.04604 132.4776 15.97349 -26.47453      31.41083 
1 1 1 -7  -19 16 o 107.3418 14.92667 291.2713       74.53237 378.4058       140.0319 256.8297       88.03881 117.1936 25.70184 98.94386 19.30469 18.24972       32.14429 
1 1 1 -7  -19 17 o 116.4197 18.44277 353.1174       99.23338 194.1583       161.0119 450.4773       126.0102 84.57236 30.76666 130.3440 20.92940 -45.77164      37.21058 
1 1 1 -7  -19 18 o 59.53276 24.18322 60.20633       107.6521 -325.7311      273.3434 131.0568       117.1174 60.08480 29.29781 71.65817 26.21348 -11.57337      39.31295 
1 1 1 -7  -18 1  o 114.5641 8.708456 317.3429       47.34042 358.1299       62.70143 263.2664       72.19727 121.3728 10.92227 103.0204 15.10717 18.35244       18.64196 
1 1 1 -7  -18 2  o 46.35483 14.36128 52.04733       35.09855 47.80519       59.29841 54.33500       43.54586 49.92446 18.58307 48.39866 16.09633 1.525803       24.58500 
1 1 1 -7  -18 3  o 197.2039 9.597923 938.4694       90.21836 1066.123       143.7141 855.4436       115.9016 209.0102 14.47149 187.5057 13.00973 21.50444       19.45963 
1 1 1 -7  -18 4  o 204.1090 10.49646 1007.119       102.0827 1086.010       147.3323 934.2740       141.5733 210.8658 14.70666 195.3384 15.28106 15.52744       21.20841 
1 1 1 -7  -18 5  o 65.82144 24.51125 86.89155       103.1888 86.89155       103.1888 0.000000       0.000000 65.82144 24.51125 ?        ?        0.000000       24.51125 
1 1 1 -7  -18 6  o 76.56509 15.39661 147.6411       54.40358 55.43226       73.70812 257.9928       80.63409 54.65506 20.63981 101.3846 17.25299 -46.72956      26.90107 
1 1 1 -7  -18 7  o 276.6036 10.75576 1848.478       141.9641 1995.723       192.3180 1672.179       210.4387 286.3556 14.09100 261.0005 16.95638 25.35510       22.04711 
1 1 1 -7  -18 8  f 158.9986 10.78287 612.7737       81.48151 731.0303       132.4880 540.8345       103.3349 172.3037 16.27612 148.4084 14.75939 23.89529       21.97161 
1 1 1 -7  -18 9  o 160.9579 12.50783 631.2559       95.49548 526.6588       184.3103 669.6393       111.6507 141.5550 28.22492 165.3483 14.26314 -23.79330      31.62409 
1 1 1 -7  -18 10 f 277.5434 11.89706 1869.050       157.4958 2170.036       235.6704 1626.141       211.7159 297.0282 16.66263 256.6877 17.35403 40.34048       24.05838 
1 1 1 -7  -18 11 o 239.2613 12.53931 1393.618       142.9341 1439.974       211.4441 1354.609       193.9638 240.6956 18.51688 233.9056 17.47110 6.789993       25.45809 
1 1 1 -7  -18 12 o 177.6174 13.32094 772.2682       112.2932 645.5236       174.4634 861.9162       146.7269 158.2454 23.79631 186.5157 16.62874 -28.27032      29.03066 
1 1 1 -7  -18 13 o 112.0305 14.50146 311.7015       75.85006 215.4711       145.6941 347.4809       88.83887 90.88452 29.39975 117.8673 16.19280 -26.98280      33.56414 
1 1 1 -7  -18 14 o 75.37782 19.40333 146.9731       70.33631 315.0007       238.2090 130.9243       73.61871 107.8257 37.61203 71.34936 20.49912 36.47637       42.83548 
1 1 1 -7  -18 15 o 64.40487 21.84422 100.1209       80.17046 93.64461       119.1393 105.4802       108.3793 68.27071 26.13169 68.76388 25.20663 -0.4931717     36.30757 
1 1 1 -7  -18 16 o 83.04084 21.48500 182.4876       85.94073 111.1000       129.8093 238.1955       114.6708 71.82523 27.32903 93.84341 25.07918 -22.01817      37.09234 
1 1 1 -7  -18 17 o 74.00610 19.99678 144.3743       72.41526 306.8372       212.1258 122.9434       77.04359 103.0071 35.51665 68.81510 21.27015 34.19198       41.39869 
1 1 1 -7  -18 18 o 88.80394 18.93897 207.0461       77.95236 149.4391       191.6894 218.4602       85.32629 82.06420 32.63683 90.80688 20.17802 -8.742683      38.37076 
1 1 1 -7  -18 19 o 136.2314 18.04324 478.8891       114.6302 129.0342       208.3976 630.6619       137.2606 80.39450 33.25988 156.1484 18.76190 -75.75389      38.18676 
1 1 1 -7  -18 20 o 62.97466 20.85787 102.5649       73.13840 403.1154       200.2959 56.32533       78.56335 113.0524 34.17192 54.02961 21.07414 59.02276       40.14772 
1 1 1 -7  -17 1  o 157.4973 8.489799 597.4971       63.68991 567.2210       80.75700 647.3137       103.5898 153.0223 11.11444 163.0581 13.40651 -10.03581      17.41452 
1 1 1 -7  -17 2  o 298.7078 12.31153 2158.036       175.4427 2317.948       249.3461 2001.248       246.8989 307.9951 16.99958 285.6687 18.17211 22.32635       24.88396 
1 1 1 -7  -17 3  o 137.0081 9.980690 454.0690       64.92713 435.5608       94.57639 470.5670       89.29291 133.1479 15.12502 138.7959 13.63218 -5.648071      20.36179 
1 1 1 -7  -17 4  o 150.0447 10.46764 544.7955       74.61832 510.0754       112.8272 571.7874       99.48086 143.7893 16.72439 153.0788 13.73900 -9.289444      21.64406 
1 1 1 -7  -17 5  o 276.0876 9.322042 1835.372       122.8692 1854.333       225.2069 1827.337       146.6121 275.1425 17.20660 275.0488 11.17266 0.9378052E-01  20.51574 
1 1 1 -7  -17 6  o 151.8754 10.27069 558.1001       74.13677 520.3561       109.2040 590.3668       100.9699 145.3691 15.97596 155.5093 13.72148 -10.14020      21.05968 
1 1 1 -7  -17 7  o 118.4780 12.41621 343.0069       69.28567 373.8626       147.8348 334.3217       78.43304 119.8059 26.51237 116.5190 14.38483 3.286972       30.16338 
1 1 1 -7  -17 8  o 159.9097 10.75472 619.4010       81.74275 653.6772       131.8260 597.9888       104.1922 162.6796 17.21026 156.3718 14.08786 6.307785       22.24098 
1 1 1 -7  -17 9  f 148.6615 12.27544 537.9901       86.46883 696.4356       170.9697 483.5317       100.2331 166.2907 22.04792 140.1934 15.19739 26.09729       26.77819 
1 1 1 -7  -17 10 o 217.4658 10.16812 1142.003       105.4231 970.9145       184.1954 1225.350       128.5626 197.6600 19.75621 224.8395 12.00358 -27.17946      23.11696 
1 1 1 -7  -17 11 o 57.41650 20.95483 67.97123       74.77626 165.8538       177.2950 46.79219       82.47018 86.99132 32.17879 54.90434 21.53996 32.08698       38.72266 
1 1 1 -7  -17 12 o 194.3050 10.64187 913.8708       98.48028 952.2685       167.9828 893.7629       121.5613 196.0953 18.12295 191.4630 13.36402 4.632233       22.51751 
1 1 1 -7  -17 13 o 86.53576 20.61799 193.2820       84.08102 -212.1514      191.5369 290.0602       93.57970 55.45046 26.38339 106.8886 19.00891 -51.43816      32.51802 
1 1 1 -7  -17 14 o 77.15713 22.08620 153.3090       85.61076 218.7798       141.2487 115.2921       107.6339 91.63950 28.87339 70.99461 25.23860 20.64489       38.34918 
1 1 1 -7  -17 15 o 204.2085 12.53924 1017.405       121.8300 735.3686       187.4349 1223.727       160.3140 168.9145 23.87483 223.0393 15.12369 -54.12476      28.26188 
1 1 1 -7  -17 16 o 227.7213 12.82475 1266.442       139.0600 1276.412       227.2249 1260.471       175.8332 224.4535 21.43493 225.6741 16.40923 -1.220566      26.99480 
1 1 1 -7  -17 17 o 88.38180 17.28595 199.6816       70.42289 -44.34580      131.1233 298.6053       83.48542 53.97909 24.27527 108.8130 16.57047 -54.83388      29.39165 
1 1 1 -7  -17 18 o 160.2945 15.15706 639.7852       114.7765 579.8164       207.6490 666.1675       137.7288 143.8798 31.09565 162.2714 18.05868 -18.39163      35.95908 
1 1 1 -7  -17 19 o 74.08506 21.24482 144.9625       79.14390 236.4285       321.9292 139.0788       81.64975 99.77312 41.31342 72.72379 21.78124 27.04932       46.70355 
1 1 1 -7  -17 20 o 120.3409 17.27745 370.7009       96.55656 798.4509       334.6738 331.8632       100.8448 154.8846 43.44469 112.8048 19.39817 42.07983       47.57868 
1 1 1 -7  -17 21 o 52.47554 23.21419 -11.30895      114.8720 -29.92092      211.0361 -3.472625      136.9358 67.23040 30.46231 57.64288 25.42975 9.587517       39.68154 
1 1 1 -7  -17 22 o 120.7600 18.75414 383.8817       104.7640 274.5406       239.9450 409.6355       116.4501 95.05211 36.89856 123.8387 20.37678 -28.78656      42.15112 
1 1 1 -7  -16 1  o 296.9702 9.285870 2120.995       131.6770 2317.783       253.8099 2048.523       154.0271 308.2000 17.29471 291.4742 11.07335 16.72574       20.53598 
1 1 1 -7  -16 2  o 122.6913 9.748684 364.1206       56.71332 398.5908       82.53008 333.2790       78.06549 127.7009 13.73353 116.5246 14.31341 11.17633       19.83641 
1 1 1 -7  -16 3  o 317.8801 9.475158 2430.691       143.8378 2478.297       170.3126 2312.269       268.6180 320.6021 11.12836 307.3887 18.36212 13.21332       21.47109 
1 1 1 -7  -16 4  o 435.5444 7.743131 4551.210       161.2343 4418.741       232.3277 4674.292       223.9428 428.1148 11.36099 440.6857 10.62918 -12.57086      15.55801 
1 1 1 -7  -16 5  o 46.26545 14.32231 51.67056       34.91622 109.4932       57.19687 17.32240       44.08338 65.91671 17.75491 38.74790 15.56959 27.16881       23.61459 
1 1 1 -7  -16 6  o 154.9335 10.50744 580.4690       77.37018 373.9880       112.9509 762.9953       106.1971 122.0441 20.05411 177.3214 12.60914 -55.27731      23.68877 
1 1 1 -7  -16 7  o 94.32550 16.17210 222.0996       70.30602 -48.88853      137.1832 318.6295       81.87602 55.95223 25.02165 113.5713 15.48193 -57.61907      29.42402 
1 1 1 -7  -16 8  o 310.0071 13.13668 2328.199       194.2585 2246.794       280.2053 2403.531       269.5504 302.1287 19.50304 313.1544 18.08105 -11.02576      26.59498 
1 1 1 -7  -16 9  f 239.6666 11.03855 1387.759       126.1420 1620.721       187.6886 1195.845       170.3524 257.8287 15.29517 221.0527 16.23241 36.77602       22.30321 
1 1 1 -7  -16 10 o 78.48313 14.72765 154.2548       53.23175 117.7824       105.1485 166.8237       61.72621 71.75040 24.99151 81.33844 16.43936 -9.588036      29.91368 
1 1 1 -7  -16 11 o 346.8553 13.85228 2922.357       229.2469 3012.669       331.4139 2839.498       317.4452 349.2458 19.93142 339.1770 19.66072 10.06879       27.99653 
1 1 1 -7  -16 12 o 193.3501 11.14695 905.1382       102.6040 836.0524       152.0787 962.8593       139.0085 184.0816 17.49010 198.5141 14.75221 -14.43245      22.88081 
1 1 1 -7  -16 13 o 221.4348 11.64031 1187.676       122.7979 1239.564       189.6262 1150.200       161.1524 224.2942 17.83029 216.7574 15.65637 7.536850       23.72848 
1 1 1 -7  -16 14 o 95.77904 15.54437 229.0003       68.74099 297.7276       126.4075 200.1419       81.91138 106.8556 25.16258 88.42670 19.86205 18.42894       32.05708 
1 1 1 -7  -16 15 o 196.7599 11.73750 940.2677       109.9113 1321.292       183.3875 726.6783       137.3041 231.6324 16.67159 171.3427 16.98466 60.28967       23.79959 
1 1 1 -7  -16 16 o 192.9020 12.00839 905.6926       110.1973 914.4850       172.5453 899.6359       143.2080 191.2699 19.12517 191.0097 15.82395 0.2602386      24.82276 
1 1 1 -7  -16 17 o 67.38718 22.50733 110.0633       85.12428 171.5936       124.2787 55.68405       116.8338 82.38841 27.18519 62.76583 25.30250 19.62258       37.13827 
1 1 1 -7  -16 18 o 71.68567 20.98854 131.8280       76.51575 397.8282       300.9293 113.4423       79.11592 118.9539 42.20980 67.50861 21.64907 51.44527       47.43785 
1 1 1 -7  -16 19 o 86.77362 21.22944 197.2868       87.33647 -176.1658      189.3614 298.1922       98.43080 56.38467 26.65298 107.5561 19.87391 -51.17144      33.24686 
1 1 1 -7  -16 20 o 53.71562 23.59735 -11.21132      116.7618 -177.9264      197.6806 78.11627       144.7003 57.29496 27.12754 69.28172 28.07620 -11.98676      39.04070 
1 1 1 -7  -16 21 o 202.9855 14.93089 1027.053       143.8829 2700.544       385.9144 756.8680       155.0635 318.1938 25.58373 171.7728 19.21054 146.4210       31.99331 
1 1 1 -7  -16 22 o 132.4819 25.01476 478.4192       152.6326 421.6821       398.1158 488.1957       165.2605 114.2263 46.46685 132.5670 26.99345 -18.34064      53.73839 
1 1 1 -7  -16 23 o 79.00703 23.28840 171.4332       93.93407 20.00563       231.3893 201.3127       102.7846 72.84400 32.54161 85.07683 24.15044 -12.23283      40.52407 
1 1 1 -7  -16 24 o 85.33478 29.78210 211.8969       149.3644 815.6933       379.3766 101.1349       162.4878 141.0648 47.51984 71.30938 29.42215 69.75541       55.89095 
1 1 1 -7  -15 1  o 153.4019 9.262748 567.0049       67.61619 480.9465       99.32582 641.3304       92.30695 140.2628 15.04685 162.7780 11.94441 -22.51520      19.21136 
1 1 1 -7  -15 2  o 223.8226 8.140728 1203.248       86.96640 1323.274       127.1693 1097.802       119.1957 234.2163 11.39097 213.2181 11.73835 20.99825       16.35675 
1 1 1 -7  -15 3  o 195.6845 10.28121 923.0618       95.84798 891.9949       137.0084 952.8398       134.1363 191.4284 15.09236 198.0731 14.26031 -6.644684      20.76381 
1 1 1 -7  -15 4  f 42.38357 15.26776 36.56517       39.52507 7.309419       50.67564 82.00636       63.15656 38.96009 16.28254 59.06540 19.37409 -20.10531      25.30764 
1 1 1 -7  -15 5  o 204.4076 10.46908 1007.598       101.9682 1014.823       146.5170 1000.812       141.9988 204.1814 15.11663 202.8486 14.74275 1.332733       21.11543 
1 1 1 -7  -15 6  o 101.3245 11.49304 250.3877       54.69244 244.1148       75.81140 257.1958       78.97939 98.98937 16.60664 101.6124 16.84750 -2.623024      23.65626 
1 1 1 -7  -15 7  o 219.4384 10.49607 1161.155       109.7961 1273.827       160.3524 1061.704       150.6514 228.9256 14.72935 208.7993 15.19562 20.12624       21.16272 
1 1 1 -7  -15 8  o 172.7684 10.59589 721.0049       87.09955 762.1364       133.7056 690.6832       114.7994 176.5017 16.01931 168.3367 14.40261 8.164917       21.54190 
1 1 1 -7  -15 9  o 161.9191 10.52600 633.6940       81.04184 579.6083       131.5528 666.7737       102.8823 153.0819 18.33954 165.6205 13.09986 -12.53860      22.53764 
1 1 1 -7  -15 10 o 97.53803 16.72901 237.7065       75.20336 419.1850       161.2896 187.2929       85.00954 127.1702 27.34192 85.64973 20.93879 41.52045       34.43854 
1 1 1 -7  -15 11 o 402.1015 15.31086 3932.129       293.7984 4006.498       420.8112 3861.405       410.3728 402.2964 21.96257 395.0163 21.81448 7.280121       30.95523 
1 1 1 -7  -15 12 o 337.7800 13.57897 2767.683       218.8382 2930.323       315.2765 2616.469       303.9995 345.1095 19.18398 325.8431 19.60511 19.26645       27.42965 
1 1 1 -7  -15 13 o 318.1858 13.28824 2456.231       201.6971 2547.134       292.9705 2374.324       278.0959 321.5200 19.14603 310.5426 18.81952 10.97736       26.84669 
1 1 1 -7  -15 14 o 129.5388 11.88898 408.7806       72.80922 533.7443       112.0877 317.5642       95.76401 147.1105 16.20510 112.4411 18.45392 34.66943       24.55917 
1 1 1 -7  -15 15 o 188.8351 11.56773 864.3806       103.9322 982.2027       154.5979 767.2176       140.3915 200.0249 16.30771 176.4686 16.84459 23.55632       23.44529 
1 1 1 -7  -15 16 o 268.9582 10.28150 1746.684       131.9620 1961.979       209.8537 1605.869       169.7165 283.2892 15.55421 256.8112 13.87450 26.47800       20.84311 
1 1 1 -7  -15 17 o 245.9032 12.10818 1468.335       141.9103 1554.204       209.6127 1395.673       192.8202 250.8791 17.58752 237.9043 17.06620 12.97485       24.50665 
1 1 1 -7  -15 18 o 139.0314 14.77154 477.2091       96.68443 928.9863       190.7805 321.0811       112.1534 191.8284 21.15318 111.5381 21.81384 80.29030       30.38586 
1 1 1 -7  -15 19 o 103.8584 26.85574 288.2886       134.3291 369.2452       311.3767 269.7766       148.8973 116.5800 42.72677 100.2206 29.26061 16.35944       51.78571 
1 1 1 -7  -15 20 o 119.4965 17.44971 359.9880       96.75006 488.5361       206.3030 323.7449       109.5432 132.5298 32.75114 111.8602 21.26033 20.66962       39.04663 
1 1 1 -7  -15 21 o 50.39880 20.87683 23.91609       82.25032 232.5953       216.8519 -11.14979      88.89267 95.70205 35.55319 47.17864 20.66146 48.52341       41.12086 
1 1 1 -7  -15 22 o 110.7370 19.52700 318.4017       99.60328 477.2390       237.9455 284.6568       109.6745 125.6508 37.07258 103.1858 22.83656 22.46502       43.54176 
1 1 1 -7  -15 23 o 53.98677 21.21350 51.14629       80.09789 543.3417       521.0016 39.23141       81.06158 123.6485 51.97722 52.12034 21.05284 71.52814       56.07899 
1 1 1 -7  -15 24 o 44.54859 19.45844 -4.891217      78.38879 849.1130       640.7823 -17.86586      78.98203 133.8150 57.00767 43.02113 19.12850 90.79391       60.13130 
1 1 1 -7  -15 25 o 46.60714 22.13103 -124.0145      133.4211 290.4872       697.1678 -139.7727      135.9336 105.4561 50.22107 46.12854 22.02540 59.32756       54.83862 
1 1 1 -7  -14 1  o 211.4518 9.046078 1074.312       91.23790 1155.591       151.6950 1028.244       114.2036 218.4464 14.60904 206.5129 11.61389 11.93347       18.66297 
1 1 1 -7  -14 2  o 472.8738 9.668858 5366.261       218.5892 5186.286       537.1598 5401.979       239.2989 459.4035 24.54598 474.2673 10.55381 -14.86383      26.71868 
1 1 1 -7  -14 3  o 273.0424 11.70346 1796.036       152.4207 1851.124       216.5279 1741.926       214.5959 276.1690 16.47438 267.7773 16.84792 8.391724       23.56390 
1 1 1 -7  -14 4  o 214.2076 10.66838 1105.268       108.9113 1007.282       155.4904 1199.642       152.5981 203.4515 16.11739 222.5067 14.42261 -19.05519      21.62827 
1 1 1 -7  -14 5  o 491.1275 10.01032 5793.806       235.0448 6174.304       596.3365 5723.822       255.7483 500.1498 25.01866 487.9178 10.96372 12.23199       27.31549 
1 1 1 -7  -14 6  o 230.2198 10.95725 1277.531       120.2553 1254.987       172.0122 1299.082       168.1856 227.1280 15.94217 231.2593 15.29780 -4.131348      22.09469 
1 1 1 -7  -14 7  o 260.9456 9.343225 1637.383       116.3733 1858.214       212.5688 1542.869       139.0644 276.4344 16.15459 252.8979 11.53206 23.53650       19.84841 
1 1 1 -7  -14 8  o 365.0233 8.164022 3196.931       142.4732 3232.559       218.7314 3170.675       187.7691 365.9270 12.52128 362.8507 10.83614 3.076233       16.55912 
1 1 1 -7  -14 9  o 461.0005 16.85812 5169.591       370.9257 5285.467       527.7059 5056.430       521.4855 462.1046 23.96791 451.7858 24.23222 10.31879       34.08315 
1 1 1 -7  -14 10 o 74.50671 14.83994 139.0253       51.00322 -8.599621      97.00318 195.4303       59.96041 50.50450 21.85623 88.73508 14.64426 -38.23058      26.30873 
1 1 1 -7  -14 11 o 238.9853 10.06902 1376.143       114.7869 1401.407       187.9551 1361.115       144.9603 239.5955 16.50936 237.0904 12.83658 2.505066       20.91260 
1 1 1 -7  -14 12 o 253.8310 10.24474 1552.980       124.0683 1528.140       212.4020 1565.845       152.8561 249.6854 17.91234 254.3444 12.60981 -4.658951      21.90569 
1 1 1 -7  -14 13 o 445.8496 10.42560 4786.384       222.2275 5391.144       515.3942 4648.272       246.2993 466.0488 23.20427 438.7886 11.75143 27.26019       26.01027 
1 1 1 -7  -14 14 o 199.2146 11.02287 959.7453       104.5750 997.8160       158.6225 930.4776       139.0797 201.6957 16.59648 195.1809 15.01996 6.514755       22.38397 
1 1 1 -7  -14 15 o 391.5421 10.38629 3696.901       194.2511 3865.330       406.5118 3647.062       221.1313 394.7147 21.62439 388.3541 11.92418 6.360565       24.69414 
1 1 1 -7  -14 16 o 286.3550 12.79240 1988.844       174.6898 1924.511       252.2202 2048.159       242.1828 279.2592 19.00463 288.7514 17.62727 -9.492218      25.92097 
1 1 1 -7  -14 17 o 265.9203 11.81118 1712.195       149.7850 1760.051       209.7577 1662.401       213.9608 268.0320 16.44824 260.1266 17.30282 7.905334       23.87325 
1 1 1 -7  -14 18 o 56.20288 21.58136 55.48011       81.43565 12.25527       109.7928 108.3427       121.4175 55.92251 23.70184 71.95843 26.62736 -16.03592      35.64819 
1 1 1 -7  -14 19 o 370.5637 10.87903 3323.021       192.5268 3730.377       385.0740 3187.254       222.3068 386.4036 20.92270 362.0293 12.86446 24.37424       24.56122 
1 1 1 -7  -14 20 o 174.8075 15.04362 752.9928       124.5030 796.6848       350.3095 746.6759       133.1995 163.5442 43.89116 173.6452 16.23281 -10.10101      46.79677 
1 1 1 -7  -14 21 o 275.5767 11.96794 1848.284       157.3018 2007.974       309.7883 1792.807       182.5924 280.4830 23.31258 270.4356 14.17192 10.04733       27.28222 
1 1 1 -7  -14 22 o 144.0133 15.61305 516.2421       105.7800 350.1870       242.9412 555.0884       117.5033 111.5963 38.02335 148.9408 16.79413 -37.34459      41.56703 
1 1 1 -7  -14 23 f 81.16272 27.74656 170.1482       129.3854 -43.44996      385.7054 197.2315       137.3434 88.36836 40.47783 86.11238 28.58467 2.255981       49.55339 
1 1 1 -7  -14 24 o 46.79031 19.92288 9.605857       78.18833 -407.9339      387.1442 27.36091       79.83343 72.60680 35.28212 49.93339 20.61487 22.67340       40.86320 
1 1 1 -7  -14 25 o 65.43497 27.04656 64.17573       137.6387 596.3503       687.4139 41.94935       140.4836 123.4016 55.53148 63.27757 26.81455 60.12404       61.66656 
1 1 1 -7  -14 26 o 119.9188 19.89759 382.2255       110.0800 304.7702       597.0861 384.9508       111.9999 105.2084 48.95312 120.1688 20.21137 -14.96046      52.96138 
1 1 1 -7  -13 1  o 330.9357 9.107582 2626.970       143.9600 2565.802       290.5651 2646.870       165.7309 325.2516 18.76564 332.0077 10.45414 -6.756134      21.48112 
1 1 1 -7  -13 2  o 58.51166 14.19752 85.67832       39.30687 63.05127       50.37208 120.9085       62.85405 52.35499 17.30863 69.51364 18.56316 -17.15865      25.38070 
1 1 1 -7  -13 3  o 291.2495 12.00512 2041.465       166.8047 2215.841       236.8661 1869.914       234.9405 302.5842 16.43546 277.5849 17.79703 24.99930       24.22517 
1 1 1 -7  -13 4  f 145.9494 9.756379 513.2513       67.68587 475.4784       97.75513 548.0377       93.81119 139.6938 14.86509 150.3636 13.18303 -10.66980      19.86865 
1 1 1 -7  -13 5  o 503.1115 9.939341 6074.226       239.0728 6151.717       611.7993 6060.260       259.7239 500.2476 25.66670 502.3542 10.81418 -2.106659      27.85185 
1 1 1 -7  -13 6  o 523.6646 18.67374 6658.414       466.7637 6744.222       661.0288 6573.084       659.1821 522.9411 26.52651 516.0790 26.80849 6.862122       37.71407 
1 1 1 -7  -13 7  o 100.0113 11.06620 243.2879       52.02810 311.7655       85.54794 203.0921       65.54281 112.3941 16.40386 90.41302 15.73421 21.98109       22.72998 
1 1 1 -7  -13 8  o 71.51605 14.18089 127.6816       46.77266 3.106924       82.86334 185.9313       56.66230 48.35930 20.54743 86.68999 14.15988 -38.33069      24.95394 
1 1 1 -7  -13 9  o 31.66490 14.69301 -45.95330      53.21943 1.717353       75.26952 -93.60904      75.25775 45.93534 19.55277 34.85019 16.56925 11.08515       25.62910 
1 1 1 -7  -13 10 o 97.54576 14.60742 234.9881       66.02916 351.9086       146.0898 204.9714       74.02126 116.8887 26.72545 90.32198 17.77499 26.56668       32.09673 
1 1 1 -7  -13 11 o 202.7604 11.29682 992.8746       109.0756 963.0065       162.8940 1017.152       146.8611 198.3047 17.35638 204.4151 15.13481 -6.110336      23.02839 
1 1 1 -7  -13 12 o 100.9671 13.31695 250.3337       62.71673 330.6194       104.5614 205.2182       78.38177 114.7769 19.76825 90.12253 18.80085 24.65442       27.28105 
1 1 1 -7  -13 13 o 263.5594 11.13407 1675.994       139.9785 1771.256       192.4499 1568.984       203.9709 269.9655 14.96941 253.4459 16.93060 16.51961       22.59930 
1 1 1 -7  -13 14 o 327.0505 13.28727 2590.023       207.3260 2765.489       296.9847 2423.219       289.5625 335.9478 18.56289 314.0610 19.37941 21.88684       26.83546 
1 1 1 -7  -13 15 o 366.4779 10.52555 3237.327       184.2260 3548.856       226.3001 2625.196       317.2182 383.1207 12.37116 326.1974 20.44365 56.92331       23.89536 
1 1 1 -7  -13 16 o 50.28990 17.86835 53.96556       53.94282 183.5349       88.69624 -22.09048      67.95492 84.59517 21.79585 40.04929 17.77871 44.54588       28.12724 
1 1 1 -7  -13 17 o 243.0275 11.69115 1429.856       135.4394 1556.038       197.7491 1318.363       185.8818 252.0071 16.50402 231.7430 16.89332 20.26404       23.61709 
1 1 1 -7  -13 18 o 54.25788 21.16280 47.07973       79.22472 -0.5540809E-03 105.6705 107.5134       119.7219 53.50583 22.98022 71.73576 26.45938 -18.22994      35.04553 
1 1 1 -7  -13 19 o 392.2560 15.12733 3752.019       283.1557 4011.401       407.5453 3509.963       393.6989 401.7714 21.29325 375.2433 22.04244 26.52808       30.64755 
1 1 1 -7  -13 20 o 204.9589 13.80169 1025.933       134.4522 750.9786       232.8647 1163.435       164.6744 168.5239 30.00233 217.5702 15.94203 -49.04633      33.97482 
1 1 1 -7  -13 21 f 125.3185 22.77861 405.7970       131.4487 120.5395       370.8848 446.7766       140.5738 100.5172 43.10968 131.4615 23.21507 -30.94427      48.96309 
1 1 1 -7  -13 22 o 53.02779 20.99761 42.74522       79.01906 164.8926       359.7760 36.55430       80.99681 101.7000 42.99533 52.40424 21.08788 49.29575       47.88839 
1 1 1 -7  -13 23 o 111.4360 19.35353 318.0012       99.36955 802.0566       381.5219 282.7745       102.9218 159.4605 46.91573 104.2376 21.37079 55.22283       51.55381 
1 1 1 -7  -13 24 o 248.1118 15.13839 1525.417       178.7160 2340.009       433.2410 1358.379       196.1857 291.5392 31.58710 232.5286 17.78238 59.01060       36.24856 
1 1 1 -7  -13 25 o 55.57689 22.09211 51.27296       87.79154 299.5863       405.5453 39.06421       89.92386 107.3237 45.52285 54.03677 22.04564 53.28692       50.58004 
1 1 1 -7  -13 26 o 144.8395 21.12661 552.2874       141.9875 567.7160       281.8170 547.0386       164.3748 131.2713 40.69830 141.5047 25.22223 -10.23347      47.88018 
1 1 1 -7  -13 27 o 142.8590 18.40136 531.8065       122.7640 483.8810       472.6553 535.2734       127.1269 112.7700 48.51977 142.8985 19.08481 -30.12849      52.13826 
1 1 1 -7  -13 28 o 53.58182 22.22644 39.55188       93.41032 449.5515       480.7518 23.46600       95.22512 106.1562 47.19703 51.68179 21.99543 54.47437       52.07070 
1 1 1 -7  -12 1  o 358.7342 7.479835 3080.751       128.2842 2891.918       183.1931 3262.451       179.6998 347.0930 11.05373 368.7909 10.20179 -21.69785      15.04199 
1 1 1 -7  -12 2  o 255.6086 8.741018 1566.831       106.6612 1414.451       189.7305 1637.242       128.9705 241.8185 16.51020 261.1299 10.35110 -19.31148      19.48671 
1 1 1 -7  -12 3  o 254.8473 8.898597 1557.845       108.2538 1504.808       193.0153 1582.185       130.7549 249.4601 16.27269 256.6411 10.68006 -7.181046      19.46443 
1 1 1 -7  -12 4  o 470.4614 7.625186 5299.976       171.5074 5182.407       245.4943 5412.066       239.7054 464.7749 11.04817 475.0363 10.55462 -10.26141      15.27947 
1 1 1 -7  -12 5  o 183.9014 9.434114 812.8424       82.66862 864.4097       114.0251 755.7026       120.0280 189.2603 12.67486 176.6565 14.33471 12.60384       19.13468 
1 1 1 -7  -12 6  f 351.7937 9.667651 2970.087       162.4447 3077.111       191.5325 2695.801       306.6229 357.8396 11.20938 333.1499 19.33421 24.68967       22.34865 
1 1 1 -7  -12 7  o 356.1821 8.032798 3039.856       136.7878 3158.967       208.3172 2949.572       181.3654 362.3615 12.04143 350.3467 10.84104 12.01477       16.20260 
1 1 1 -7  -12 8  o 431.1099 10.37968 4461.768       213.9344 4548.839       244.1582 4173.938       443.9154 434.8791 11.75420 413.1341 22.56068 21.74493       25.43905 
1 1 1 -7  -12 9  o 61.99283 21.13160 86.71126       75.03653 181.2056       136.8675 46.10375       89.72231 86.96787 28.52053 56.89565 22.42275 30.07223       36.27948 
1 1 1 -7  -12 10 o 216.1095 10.22793 1124.360       105.3746 1167.414       170.9800 1097.992       133.8067 219.0130 16.44949 213.0520 13.20148 5.960968       21.09182 
1 1 1 -7  -12 11 o 342.6795 13.40883 2836.931       219.2545 3121.255       314.6754 2568.654       305.6662 357.8123 18.45735 324.0129 19.82719 33.79941       27.08858 
1 1 1 -7  -12 12 o 214.3117 11.07142 1108.156       113.0532 1299.459       167.8647 949.3610       152.9386 231.1999 15.27223 197.1991 16.36942 34.00082       22.38748 
1 1 1 -7  -12 13 o 190.3659 11.40767 875.7875       103.3469 829.0255       154.3005 913.8317       139.1761 183.7600 17.78545 193.6840 15.15060 -9.924011      23.36371 
1 1 1 -7  -12 14 o 157.1244 11.31626 597.6465       84.43760 548.4877       126.2522 637.4299       113.5767 149.0084 18.09256 161.5837 14.86884 -12.57533      23.41843 
1 1 1 -7  -12 15 o 306.6595 10.65696 2266.653       156.0046 2515.415       202.1110 1899.983       245.3779 322.3885 13.14054 278.3636 18.54377 44.02484       22.72763 
1 1 1 -7  -12 16 o 383.0931 14.81903 3564.094       270.9023 3722.323       386.5336 3411.342       379.7829 388.5478 20.88495 371.5974 21.46878 16.95044       29.95145 
1 1 1 -7  -12 17 o 588.2516 8.617009 8315.456       242.3416 8518.605       358.5978 8144.680       328.7852 593.6078 12.63571 580.8301 11.84008 12.77771       17.31614 
1 1 1 -7  -12 18 f 121.6041 15.78540 365.8074       89.60876 276.5429       122.8883 467.1636       130.9471 103.1503 25.14961 136.1898 20.76752 -33.03949      32.61584 
1 1 1 -7  -12 19 o 338.2751 13.42052 2778.614       216.6132 3281.286       314.5415 2325.168       298.7434 365.3864 18.06199 306.1875 20.52668 59.19891       27.34191 
1 1 1 -7  -12 20 o 209.3152 13.30641 1066.422       132.4695 1372.574       230.7553 915.9343       161.7835 234.7344 20.77638 192.5430 17.77568 42.19136       27.34287 
1 1 1 -7  -12 21 o 344.0215 12.67011 2872.943       208.0328 3082.147       280.8339 2618.551       309.6827 354.4160 16.62032 324.7039 20.04674 29.71207       26.04048 
1 1 1 -7  -12 22 o 74.03195 27.60751 116.6326       130.9944 480.2682       357.5871 60.27021       140.7807 129.4758 46.00520 67.68922 27.59586 61.78657       53.64708 
1 1 1 -7  -12 23 o 135.5335 17.16402 460.0351       108.7275 1110.514       383.8299 403.2858       113.3712 194.2491 42.51362 125.9596 19.45207 68.28947       46.75245 
1 1 1 -7  -12 24 o 238.9082 14.80210 1405.484       168.2382 1869.625       422.5934 1318.068       183.3982 259.8766 34.89417 230.3817 16.76568 29.49487       38.71293 
1 1 1 -7  -12 25 o 134.5059 17.41174 457.5213       109.3429 396.4228       267.2931 469.8005       119.8277 115.8335 39.87132 135.6439 18.99793 -19.81042      44.16609 
1 1 1 -7  -12 26 o 62.66117 22.87170 89.62875       89.08647 220.9249       263.9402 72.74796       94.64030 94.75181 38.08874 60.40940 23.24761 34.34240       44.62291 
1 1 1 -7  -12 27 o 126.1641 27.06681 445.7678       158.3684 879.1047       462.0248 388.0762       168.5811 147.6418 52.31004 115.5250 30.19238 32.11680       60.39801 
1 1 1 -7  -12 28 o 197.3065 16.34547 992.9720       152.8045 1663.994       409.0897 884.1716       164.7273 226.5964 39.17924 184.1342 18.98388 42.46216       43.53620 
1 1 1 -7  -12 29 o 58.96438 23.27276 71.37219       96.78291 100.0279       299.3774 68.02785       102.2747 81.59721 36.68926 59.22865 23.74397 22.36857       43.70215 
1 1 1 -7  -11 1  o 686.3600 8.009456 11277.94       262.8230 10491.94       372.4255 12057.74       370.9546 661.4384 11.77719 709.2352 10.94012 -47.79681      16.07447 
1 1 1 -7  -11 2  o 277.2243 8.499594 1841.996       112.5187 1439.822       205.1001 2015.151       134.5784 243.8915 17.71046 289.8589 9.725141 -45.96732      20.20492 
1 1 1 -7  -11 3  o 281.0987 7.659909 1892.929       102.8456 1548.877       147.3762 2219.526       143.5891 253.8026 12.18127 304.1932 9.886462 -50.39058      15.68839 
1 1 1 -7  -11 4  o 387.8773 7.539689 3601.505       139.8158 3493.212       200.3293 3704.352       195.2281 381.5398 10.99384 392.9886 10.40006 -11.44885      15.13360 
1 1 1 -7  -11 5  o 200.5214 8.961551 965.0903       85.69463 857.0823       138.6022 1031.928       109.0318 188.1323 15.54857 207.1504 11.04926 -19.01811      19.07470 
1 1 1 -7  -11 6  o 168.2646 9.635918 680.7481       77.19238 597.0746       122.3843 736.0280       99.47521 156.5912 16.59998 174.7203 11.98119 -18.12906      20.47213 
1 1 1 -7  -11 7  o 270.2485 11.92347 1756.658       153.6752 1757.656       220.5365 1755.716       214.2587 269.4312 17.21080 269.3781 16.71913 0.5307007E-01  23.99460 
1 1 1 -7  -11 8  o 340.7266 9.609406 2785.831       156.3785 2574.821       309.3276 2858.274       181.2451 325.4711 19.97538 344.9276 11.00490 -19.45651      22.80622 
1 1 1 -7  -11 9  o 172.0044 10.89214 713.0622       89.10967 706.1746       134.2103 718.4923       119.1669 170.2284 16.70587 172.1004 14.62151 -1.872055      22.20078 
1 1 1 -7  -11 10 o 345.8582 9.767900 2872.440       161.3513 2671.692       320.5490 2940.565       186.7325 331.0203 20.35338 349.6932 11.18364 -18.67291      23.22356 
1 1 1 -7  -11 11 o 41.73333 16.35501 24.95933       47.50179 -86.71870      85.97329 74.03297       56.99068 38.99621 18.28525 56.28104 18.40076 -17.28482      25.94106 
1 1 1 -7  -11 12 o 529.2849 19.15056 6822.387       483.7966 6536.844       685.4849 7105.786       682.9059 512.6847 28.07371 535.5298 26.75757 -22.84515      38.78273 
1 1 1 -7  -11 13 o 203.5746 10.97589 999.7474       106.4297 1097.920       157.0135 916.2989       144.7607 212.4199 15.56899 193.9161 15.74998 18.50377       22.14623 
1 1 1 -7  -11 14 o 249.4673 11.84252 1502.698       140.8395 1470.691       202.7232 1532.560       195.8109 245.3752 17.39356 250.7945 16.42124 -5.419342      23.92056 
1 1 1 -7  -11 15 o 350.7348 11.02070 2964.483       184.5683 2943.327       222.3309 3011.386       331.0417 348.8224 13.35643 350.3699 19.84388 -1.547455      23.92015 
1 1 1 -7  -11 16 o 329.0579 13.42200 2621.259       210.7102 2805.258       301.9547 2446.618       294.1759 338.4448 18.73455 315.6486 19.59028 22.79626       27.10651 
1 1 1 -7  -11 17 o 354.0996 9.257114 3016.152       156.5802 3199.938       240.3898 2880.716       206.3607 363.3373 13.86421 345.1540 12.52641 18.18332       18.68495 
1 1 1 -7  -11 18 o 408.5530 15.61550 4063.842       304.4474 4211.241       435.4926 3922.944       425.7790 412.1382 22.18365 397.5429 22.49404 14.59528       31.59266 
1 1 1 -7  -11 19 o 268.1211 12.62064 1742.901       161.3245 1843.127       238.3858 1658.218       219.1240 273.6489 18.32692 259.7331 17.75306 13.91577       25.51562 
1 1 1 -7  -11 20 o 254.2525 11.75771 1565.576       142.5341 1871.684       239.9065 1398.578       177.1989 275.5907 18.31217 239.0939 15.58684 36.49681       24.04756 
1 1 1 -7  -11 21 o 57.56218 20.43906 72.12482       70.57056 -85.39370      131.6077 135.6945       83.60661 51.18220 23.51838 73.39398 22.05420 -22.21178      32.24131 
1 1 1 -7  -11 22 o 286.6226 11.73414 1990.809       160.4541 2021.887       272.4817 1974.311       198.5244 285.1619 20.11561 284.3571 14.65239 0.8048706      24.88635 
1 1 1 -7  -11 23 o 72.45007 21.45763 133.9199       79.58966 4.209880       147.7750 186.9196       94.46059 62.60168 27.03359 84.70909 22.81706 -22.10741      35.37560 
1 1 1 -7  -11 24 o 77.48421 27.63937 141.6291       129.1888 417.4680       246.2016 36.82247       151.7601 121.1314 38.11365 66.54269 28.01702 54.58874       47.30331 
1 1 1 -7  -11 25 o 55.28370 22.24326 42.54636       90.10088 -20.93864      424.8782 45.53576       92.19781 95.32492 43.20444 56.20214 22.53938 39.12278       48.73036 
1 1 1 -7  -11 26 o 122.0866 20.25134 385.4918       114.0635 347.0315       444.4485 388.2036       118.0163 115.2217 48.19230 122.2138 20.95191 -6.992149      52.54979 
1 1 1 -7  -11 27 o 70.85770 24.39761 126.8872       100.0857 491.1659       381.1768 99.91299       103.7252 120.8844 46.62012 66.28394 24.59559 54.60046       52.71033 
1 1 1 -7  -11 28 o 150.6067 22.32056 604.2330       155.8582 349.2432       297.0513 701.0958       183.0832 105.9765 41.07848 160.7239 24.60855 -54.74740      47.88551 
1 1 1 -7  -11 29 o 41.00062 19.16206 -71.34382      93.12681 93.81751       297.7039 -89.25863      98.04748 82.94700 36.99276 40.78720 19.24940 42.15980       41.70136 
1 1 1 -7  -11 30 o 81.10613 25.37700 190.0986       109.2993 254.1934       315.0127 181.3263       116.5391 91.93909 39.58443 79.29158 26.33118 12.64751       47.54217 
1 1 1 -7  -10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -10 3  o 135.7797 9.781622 443.9209       63.07156 354.0399       89.71362 531.7598       88.68855 120.3203 15.99151 148.3545 12.62407 -28.03416      20.37389 
1 1 1 -7  -10 4  o 812.7217 27.71434 16082.68       1075.273 15834.07       1520.963 16331.10       1520.370 798.6064 39.96315 811.5631 39.30173 -12.95673      56.05069 
1 1 1 -7  -10 5  o 384.0897 10.00884 3537.163       183.6347 3410.634       206.6058 4013.141       400.7193 376.9725 11.47706 407.1965 20.65134 -30.22397      23.62627 
1 1 1 -7  -10 6  o 433.4262 15.95903 4524.488       330.1321 4584.078       468.1161 4465.526       465.6484 434.6509 22.60474 428.9268 22.78914 5.724121       32.09859 
1 1 1 -7  -10 7  o 149.0018 10.65229 534.9437       75.38215 480.8373       112.3597 579.2317       101.6552 140.2915 17.10540 154.6697 13.89519 -14.37823      22.03795 
1 1 1 -7  -10 8  o 198.6299 10.31984 948.3909       97.66390 755.8425       156.7048 1070.681       124.8843 175.9771 18.92291 210.8290 12.44531 -34.85188      22.64867 
1 1 1 -7  -10 9  o 288.7927 10.96011 2003.712       151.0500 1923.570       191.4556 2135.840       245.8295 282.4609 14.22333 297.0708 17.38473 -14.60986      22.46178 
1 1 1 -7  -10 10 o 342.5765 8.586177 2814.105       140.5152 2977.393       214.7063 2691.770       185.8415 351.7267 12.78954 334.6066 11.63486 17.12012       17.28995 
1 1 1 -7  -10 11 o 343.7497 13.53301 2848.205       221.9707 3029.571       318.0757 2676.030       309.9114 353.1730 18.90690 331.6579 19.63298 21.51511       27.25665 
1 1 1 -7  -10 12 o 133.6980 11.02707 432.3018       69.85839 522.6422       104.3861 359.0207       94.01512 146.4200 15.12960 120.7524 16.73446 25.66764       22.55985 
1 1 1 -7  -10 13 o 167.3410 10.89419 675.8293       86.68389 735.2148       127.5418 624.8481       118.1727 173.7526 15.51681 160.0473 15.64354 13.70537       22.03388 
1 1 1 -7  -10 14 o 187.0997 10.97091 844.7540       97.70444 930.1911       143.0593 770.0643       133.7590 195.4993 15.43107 177.6607 15.91638 17.83852       22.16865 
1 1 1 -7  -10 15 o 47.26136 17.45987 42.91801       52.16673 -38.13935      83.50957 94.79053       66.80495 43.11563 19.38272 62.70197 19.86984 -19.58633      27.75789 
1 1 1 -7  -10 16 o 230.6646 11.72948 1285.375       128.9258 1312.942       188.6877 1261.234       176.5721 231.7639 17.15053 227.3587 16.35359 4.405197       23.69769 
1 1 1 -7  -10 17 o 217.3462 11.35685 1141.198       117.6004 1280.470       181.8242 1041.037       154.1945 228.9057 16.73000 206.5513 15.73304 22.35442       22.96566 
1 1 1 -7  -10 18 o 269.8623 12.34110 1761.870       158.8011 1958.465       232.9401 1591.170       217.0575 282.9590 17.30189 254.7238 17.93837 28.23528       24.92269 
1 1 1 -7  -10 19 o 167.5128 14.00533 684.5181       111.1374 460.1330       208.5421 773.5242       131.3429 131.3142 33.20355 177.7243 15.61657 -46.41011      36.69268 
1 1 1 -7  -10 20 o 327.9761 11.08020 2598.306       173.4899 2628.115       317.0001 2585.560       207.2895 325.8383 20.45243 326.4218 13.31072 -0.5834656     24.40241 
1 1 1 -7  -10 21 o 127.9930 14.36553 402.8690       86.39007 610.4225       144.3721 287.0980       107.8247 156.2243 19.77187 105.7262 22.04680 50.49813       29.61398 
1 1 1 -7  -10 22 o 547.8075 11.53437 7252.593       302.0858 8523.037       765.4654 7018.229       328.7706 578.3986 27.76258 538.2182 12.77692 40.18042       30.56159 
1 1 1 -7  -10 23 o 131.3623 17.57077 430.7043       107.5845 786.7452       266.4591 361.3581       117.5959 170.5774 33.86877 118.9020 21.47707 51.67539       40.10434 
1 1 1 -7  -10 24 o 128.9860 18.27606 418.8755       109.5501 549.2368       278.6763 395.0481       119.1420 137.9217 39.96203 124.3069 20.78053 13.61478       45.04214 
1 1 1 -7  -10 25 o 238.4841 15.79444 1404.549       179.0681 1873.603       443.3355 1313.107       195.7460 258.8838 36.85955 229.4713 17.98616 29.41252       41.01376 
1 1 1 -7  -10 26 o 118.5392 17.72672 355.8695       97.38093 538.1669       174.2688 273.1018       117.4248 142.0293 26.64296 101.2383 24.52300 40.79097       36.21084 
1 1 1 -7  -10 27 o 170.8180 14.62412 724.7057       118.2817 879.9821       198.6582 639.4283       147.2214 183.4938 23.16016 157.8612 19.95171 25.63260       30.56900 
1 1 1 -7  -10 28 o 121.0156 18.27084 378.0880       102.4183 553.3321       184.3098 299.8011       123.1889 140.3751 28.43884 104.3273 25.02100 36.04785       37.87899 
1 1 1 -7  -10 29 o 152.9534 19.40599 609.6342       138.7170 608.2338       200.9293 610.9094       191.7439 145.0103 29.97368 146.6640 28.37176 -1.653671      41.27200 
1 1 1 -7  -10 30 o 150.4325 24.52743 631.1154       170.3291 549.7983       334.2687 659.6340       197.9566 118.8408 44.14277 150.1258 28.62523 -31.28499      52.61168 
1 1 1 -7  -9  1  o 115.1438 7.815510 318.7884       42.76857 381.3949       59.29570 250.8997       61.74652 125.7932 9.940299 101.4467 13.03175 24.34649       16.39012 
1 1 1 -7  -9  2  o 237.2077 8.359955 1348.684       94.65891 1381.828       114.9812 1278.977       166.7495 239.9662 10.04454 230.2516 15.23358 9.714600       18.24705 
1 1 1 -7  -9  3  o 429.5378 9.727887 4419.295       199.7691 4355.677       220.6868 4707.965       470.0968 426.1949 10.83958 440.9031 22.37473 -14.70819      24.86212 
1 1 1 -7  -9  4  o 389.4466 9.112285 3632.050       169.6616 3294.005       371.8633 3720.916       190.6625 368.8423 21.17695 393.9697 10.13105 -25.12732      23.47555 
1 1 1 -7  -9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -9  6  o 228.5368 11.23095 1255.052       122.3344 1105.872       175.4872 1396.087       170.6291 213.6774 17.32677 240.6102 14.90625 -26.93279      22.85637 
1 1 1 -7  -9  7  o 500.9895 8.039272 6008.863       192.5545 5594.164       279.8406 6381.761       265.3623 482.7759 12.13392 515.9927 10.75691 -33.21674      16.21552 
1 1 1 -7  -9  8  o 206.2019 10.17110 1021.435       99.96012 679.1395       157.5654 1251.988       129.3143 166.5421 20.20177 228.1528 11.89639 -61.61067      23.44431 
1 1 1 -7  -9  9  o 305.7758 13.29518 2249.504       193.8950 1827.327       277.2772 2653.498       271.2403 274.0656 21.32957 331.4680 17.17464 -57.40247      27.38465 
1 1 1 -7  -9  10 f 391.6472 9.740756 3676.537       182.3879 3233.824       383.8482 3805.637       207.2822 364.6343 22.12288 398.1817 10.89886 -33.54733      24.66186 
1 1 1 -7  -9  11 o 313.8641 10.63331 2366.048       159.3276 2286.427       193.3849 2534.305       281.1242 308.1421 13.15722 323.3844 18.25737 -15.24231      22.50431 
1 1 1 -7  -9  12 o 237.3386 10.55547 1354.565       119.4721 1451.582       163.5097 1243.443       174.9925 245.1674 14.00824 226.4290 16.27366 18.73840       21.47237 
1 1 1 -7  -9  13 o 314.1791 13.12808 2379.968       196.7564 2304.042       280.5296 2453.480       276.0361 307.6263 19.16948 317.7482 18.24755 -10.12183      26.46587 
1 1 1 -7  -9  14 o 386.9575 14.86674 3620.048       274.5230 3714.857       390.7892 3527.679       385.7286 389.8203 21.04665 379.7298 21.33283 10.09052       29.96751 
1 1 1 -7  -9  15 o 143.4148 13.00273 499.7979       88.18531 494.8248       156.0877 502.1296       106.8771 140.0010 24.19487 143.1852 15.87936 -3.184219      28.94039 
1 1 1 -7  -9  16 o 227.3654 11.83388 1248.648       128.1925 1162.124       187.0517 1325.279       176.0329 217.7964 18.12819 233.3121 15.87607 -15.51569      24.09732 
1 1 1 -7  -9  17 o 420.3087 11.43997 4258.838       229.6665 4381.620       272.0674 3954.413       428.4005 425.6696 13.38553 400.1888 22.48156 25.48083       26.16473 
1 1 1 -7  -9  18 o 295.0501 11.01543 2099.536       155.1109 2236.197       269.5392 2031.871       189.6627 302.0248 18.75945 289.5382 13.74069 12.48660       23.25346 
1 1 1 -7  -9  19 f 29.02383 14.02306 -93.03481      58.94417 -475.2737      111.1650 56.46641       69.52214 ?        ?        54.13546 20.12698 0.000000       20.12698 
1 1 1 -7  -9  20 o 72.27658 23.16800 127.6849       90.61432 209.6645       120.4714 20.87927       137.5080 90.37434 26.30095 63.12585 26.62868 27.24849       37.42762 
1 1 1 -7  -9  21 o 287.5742 12.63889 2005.198       173.3425 2326.978       257.2216 1737.480       234.6209 307.8626 17.54868 265.4428 18.60572 42.41980       25.57595 
1 1 1 -7  -9  22 o 195.2161 13.85259 929.8777       128.4472 1036.591       192.8594 844.8070       172.1955 203.9931 20.03313 184.0376 19.88617 19.95555       28.22740 
1 1 1 -7  -9  23 o 330.8374 14.37585 2667.009       226.8394 2709.425       334.6261 2630.945       308.5562 329.7469 21.34073 325.7782 19.90591 3.968750       29.18342 
1 1 1 -7  -9  24 o 132.2686 16.47558 434.8081       101.9328 374.4869       178.4994 463.9979       124.1701 117.7931 31.20372 135.6329 19.72669 -17.83971      36.91631 
1 1 1 -7  -9  25 o 47.26289 21.72256 -71.37476      112.3679 0.8555961E-04  153.0722 -154.7858      165.4762 63.03320 27.36601 53.28190 25.10367 9.751301       37.13614 
1 1 1 -7  -9  26 o 109.1132 22.73571 311.9963       114.7493 375.0500       170.1297 259.3708       155.4255 116.7927 30.23503 97.98257 30.19789 18.81011       42.73253 
1 1 1 -7  -9  27 o 251.1680 14.71739 1556.131       175.9529 1754.026       257.9735 1383.989       240.6034 262.8450 20.69581 232.5051 21.90323 30.33984       30.13417 
1 1 1 -7  -9  28 o 133.3034 20.65685 462.4086       127.3917 496.5043       192.0987 435.6432       170.2005 132.0656 30.96542 124.6464 29.09347 7.419205       42.48867 
1 1 1 -7  -9  29 o 108.2823 25.73532 326.6339       131.2556 337.9022       208.9183 319.2857       168.7087 105.4445 35.26104 104.1970 31.33264 1.247490       47.17071 
1 1 1 -7  -9  30 o 109.7548 31.39145 363.3598       173.0145 300.3854       221.3104 462.3437       277.4610 98.84219 36.05349 116.2250 40.58938 -17.38280      54.28952 
1 1 1 -7  -9  31 o 146.5141 27.61648 627.7043       186.3510 357.1300       240.5939 1033.433       294.6179 101.9259 37.52389 178.5502 35.76142 -76.62428      51.83552 
1 1 1 -7  -8  1  o 347.9859 13.46474 2910.637       223.5876 2913.869       316.4299 2907.415       315.9718 347.2133 19.13619 346.8287 19.12980 0.3846130      27.05814 
1 1 1 -7  -8  2  o 364.6297 13.81540 3195.659       240.4017 3338.105       340.4088 3053.930       339.5517 371.7437 19.21877 355.3554 20.06796 16.38831       27.78640 
1 1 1 -7  -8  3  o 88.87146 8.912838 191.0062       37.35867 184.1565       53.47765 197.5354       52.21136 86.61420 13.34217 89.90749 12.48306 -3.293297      18.27130 
1 1 1 -7  -8  4  o 138.9459 9.081492 464.2577       59.99632 457.0876       85.90004 471.0869       83.83292 137.3992 13.24056 139.5757 12.70209 -2.176437      18.34818 
1 1 1 -7  -8  5  o 478.1555 10.41927 5477.897       238.1853 0.000000       0.000000 5477.897       238.1853 ?        ?        478.1555 10.41927 0.000000       10.41927 
1 1 1 -7  -8  6  o 272.3322 9.989522 1779.071       129.8421 1773.472       162.5290 1788.949       215.8702 271.6291 12.54935 272.2470 16.66507 -0.6178589     20.86170 
1 1 1 -7  -8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -8  8  o 246.1337 9.698973 1453.540       113.9080 1202.641       191.0689 1591.878       141.8770 222.7461 18.09782 257.4052 11.55834 -34.65915      21.47385 
1 1 1 -7  -8  9  o 293.2297 11.53631 2065.146       161.4117 1803.531       200.1838 2551.320       272.8931 273.4743 15.37291 325.0125 17.62839 -51.53821      23.38988 
1 1 1 -7  -8  10 o 588.9222 11.28090 8317.768       317.6215 8158.536       341.1975 9351.988       869.5569 583.0903 12.23944 617.9679 29.51761 -34.87762      31.95455 
1 1 1 -7  -8  11 o 54.82504 18.45114 67.83805       57.19661 177.8340       119.0733 34.84578       65.21268 85.47751 26.44677 49.04721 19.18007 36.43029       32.66966 
1 1 1 -7  -8  12 o 35.04860 15.87141 -32.39426      57.18790 -15.14963      69.73254 -67.81622      99.94128 41.88965 18.32360 45.07557 20.63118 -3.185925      27.59348 
1 1 1 -7  -8  13 o 140.2496 12.59222 476.6034       83.53525 712.4780       114.5428 208.6147       122.0915 171.4670 14.09704 91.27329 26.45236 80.19373       29.97422 
1 1 1 -7  -8  14 o 377.7902 8.675829 3422.120       156.7004 3953.737       234.7482 2994.849       210.4527 405.3133 12.12807 352.6286 12.50306 52.68469       17.41886 
1 1 1 -7  -8  15 o 339.3956 10.60674 2770.219       171.8948 3251.831       331.6777 2593.359       200.9939 365.3655 19.05389 327.9073 12.84590 37.45822       22.97973 
1 1 1 -7  -8  16 o 223.5045 11.81419 1205.918       125.7921 1237.507       185.7201 1179.142       170.9857 225.1573 17.38762 220.0135 16.37294 5.143738       23.88309 
1 1 1 -7  -8  17 o 278.7512 12.39539 1877.202       164.7774 2141.858       241.2037 1645.608       225.6354 296.4210 17.09276 259.3116 18.31812 37.10931       25.05426 
1 1 1 -7  -8  18 o 362.1775 9.530676 3155.008       164.8830 3448.331       256.0522 2947.212       215.5126 377.2455 14.22245 349.1313 12.93383 28.11423       19.22400 
1 1 1 -7  -8  19 o 357.5219 14.32267 3100.184       244.3177 3285.583       352.1952 2928.208       339.2058 365.4857 20.23499 344.7637 20.67441 20.72202       28.92898 
1 1 1 -7  -8  20 o 221.1111 12.59563 1185.106       132.5985 1239.585       202.8093 1144.431       175.2418 224.1774 19.10476 216.0098 17.10862 8.167633       25.64560 
1 1 1 -7  -8  21 o 305.8420 13.48877 2270.379       196.7470 2506.345       291.0812 2071.893       266.9650 318.9539 19.17735 289.8032 19.37965 29.15067       27.26429 
1 1 1 -7  -8  22 o 369.6082 9.921057 3293.862       175.1519 3501.694       256.3877 3111.986       239.8437 379.4250 14.15876 357.7063 14.05203 21.71872       19.94818 
1 1 1 -7  -8  23 f 260.5987 13.57090 1653.140       168.4963 2024.023       272.7838 1424.332       214.2573 285.4605 20.11659 239.8230 18.83798 45.63753       27.55987 
1 1 1 -7  -8  24 o 86.86336 23.78010 195.5560       101.6241 116.0207       247.0890 211.7489       111.4903 88.85991 36.43195 90.21322 24.99089 -1.353310      44.17954 
1 1 1 -7  -8  25 o 58.36702 25.94736 -34.93479      145.2671 -270.9280      257.1512 75.67349       176.0486 63.99283 30.48235 75.12295 30.77046 -11.13012      43.31276 
1 1 1 -7  -8  26 f 123.6067 27.44890 409.7268       157.9848 713.3176       283.0908 272.4086       190.3907 157.5026 38.02922 100.9052 33.65957 56.59734       50.78571 
1 1 1 -7  -8  27 o 79.58850 28.68129 151.5293       139.4987 377.2173       298.9134 88.68905       157.7284 115.3518 41.92670 73.06562 29.41865 42.28616       51.21821 
1 1 1 -7  -8  28 o 105.6090 28.72698 308.3067       148.8574 70.71492       328.7028 369.6044       166.9590 90.19120 39.60781 115.0382 30.03777 -24.84696      49.70962 
1 1 1 -7  -8  29 o 154.2618 23.27622 633.1437       166.3265 830.0543       352.9931 576.9497       188.5719 156.4497 44.86803 143.6568 28.46298 12.79289       53.13456 
1 1 1 -7  -8  30 o 76.59946 27.93526 150.9887       132.8570 139.4948       215.1702 158.0706       168.8982 81.69233 33.79634 80.11298 30.99631 1.579346       45.85808 
1 1 1 -7  -8  31 o 92.43820 28.94574 253.2943       142.1731 383.3598       233.9673 177.1510       179.0152 107.1419 37.28180 81.66388 31.82335 25.47799       49.01691 
1 1 1 -7  -8  32 o 134.1091 23.32434 506.3560       144.1194 439.4730       211.0077 564.8385       197.3120 113.0179 35.24451 133.7593 31.39651 -20.74145      47.20081 
1 1 1 -7  -7  1  o 348.4708 13.45968 2920.897       223.8165 2961.012       316.7128 2880.878       316.3362 349.7869 19.01030 344.9519 19.25792 4.834961       27.06029 
1 1 1 -7  -7  2  o 147.1256 8.688993 520.1833       60.84542 590.8014       86.94999 452.4202       85.17432 156.5166 11.70462 136.6546 13.20110 19.86192       17.64277 
1 1 1 -7  -7  3  o 361.5233 8.994952 3130.034       155.4689 3142.168       175.6223 3086.080       334.2526 361.9906 10.15790 357.2166 19.64765 4.774017       22.11816 
1 1 1 -7  -7  4  o 264.3514 8.646479 1674.940       109.1301 1693.666       130.5402 1631.480       198.8714 265.6795 10.29677 260.0394 16.07508 5.640106       19.09010 
1 1 1 -7  -7  5  o 80.42592 10.10754 157.3790       38.00797 186.9093       66.44998 143.0204       46.33601 86.74100 16.62862 76.12848 13.20979 10.61253       21.23698 
1 1 1 -7  -7  6  o 684.4722 10.60090 11225.86       346.9020 11288.73       367.6981 10716.75       1046.346 686.2906 11.20663 661.1320 33.21022 25.15863       35.05007 
1 1 1 -7  -7  7  o 453.7276 16.53015 4956.608       357.9760 4937.229       507.1539 4975.851       505.3600 451.1729 23.59393 452.9881 23.41435 -1.815247      33.24011 
1 1 1 -7  -7  8  o 286.9980 12.35978 1979.260       169.1916 1915.044       242.2217 2040.442       236.4295 281.4511 18.09711 290.7285 17.08537 -9.277344      24.88806 
1 1 1 -7  -7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -7  10 o 189.8158 11.31363 866.9782       102.2040 748.4630       148.1030 974.7321       141.2191 175.3787 17.91496 200.8630 14.80982 -25.48428      23.24385 
1 1 1 -7  -7  11 o 181.5715 11.53299 793.9374       99.59732 404.1403       146.5527 1128.478       135.7685 126.8781 25.04951 216.3940 13.18596 -89.51587      28.30809 
1 1 1 -7  -7  12 o 191.0446 12.22014 879.6583       111.0290 478.1357       159.8560 1253.888       154.3274 138.1723 25.12434 227.9447 14.23238 -89.77249      28.87547 
1 1 1 -7  -7  13 o 312.8105 13.00070 2355.698       194.0032 2480.149       277.6886 2237.036       271.1521 319.9070 18.23173 303.6454 18.77007 16.26154       26.16699 
1 1 1 -7  -7  14 o 71.45061 17.49308 128.2720       59.26761 172.3672       94.45794 99.63967       76.11517 82.87520 23.01990 65.15887 21.26277 17.71633       31.33722 
1 1 1 -7  -7  15 o 299.4250 10.77010 2156.204       153.9247 2438.511       273.0243 2024.666       186.3659 316.7509 18.10455 289.6313 13.49610 27.11957       22.58139 
1 1 1 -7  -7  16 o 291.6196 10.90285 2047.018       151.7399 2276.774       264.4083 1934.190       185.2890 305.7447 18.17068 282.8781 13.74179 22.86661       22.78180 
1 1 1 -7  -7  17 f 95.63037 16.21301 227.5247       71.48043 235.0733       113.3175 222.5361       92.12022 95.84401 24.60586 93.60720 21.09163 2.236809       32.40841 
1 1 1 -7  -7  18 o 348.9624 11.93773 2938.684       198.8697 3113.138       256.0544 2673.468       315.7124 358.2198 14.98422 329.9564 20.10916 28.26340       25.07799 
1 1 1 -7  -7  19 o 88.15132 22.81942 198.8621       96.91281 253.9330       129.8391 129.5848       145.6263 99.16428 26.76818 79.01202 29.17502 20.15226       39.59442 
1 1 1 -7  -7  20 o 554.0899 19.59627 7534.405       518.2958 8129.932       738.5706 6956.571       727.5165 568.8085 27.23839 524.2330 29.14222 44.57550       39.88984 
1 1 1 -7  -7  21 o 418.4309 16.11084 4268.616       321.6905 4434.856       462.7698 4113.170       447.4928 422.2782 23.00922 406.5590 23.11786 15.71924       32.61686 
1 1 1 -7  -7  22 o 64.59187 24.29625 80.74450       101.9117 93.29816       133.8117 63.40544       157.2613 71.64338 27.62418 71.51208 29.16188 0.1312943      40.16853 
1 1 1 -7  -7  23 o 63.42397 22.14718 91.01671       82.60516 43.83898       142.8977 114.6942       101.2336 66.53098 27.53453 70.49372 24.52382 -3.962738      36.87232 
1 1 1 -7  -7  24 o 47.02150 20.28429 -3.817823      83.02766 -178.2720      146.8283 78.18818       100.6681 48.09076 22.94262 63.75917 24.11129 -15.66842      33.28240 
1 1 1 -7  -7  25 o 156.7775 18.08150 612.5440       133.0474 825.9288       185.5456 386.7069       190.8827 180.7581 21.91787 119.3451 32.55799 61.41305       39.24813 
1 1 1 -7  -7  26 o 182.2296 17.20156 825.9406       148.0900 1019.208       220.2755 666.5436       200.0447 199.4059 23.56020 158.9082 27.31566 40.49767       36.07254 
1 1 1 -7  -7  27 o 67.48930 24.17362 104.1824       98.92613 -118.5058      193.9796 182.4574       115.0056 60.85368 28.17248 83.56022 26.01369 -22.70654      38.34580 
1 1 1 -7  -7  28 o 129.9738 17.19485 426.1730       104.2285 501.2722       212.9437 402.5126       119.5249 132.7113 33.54953 124.8104 20.75978 7.900925       39.45300 
1 1 1 -7  -7  29 o 110.6492 19.65761 318.3570       100.1792 476.4299       220.7083 277.3397       112.4278 126.6414 35.19215 101.4710 23.61924 25.17038       42.38344 
1 1 1 -7  -7  30 o 216.6197 14.22879 1171.012       146.5423 1159.218       243.0993 1177.744       183.6631 206.7445 25.10882 214.5212 18.07586 -7.776733      30.93848 
1 1 1 -7  -7  31 o 170.9005 15.34197 739.8119       124.0199 902.5883       224.7726 668.5675       148.7041 179.1217 27.09296 159.3898 19.95011 19.73192       33.64574 
1 1 1 -7  -7  32 o 66.19685 24.57252 110.7491       103.5487 35.05020       340.8841 118.4442       108.6843 80.32578 37.24254 67.91868 25.18145 12.40710       44.95678 
1 1 1 -7  -6  1  o 270.3260 11.46370 1757.364       147.8202 1724.201       209.2065 1790.427       208.8927 266.9067 16.47514 272.0711 16.13194 -5.164368      23.05796 
1 1 1 -7  -6  2  o 298.9122 8.412490 2141.929       120.1004 1956.280       239.3350 2204.412       138.8478 284.2379 17.70013 303.1154 9.593339 -18.87753      20.13273 
1 1 1 -7  -6  3  o 49.38212 10.46980 60.67701       23.95017 51.20493       42.49779 65.08553       28.99279 47.56295 15.90337 51.06422 12.06818 -3.501278      19.96392 
1 1 1 -7  -6  4  o 95.71749 9.320355 221.5267       42.11175 134.8541       61.60273 297.5621       57.69880 73.38212 17.75376 110.8675 11.03188 -37.48539      20.90211 
1 1 1 -7  -6  5  o 580.5502 9.906502 8074.230       274.9593 7603.477       775.5199 8141.914       294.0623 558.0300 29.17008 582.8932 10.55217 -24.86322      31.02003 
1 1 1 -7  -6  6  o 744.5619 11.30716 13288.08       402.4970 13205.50       423.1123 14074.19       1305.380 742.1312 11.92523 756.0157 36.22120 -13.88452      38.13380 
1 1 1 -7  -6  7  o 167.0157 8.324616 669.4292       66.26112 644.1660       102.0325 687.8539       87.13557 163.3309 13.17838 169.0771 10.83664 -5.746170      17.06173 
1 1 1 -7  -6  8  o 581.7302 10.15777 8107.651       282.5064 8054.119       792.3759 8115.447       302.3776 574.5598 28.93932 581.9155 10.86879 -7.355713      30.91302 
1 1 1 -7  -6  9  o 477.4054 17.22899 5491.523       392.5931 5506.880       556.4608 5476.302       553.9685 476.1559 24.52693 474.8415 24.48483 1.314331       34.65656 
1 1 1 -7  -6  10 o 613.5948 10.25892 9022.071       300.9483 7536.781       819.0640 9253.888       323.5824 554.5104 31.01947 621.3309 10.89315 -66.82043      32.87656 
1 1 1 -7  -6  11 o 433.2304 23.08305 4557.901       476.3762 4557.901       476.3762 0.000000       0.000000 433.2304 23.08305 ?        ?        0.000000       23.08305 
1 1 1 -7  -6  12 o 256.2579 12.32094 1579.651       150.5065 1193.018       215.6743 1946.664       210.1306 221.2334 20.62880 284.0480 15.53264 -62.81459      25.82267 
1 1 1 -7  -6  13 o 263.0459 10.43023 1661.870       130.9098 1247.472       197.2274 1988.215       175.0239 226.6065 18.36199 287.4338 12.76840 -60.82729      22.36504 
1 1 1 -7  -6  14 o 659.2509 10.97280 10431.31       345.8411 9401.662       973.0829 10580.17       369.9977 615.0084 33.21814 663.7651 11.65940 -48.75677      35.20492 
1 1 1 -7  -6  15 o 207.8763 12.47314 1042.836       123.3920 1035.347       191.8950 1048.115       161.1176 205.6692 19.75858 207.7022 16.35725 -2.033035      25.65075 
1 1 1 -7  -6  16 o 401.2157 15.57207 3894.445       298.1310 3780.185       425.1871 4004.951       418.1431 392.6329 22.74828 404.6280 21.69459 -11.99506      31.43468 
1 1 1 -7  -6  17 o 404.9360 9.498666 3937.335       183.8897 3684.519       282.7117 4122.740       242.1036 390.0763 15.18856 413.5668 12.25820 -23.49051      19.51809 
1 1 1 -7  -6  18 o 141.6115 13.68573 488.7852       91.50304 477.7234       145.2296 496.0673       117.8330 137.6823 22.86489 141.7542 17.77679 -4.071945      28.96235 
1 1 1 -7  -6  19 o 90.02605 22.73220 207.4697       97.84383 225.1974       130.6169 184.8030       147.6959 93.84835 27.40716 87.77991 29.64999 6.068443       40.37666 
1 1 1 -7  -6  20 o 227.4156 12.38263 1252.204       134.1219 1496.365       201.1026 1056.595       180.0010 247.2902 17.11552 207.2209 18.35885 40.06931       25.09957 
1 1 1 -7  -6  21 f 143.9648 16.83528 511.6798       113.6883 410.4158       155.8735 626.7779       166.1800 125.7729 26.74628 157.6779 22.69750 -31.90498      35.07905 
1 1 1 -7  -6  22 o 136.3288 14.91786 456.7685       95.64496 485.8652       153.4604 438.2869       122.3052 137.8164 24.17190 132.0959 19.99071 5.720505       31.36732 
1 1 1 -7  -6  23 o 66.57461 22.31363 105.1419       83.65592 -2.126054      146.0229 157.5488       102.0657 62.07750 26.84020 79.06367 24.48917 -16.98617      36.33340 
1 1 1 -7  -6  24 o 153.4057 15.11669 579.1080       109.4291 795.3388       183.9805 460.7349       136.1255 177.3933 22.17647 134.4853 21.92649 42.90805       31.18600 
1 1 1 -7  -6  25 o 117.3052 23.82749 356.8158       129.0648 538.5076       184.4664 182.5759       180.6439 143.0346 27.97802 89.05312 32.55896 53.98151       42.92849 
1 1 1 -7  -6  26 o 176.8101 17.90300 778.5982       149.2523 727.1100       223.8655 819.7973       200.2522 165.4373 29.38007 178.7120 24.04744 -13.27461      37.96667 
1 1 1 -7  -6  27 o 89.92775 28.69612 212.9696       139.1357 139.0710       204.3161 276.8739       189.9982 84.76754 33.70024 101.2918 33.62039 -16.52428      47.60291 
1 1 1 -7  -6  28 o 93.37347 25.52253 234.1085       117.1675 288.8156       174.8077 189.4827       157.8818 102.2099 32.10940 86.53241 30.58616 15.67754       44.34554 
1 1 1 -7  -6  29 o 29.87308 14.83770 -191.3878      81.70624 145.4304       212.5124 -249.8139      88.50958 84.85407 34.15371 29.08226 14.59442 55.77181       37.14126 
1 1 1 -7  -6  30 o 93.88540 23.38126 240.3191       104.5480 -126.6795      322.9543 283.2819       110.4982 75.98463 35.56806 102.1667 23.15884 -26.18211      42.44312 
1 1 1 -7  -6  31 o 131.8209 17.96494 450.7463       110.2755 242.9184       212.1861 527.6532       129.0766 92.01331 34.95704 141.7959 19.56093 -49.78263      40.05776 
1 1 1 -7  -6  32 o 62.19009 26.11662 57.04229       131.3344 97.48398       200.6198 26.71273       173.7369 74.32999 31.78846 64.98795 28.65800 9.342041       42.79938 
1 1 1 -7  -6  33 o 51.77073 24.02158 -60.75093      142.2309 179.6481       224.3339 -222.3395      183.9221 81.01820 34.08488 49.63702 24.16521 31.38118       41.78201 
1 1 1 -7  -5  1  o 214.0081 10.09557 1101.442       103.0015 1121.135       146.0135 1081.935       145.3211 215.2776 14.26734 211.4292 14.46368 3.848419       20.31638 
1 1 1 -7  -5  2  f 165.7251 9.190086 660.4360       72.52910 668.0086       102.9959 652.9869       102.1526 166.1777 13.06910 164.2802 13.11518 1.897415       18.51511 
1 1 1 -7  -5  3  o 434.7506 9.284348 4530.008       192.9745 4687.990       469.4576 4497.887       211.6857 438.9412 22.44533 433.0858 10.22372 5.855377       24.66409 
1 1 1 -7  -5  4  o 118.6829 8.409281 339.0332       47.40606 372.1653       68.96743 309.3585       65.26985 123.9924 11.77547 112.8720 12.29377 11.12035       17.02347 
1 1 1 -7  -5  5  o 265.0832 11.40810 1688.089       144.2402 1676.084       204.8276 1699.899       203.1555 263.4528 16.34259 265.3658 16.08868 -1.913055      22.93307 
1 1 1 -7  -5  6  o 829.3903 11.33245 16490.55       449.3567 16302.98       1549.159 16507.78       469.5438 810.5829 40.09964 829.7161 11.83691 -19.13318      41.81020 
1 1 1 -7  -5  7  o 595.3040 10.26351 8490.590       292.1078 8527.529       313.0360 8241.714       812.5362 596.5007 10.97678 581.1284 29.34065 15.37231       31.32672 
1 1 1 -7  -5  8  f 689.3181 23.40810 11505.47       770.3069 12011.53       1090.311 11001.14       1088.448 700.1340 32.66326 669.2233 34.13227 30.91071       47.24300 
1 1 1 -7  -5  9  o 328.9634 13.10198 2600.786       205.6475 2620.901       292.3337 2581.079       289.3483 329.3377 18.64259 326.8273 18.59473 2.510437       26.33078 
1 1 1 -7  -5  10 o 191.4839 9.447307 880.4056       86.21953 1014.448       137.2005 792.9230       110.8399 205.0603 14.08023 181.3316 12.86902 23.72868       19.07523 
1 1 1 -7  -5  11 o 434.5594 16.06565 4548.307       333.2019 4726.596       473.2951 4373.113       469.1692 441.4306 22.50071 424.3607 23.21363 17.06982       32.32885 
1 1 1 -7  -5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -5  13 o 294.9848 11.42086 2090.718       160.7628 2320.656       216.4211 1807.645       240.1286 310.3153 14.62892 273.0832 18.50172 37.23212       23.58642 
1 1 1 -7  -5  14 o 176.5199 12.23859 751.9008       102.6446 603.4180       151.0479 879.2997       139.9134 156.5280 20.69055 190.4562 15.49970 -33.92819      25.85226 
1 1 1 -7  -5  15 o 474.9784 11.63849 5419.731       264.2888 5561.833       305.2338 4994.087       528.2692 480.6228 13.29650 451.4851 24.56647 29.13766       27.93400 
1 1 1 -7  -5  16 o 147.5388 15.20241 530.7471       105.6993 477.7829       145.1017 590.6261       154.2832 138.1959 22.75301 154.3152 21.49488 -16.11928      31.30063 
1 1 1 -7  -5  17 o 400.1891 15.51199 3877.667       296.2225 3951.368       424.8791 3807.958       413.2084 401.3141 22.23171 394.0384 22.02184 7.275696       31.29234 
1 1 1 -7  -5  18 f 350.4706 11.21640 2959.145       187.6954 3210.439       350.3305 2857.970       222.2915 361.9117 20.32901 343.8067 13.55038 18.10492       24.43116 
1 1 1 -7  -5  19 o 145.3353 13.47138 514.6844       92.53812 604.4730       146.1196 454.5571       119.5732 155.9455 20.06302 135.1901 19.02603 20.75540       27.64986 
1 1 1 -7  -5  20 o 190.1220 13.52746 878.5500       122.1549 860.8373       175.1368 895.3301       170.4642 186.3951 19.96388 190.4479 18.97403 -4.052795      27.54216 
1 1 1 -7  -5  21 o 269.0515 12.44816 1752.478       159.6873 2424.636       266.7849 1377.209       199.3409 314.5937 17.81068 236.8580 17.73224 77.73569       25.13270 
1 1 1 -7  -5  22 o 246.9306 14.18282 1483.975       166.7305 1515.984       283.3670 1467.026       206.2024 245.3752 24.48159 244.2790 17.77797 1.096207       30.25565 
1 1 1 -7  -5  23 o 147.0609 15.50491 532.5311       107.3734 719.9968       181.9808 432.4151       132.9892 168.5393 23.19962 130.3314 22.13403 38.20787       32.06459 
1 1 1 -7  -5  24 o 293.4092 13.90886 2097.513       194.5519 2378.915       296.3090 1884.270       257.9400 309.3826 20.14226 275.4343 19.71856 33.94827       28.18744 
1 1 1 -7  -5  25 o 156.5889 18.68183 612.6016       137.1031 726.4349       210.1198 528.2036       180.9250 166.9813 27.25994 141.6997 27.69999 25.28157       38.86378 
1 1 1 -7  -5  26 o 150.0179 19.41134 565.9575       135.9611 578.7542       197.5630 554.4441       187.3957 147.5496 29.04102 144.7919 28.08476 2.757660       40.39968 
1 1 1 -7  -5  27 o 138.3644 22.30853 494.1719       142.5544 229.5262       210.4636 718.5091       193.7738 95.97755 35.13522 165.8471 25.23325 -69.86953      43.25737 
1 1 1 -7  -5  28 o 175.4051 18.60917 776.0758       153.6768 821.9092       235.2707 741.9682       202.9560 174.3046 29.26897 167.3414 26.22947 6.963135       39.30213 
1 1 1 -7  -5  29 o 81.99407 30.87215 156.8486       164.6311 275.1644       310.0638 110.3982       194.2784 104.2986 41.49884 79.49210 32.41405 24.80653       52.65761 
1 1 1 -7  -5  30 o 75.69324 28.44077 135.5963       139.5627 206.4871       194.3440 60.10955       200.5449 89.08221 33.54223 74.02711 31.72343 15.05510       46.16771 
1 1 1 -7  -5  31 o 54.14646 24.84130 -60.31478      146.0409 -122.9001      211.2028 -2.974037      202.1599 61.01873 28.62685 67.64233 30.30280 -6.623600      41.68640 
1 1 1 -7  -5  32 o 90.14021 30.42435 241.9259       155.5109 133.3490       222.4759 345.6631       217.4612 79.94127 33.80396 103.0573 35.93751 -23.11600      49.33773 
1 1 1 -7  -5  33 o 73.32408 31.49705 106.7759       198.5716 -438.5761      386.6704 302.1152       231.4181 66.09301 32.73167 93.90160 36.29557 -27.80859      48.87464 
1 1 1 -7  -4  1  o 231.9015 6.794456 1289.116       75.24856 1362.055       107.5439 1219.155       105.3259 238.0720 9.467512 225.1719 9.807433 12.90009       13.63156 
1 1 1 -7  -4  2  o 473.3777 7.284328 5367.381       164.8564 5153.491       234.1926 5577.477       232.1056 463.3380 10.57224 482.1149 10.06994 -18.77695      14.60054 
1 1 1 -7  -4  3  o 380.3966 8.832688 3468.104       160.6342 3535.755       180.5687 3211.458       351.6990 383.8416 9.847836 363.4680 20.32025 20.37369       22.58080 
1 1 1 -7  -4  4  o 386.5301 7.166927 3576.873       132.4417 3572.649       189.5769 3580.899       185.1048 385.8565 10.28581 386.3383 10.03019 -0.4817505     14.36672 
1 1 1 -7  -4  5  o 565.8766 9.901505 7674.129       267.8745 7728.908       287.8629 7320.273       731.6315 567.7864 10.60455 547.1246 28.06411 20.66174       30.00085 
1 1 1 -7  -4  6  o 541.0602 7.522392 7007.192       194.5853 7291.190       278.5333 6736.451       271.9549 551.5616 10.56269 530.1422 10.72991 21.41943       15.05661 
1 1 1 -7  -4  7  o 131.6446 9.043944 416.9608       56.57476 498.6515       84.82077 351.4933       75.93265 143.6508 12.47407 120.2845 13.43322 23.36636       18.33177 
1 1 1 -7  -4  8  o 285.7917 9.294480 1958.153       126.8250 1951.803       151.8726 1972.782       230.5341 285.1435 11.16214 285.8960 16.94223 -0.7525024     20.28873 
1 1 1 -7  -4  9  o 324.1956 13.06721 2525.972       202.1192 2405.975       286.6786 2644.574       285.0081 315.4175 19.10035 330.9330 18.08265 -15.51550      26.30220 
1 1 1 -7  -4  10 o 122.4850 10.46962 362.1336       60.72141 343.8538       84.24702 381.8961       87.59697 118.6702 15.19763 125.2044 14.92760 -6.534241      21.30261 
1 1 1 -7  -4  11 o 61.24187 16.03494 93.50043       47.49258 123.9524       93.84836 83.01720       55.06385 72.69152 23.60230 58.66621 17.95464 14.02531       29.65531 
1 1 1 -7  -4  12 o 377.8142 14.57903 3435.616       262.8449 3655.636       375.1611 3223.491       368.3695 388.5281 20.26708 364.5438 21.22798 23.98428       29.34930 
1 1 1 -7  -4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -4  14 o 334.1937 14.21516 2690.956       226.6028 2414.761       326.3032 2948.230       314.9288 314.8386 21.81315 348.7889 18.95732 -33.95026      28.89972 
1 1 1 -7  -4  15 o 249.2543 12.19607 1496.430       144.8940 1406.479       225.9300 1559.273       188.8433 240.1151 19.85837 253.8394 15.63678 -13.72432      25.27575 
1 1 1 -7  -4  16 o 340.6851 12.19396 2794.734       198.2920 2833.741       254.4356 2734.393       316.4568 342.2758 15.58960 334.9886 19.84848 7.287170       25.23882 
1 1 1 -7  -4  17 o 87.63750 22.25273 194.9126       93.39122 160.7889       122.3026 242.6395       144.6401 82.05817 26.96303 97.94395 28.90566 -15.88579      39.52900 
1 1 1 -7  -4  18 o 111.9352 15.17204 308.4589       79.10471 363.1983       133.7037 278.9786       98.12032 119.4153 24.24821 105.2214 20.23981 14.19385       31.58521 
1 1 1 -7  -4  19 o 115.4717 19.07287 333.6556       101.6203 413.2942       146.6207 260.0357       140.9714 127.1272 25.01525 100.4334 28.20517 26.69380       37.70006 
1 1 1 -7  -4  20 o 76.60973 21.50139 148.6577       81.94970 208.9989       142.8111 119.0335       100.0641 91.34393 29.06422 71.58228 24.40250 19.76164       37.95011 
1 1 1 -7  -4  21 o 184.9698 12.82292 830.9057       112.6936 1205.146       191.5013 632.6489       139.3833 221.3161 18.26118 159.8032 18.59053 61.51285       26.05913 
1 1 1 -7  -4  22 o 112.4207 17.09443 315.1780       88.98716 445.9142       170.0946 265.9113       104.4165 130.5848 28.08014 101.8087 22.08865 28.77612       35.72678 
1 1 1 -7  -4  23 o 196.7384 22.03031 971.9417       203.6595 971.9417       203.6595 0.000000       0.000000 196.7384 22.03031 ?        ?        0.000000       22.03031 
1 1 1 -7  -4  24 o 259.8762 13.48539 1644.601       166.9745 1989.269       311.3722 1505.478       197.8237 280.9077 23.39729 247.3413 16.82937 33.56641       28.82119 
1 1 1 -7  -4  25 o 360.2183 11.89473 3146.245       204.5656 3072.615       385.7006 3175.063       241.3003 349.1223 23.24043 360.8810 14.01237 -11.75864      27.13787 
1 1 1 -7  -4  26 o 97.06400 26.54040 248.7767       126.6743 511.8486       189.6704 36.95138       170.1967 138.3227 29.57703 70.11552 29.60369 68.20721       41.84710 
1 1 1 -7  -4  27 o 84.48775 27.62390 182.9688       128.4400 326.0431       191.9778 67.03402       172.8132 108.9115 33.56063 73.22517 30.29006 35.68633       45.20845 
1 1 1 -7  -4  28 o 79.28029 28.66394 150.0732       139.4699 -44.72281      218.0415 284.9649       181.4437 69.73194 31.33623 101.8033 32.79842 -32.07132      45.36184 
1 1 1 -7  -4  29 o 106.0928 33.88945 319.1693       194.0143 276.3989       341.0830 339.6270       235.8942 105.9161 43.03822 108.8178 37.45634 -2.901619      57.05494 
1 1 1 -7  -4  30 o 104.0859 30.23321 308.6036       159.3250 481.3322       213.5437 91.71980       239.2865 127.3882 34.30383 81.48272 34.77866 45.90543       48.84985 
1 1 1 -7  -4  31 o 77.84637 27.13365 162.2666       123.9581 134.3803       216.9119 175.7900       151.0533 81.16528 33.78605 81.27676 29.76394 -0.1114807     45.02654 
1 1 1 -7  -4  32 o 86.56623 29.43839 217.9143       145.6126 -33.96477      361.6043 266.6626       159.0806 80.70523 37.73171 94.11777 30.74093 -13.41254      48.66916 
1 1 1 -7  -4  33 o 63.52283 26.42340 73.83469       132.5386 -14.15568      224.5817 120.8581       164.1776 66.90096 30.73426 72.18179 29.65680 -5.280830      42.70972 
1 1 1 -7  -3  1  o 108.9563 7.055198 285.5683       36.55346 294.5540       53.38816 277.6388       50.15225 110.2901 10.24214 107.0948 9.907491 3.195290       14.24991 
1 1 1 -7  -3  2  o 523.3398 9.578264 6570.398       239.6508 6388.624       646.2413 6599.382       258.0505 509.3594 26.63012 524.3485 10.29381 -14.98914      28.55041 
1 1 1 -7  -3  3  o 268.8260 6.995622 1731.620       89.83318 1702.875       129.2674 1758.468       124.9302 266.2307 10.17473 270.6126 9.671859 -4.381958      14.03816 
1 1 1 -7  -3  4  o 272.1631 7.105241 1774.606       92.37296 1704.164       133.0258 1840.203       128.3688 266.3533 10.46684 276.8873 9.712276 -10.53400      14.27877 
1 1 1 -7  -3  5  o 586.1446 10.06287 8235.134       281.9909 8272.446       301.9830 7980.996       788.1187 587.3574 10.75404 570.7120 28.97945 16.64539       30.91048 
1 1 1 -7  -3  6  o 492.8879 10.68517 5823.215       251.7898 5823.215       251.7898 0.000000       0.000000 492.8879 10.68517 ?        ?        0.000000       10.68517 
1 1 1 -7  -3  7  o 246.0493 8.714645 1451.439       102.3514 1547.124       185.9419 1409.844       122.5958 253.2702 15.42944 242.3204 10.60793 10.94983       18.72420 
1 1 1 -7  -3  8  o 263.8969 7.688285 1668.307       96.89670 1563.195       140.4926 1763.666       133.8163 255.0901 11.54993 271.1112 10.34310 -16.02115      15.50421 
1 1 1 -7  -3  9  o 251.4305 8.944078 1515.776       107.3420 1428.652       189.6472 1556.844       130.2063 243.1969 16.40700 254.6515 10.71889 -11.45467      19.59807 
1 1 1 -7  -3  10 o 126.1059 9.956923 383.3721       59.54333 382.6650       87.26993 383.9879       81.44544 125.3420 14.85154 125.7244 13.77525 -0.3823929     20.25650 
1 1 1 -7  -3  11 o 84.27182 13.57687 174.7793       52.84218 235.8333       99.77818 150.9804       62.29556 96.87216 22.04202 77.69306 17.22361 19.17910       27.97326 
1 1 1 -7  -3  12 o 345.0873 13.75410 2864.835       226.4638 2810.806       322.1389 2917.627       318.4297 340.6393 19.86685 347.2090 19.25834 -6.569672      27.66904 
1 1 1 -7  -3  13 o 413.9448 11.68937 4114.563       231.1037 4153.157       274.5023 4020.624       428.2614 415.5089 13.83769 406.8347 22.10123 8.674225       26.07578 
1 1 1 -7  -3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -3  15 o 243.3905 11.67293 1426.027       135.4329 845.8632       209.2971 1843.941       177.6359 184.7369 24.28497 276.5402 13.47640 -91.80328      27.77360 
1 1 1 -7  -3  16 o 337.1183 14.34899 2744.051       230.7372 2579.615       334.7464 2892.898       318.4840 324.7604 21.68402 344.7549 19.40103 -19.99448      29.09633 
1 1 1 -7  -3  17 o 179.2351 13.38945 778.4500       113.9055 471.2159       180.8919 980.3090       146.6252 135.4711 28.81640 200.8506 15.38674 -65.37953      32.66706 
1 1 1 -7  -3  18 o 91.06426 23.42954 211.5437       102.5894 288.3958       146.5640 137.7206       143.6466 105.7770 28.39087 80.30729 29.08244 25.46976       40.64271 
1 1 1 -7  -3  19 o 194.7903 12.95966 920.0195       120.0030 1005.378       195.8839 868.7374       151.8305 201.5710 20.61658 188.2794 17.05209 13.29153       26.75476 
1 1 1 -7  -3  20 o 83.30748 20.08959 176.8815       79.07746 212.7247       146.2761 162.0806       93.99693 92.13663 29.42566 80.02211 23.21566 12.11452       37.48115 
1 1 1 -7  -3  21 o 146.9980 19.80734 539.2554       135.6630 571.1949       258.1331 527.0670       159.4610 145.1266 37.07408 143.9294 24.01970 1.197113       44.17503 
1 1 1 -7  -3  22 o 127.2724 19.85902 407.2161       116.8934 624.6388       171.8205 219.8763       159.4915 156.8707 23.64389 93.65112 30.79166 63.21960       38.82215 
1 1 1 -7  -3  23 o 99.83006 24.60290 259.2424       116.6564 223.7271       169.2720 291.3686       160.9933 94.55119 31.74113 105.0996 30.35062 -10.54839      43.91651 
1 1 1 -7  -3  24 o 210.6366 14.43162 1085.064       144.4525 1109.313       226.5190 1068.443       187.5325 209.4552 22.99851 207.2565 19.14224 2.198730       29.92252 
1 1 1 -7  -3  25 o 375.6439 12.02533 3423.020       215.6860 3308.930       414.5999 3465.354       252.5514 361.4709 24.12912 376.9693 14.03766 -15.49832      27.91541 
1 1 1 -7  -3  26 o 201.2003 17.85365 1005.180       169.9558 1149.519       341.7599 957.7566       195.8962 204.3983 36.30310 194.8040 21.38509 9.594299       42.13357 
1 1 1 -7  -3  27 o 67.07323 27.00770 67.38790       132.9447 -359.4402      200.7805 400.6202       177.4061 50.08124 24.56500 121.0551 30.63306 -70.97388      39.26606 
1 1 1 -7  -3  28 o 99.23357 28.18081 267.9356       139.9246 466.6857       213.9373 119.3573       184.9740 127.8602 34.29364 79.96341 31.97405 47.89680       46.88703 
1 1 1 -7  -3  29 o 62.78555 24.83054 68.69128       110.3737 112.5324       366.6867 64.32342       115.7414 95.81307 41.96209 63.04010 25.26332 32.77297       48.98012 
1 1 1 -7  -3  30 o 65.94990 26.03963 81.62679       121.2047 236.6629       203.8172 -3.196127      150.7582 93.81126 34.53700 60.97930 26.80006 32.83195       43.71553 
1 1 1 -7  -3  31 o 98.15473 27.49090 275.8534       134.1128 131.0487       220.4370 360.9503       168.9857 81.23669 33.95609 110.2643 30.85020 -29.02758      45.87756 
1 1 1 -7  -3  32 o 94.46443 30.43800 268.5040       156.2639 153.4184       369.1138 293.6341       172.4831 90.41865 40.69025 97.74350 32.01488 -7.324852      51.77499 
1 1 1 -7  -3  33 o 100.1656 28.64405 308.6846       144.0667 217.3317       232.8392 365.3527       183.3850 85.84389 35.29910 105.3464 32.85743 -19.50254      48.22486 
1 1 1 -7  -3  34 o 50.62511 24.56468 -194.4785      185.8627 -157.6961      232.8331 -259.0888      308.5855 58.64769 28.21888 62.68983 30.68803 -4.042137      41.69005 
1 1 1 -7  -2  1  o 51.18279 8.606783 64.51494       20.31409 55.97821       32.34254 70.07684       26.10599 47.62846 13.55617 53.08565 10.65686 -5.457191      17.24351 
1 1 1 -7  -2  2  o 261.7629 6.848482 1641.912       85.63229 1673.491       122.6881 1611.915       119.5765 263.9447 9.739275 259.0453 9.672194 4.899384       13.72606 
1 1 1 -7  -2  3  o 363.3571 7.023297 3161.305       122.0065 3240.942       174.5994 3085.312       170.5582 367.4658 9.947570 358.5260 9.960119 8.939789       14.07686 
1 1 1 -7  -2  4  o 305.9557 7.033504 2240.969       102.8818 2243.178       147.4997 2238.876       143.5735 305.7014 10.10608 305.4398 9.844821 0.2615356      14.10863 
1 1 1 -7  -2  5  f 223.6395 8.106277 1199.220       86.52850 1293.303       107.5204 1026.291       145.7702 232.1089 9.710712 206.0690 14.89667 26.03987       17.78226 
1 1 1 -7  -2  6  o 563.5244 19.73210 7671.057       530.7912 7745.696       751.4047 7596.716       749.9017 563.3118 27.98846 557.7624 28.21367 5.549438       39.74123 
1 1 1 -7  -2  7  o 656.6665 10.59050 10333.87       332.4832 10863.21       1011.101 10269.69       352.0621 665.8540 31.85433 654.5183 11.25095 11.33569       33.78287 
1 1 1 -7  -2  8  o 895.6730 11.89769 19237.20       509.4721 19854.86       1824.625 19184.97       530.5746 892.3978 42.89238 894.3332 12.40906 -1.935364      44.65132 
1 1 1 -7  -2  9  o 117.5294 10.15611 333.4191       56.50729 416.0450       90.66158 280.9306       72.25986 130.7869 14.75678 107.1996 14.46827 23.58729       20.66624 
1 1 1 -7  -2  10 o 328.6557 9.250449 2589.255       145.2045 2436.788       288.5588 2640.953       168.0284 317.3602 19.10687 331.7783 10.60681 -14.41809      21.85353 
1 1 1 -7  -2  11 o 307.8021 9.506021 2271.911       139.7197 2307.781       266.7615 2258.351       164.0165 308.9519 18.14008 306.6932 11.20484 2.258698       21.32160 
1 1 1 -7  -2  12 o 218.8143 9.505075 1149.360       99.19788 1048.254       150.1693 1227.634       132.1297 208.2446 15.18781 225.8481 12.28326 -17.60344      19.53325 
1 1 1 -7  -2  13 o 591.4407 11.34749 8391.750       320.8629 8352.880       347.5882 8615.759       834.4277 589.8804 12.32516 592.5239 29.54929 -2.643555      32.01672 
1 1 1 -7  -2  14 o 236.7685 13.28557 1351.488       149.7846 1448.288       250.9653 1297.928       186.6788 243.4458 21.79297 231.3866 16.99372 12.05922       27.63549 
1 1 1 -7  -2  15 o 293.3919 11.72834 2070.948       164.1788 2063.773       284.7026 2074.523       200.9585 290.9511 20.60063 293.1736 14.38137 -2.222473      25.12389 
1 1 1 -7  -2  16 o 459.4498 12.85610 5084.065       282.1164 5206.985       339.0666 4807.520       508.5760 464.2572 15.29718 442.6125 24.12509 21.64474       28.56612 
1 1 1 -7  -2  17 o 376.0547 12.55420 3409.021       225.3925 3041.106       267.1137 4318.634       420.0016 354.2808 15.81014 420.2698 20.96952 -65.98904      26.26178 
1 1 1 -7  -2  18 o 290.1544 10.87149 2027.976       150.5421 2501.496       282.5403 1840.254       177.8972 320.0597 18.54405 275.7931 13.53335 44.26660       22.95721 
1 1 1 -7  -2  19 o 237.0168 13.03470 1360.657       147.1340 1422.946       229.5466 1317.218       191.6905 240.2561 20.17031 232.0053 17.40898 8.250763       26.64421 
1 1 1 -7  -2  20 o 44.04080 20.47817 -88.45270      104.2101 15.55199       142.8431 -206.7907      152.3684 63.69956 27.01802 47.97322 23.01643 15.72634       35.49267 
1 1 1 -7  -2  21 o 157.0074 16.15929 606.0955       119.5672 1026.543       274.8492 507.9523       132.7909 199.3219 29.75194 142.4913 20.04613 56.83057       35.87514 
1 1 1 -7  -2  22 o 394.2636 16.18189 3795.957       304.3689 3611.943       443.2807 3960.096       418.6589 379.3918 24.57110 399.1609 22.02371 -19.76910      32.99671 
1 1 1 -7  -2  23 o 205.9505 13.60975 1033.563       133.2539 1279.951       217.8211 886.2042       168.4532 226.7852 20.30447 188.9401 18.90212 37.84512       27.74097 
1 1 1 -7  -2  24 o 287.4978 15.23948 2022.719       208.7175 1733.230       334.0350 2208.130       267.3278 259.4785 27.33692 298.6328 18.81969 -39.15433      33.18867 
1 1 1 -7  -2  25 o 265.5964 13.67535 1721.244       173.0630 2406.718       283.7716 1315.306       218.3750 311.2571 19.16248 229.3159 20.12241 81.94119       27.78691 
1 1 1 -7  -2  26 o 33.47636 16.88235 -394.8430      126.3645 -429.7308      185.0607 -364.3669      172.9646 44.65388 22.20452 44.62937 22.06397 0.2451706E-01  31.30270 
1 1 1 -7  -2  27 o 232.3087 16.93175 1338.038       186.7599 1136.640       356.4918 1414.221       219.2558 199.7766 38.72300 237.5095 19.48011 -37.73286      43.34681 
1 1 1 -7  -2  28 f 158.4793 20.97541 644.2715       155.0263 660.8985       232.3223 630.9252       208.1453 153.6434 32.63630 151.8948 29.72735 1.748596       44.14571 
1 1 1 -7  -2  29 o 141.0559 18.50953 506.7980       121.8142 970.0728       232.9209 332.3805       142.9171 190.7275 26.23846 109.9986 27.30410 80.72887       37.86781 
1 1 1 -7  -2  30 o 114.8154 24.87158 358.0746       132.5694 541.4294       216.1895 247.5796       167.8262 136.0036 33.47765 94.23714 31.60495 41.76645       46.03940 
1 1 1 -7  -2  31 o 155.8952 20.44463 639.5219       148.7086 292.5388       232.8142 878.6527       193.2738 98.56729 36.79539 181.1147 22.82683 -82.54741      43.30086 
1 1 1 -7  -2  32 o 68.06313 31.57859 -63.86922      245.7180 -51.30905      615.1968 -66.25330      268.0255 93.08256 45.05322 70.43869 32.78276 22.64387       55.71806 
1 1 1 -7  -2  33 o 93.21529 36.01196 290.9428       227.7306 597.1789       382.5639 122.8709       283.4153 114.8238 45.95922 80.67861 36.02996 34.14518       58.39870 
1 1 1 -7  -2  34 o 80.92020 31.48161 208.3779       174.9628 766.1893       608.6283 158.1281       182.6736 104.8116 48.98551 75.37008 31.15645 29.44156       58.05433 
1 1 1 -7  -1  1  o 151.0280 6.820026 547.2772       49.11678 542.5615       70.92369 551.6232       68.08638 150.0606 9.941958 151.3703 9.455524 -1.309738      13.72040 
1 1 1 -7  -1  2  f 261.9321 6.898750 1643.805       86.31559 1606.600       123.5102 1679.321       120.6765 258.6205 10.00811 264.4724 9.559806 -5.851929      13.84023 
1 1 1 -7  -1  3  o 293.2004 8.395675 2061.082       117.5658 1939.119       236.3252 2101.192       135.5260 282.9573 17.55599 295.9090 9.592464 -12.95172      20.00570 
1 1 1 -7  -1  4  o 78.27778 8.917100 148.6828       32.77676 139.8690       51.21371 154.7975       42.65725 74.97663 14.81292 79.50516 11.56099 -4.528526      18.79040 
1 1 1 -7  -1  5  o 70.75988 9.605701 122.1487       31.65726 147.5765       45.31948 97.91753       44.24028 77.42226 12.68236 62.58249 14.98478 14.83977       19.63125 
1 1 1 -7  -1  6  o 578.3346 7.699595 8006.417       212.8901 7849.998       304.6385 8155.719       297.6280 572.2253 11.13549 583.3304 10.67212 -11.10510      15.42379 
1 1 1 -7  -1  7  o 657.0171 23.02567 10454.89       722.1469 9803.364       1022.025 11104.50       1020.516 631.3599 33.98442 673.2165 31.79698 -41.85657      46.54018 
1 1 1 -7  -1  8  o 127.9464 9.431210 394.2263       57.28495 512.3401       89.49073 312.2300       74.56320 145.5489 12.99720 113.1737 14.08460 32.37524       19.16515 
1 1 1 -7  -1  9  o 574.7857 7.937537 7909.088       218.1223 7657.223       313.9715 8144.048       303.2508 565.0867 11.62162 582.8859 10.88203 -17.79913      15.92108 
1 1 1 -7  -1  10 o 447.9133 7.889829 4803.063       168.9546 4656.851       246.0439 4933.525       232.4140 440.4944 11.69359 453.6685 10.71557 -13.17407      15.86076 
1 1 1 -7  -1  11 o 575.5980 8.139446 7933.039       223.9868 8115.825       326.2611 7770.085       308.0529 581.6705 11.73221 569.2136 11.31988 12.45691       16.30290 
1 1 1 -7  -1  12 o 319.7387 10.57135 2453.765       161.3752 2523.393       200.1972 2324.587       272.6830 323.9222 12.95346 309.8939 18.48910 14.02829       22.57518 
1 1 1 -7  -1  13 o 340.4806 10.19716 2781.915       165.8022 2901.560       322.3905 2738.889       193.3291 345.9658 19.57110 337.5840 11.99770 8.381836       22.95589 
1 1 1 -7  -1  14 o 236.0640 12.86363 1343.060       144.6297 1288.176       220.6872 1384.379       191.4822 229.7709 20.29825 238.9879 16.86720 -9.217010      26.39170 
1 1 1 -7  -1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -1  16 o 162.6047 16.16019 645.1069       123.9675 408.3554       265.1075 711.3629       140.2453 126.3273 39.52178 170.5547 17.44499 -44.22745      43.20068 
1 1 1 -7  -1  17 o 388.0782 16.24899 3652.102       300.8099 3107.543       435.5421 4148.776       415.9525 354.0082 25.91359 411.6479 21.20683 -57.63968      33.48498 
1 1 1 -7  -1  18 o 413.9384 16.58816 4164.569       327.6136 3917.638       473.0700 4392.133       454.1408 397.2975 25.03309 422.1806 22.58224 -24.88306      33.71370 
1 1 1 -7  -1  19 o 90.53214 22.54475 209.8560       97.20551 81.12239       192.0939 254.1672       112.7001 79.47300 32.29650 99.43054 23.98667 -19.95754      40.22964 
1 1 1 -7  -1  20 o 110.3704 19.46363 306.8648       98.95132 351.0304       170.3983 284.3936       121.5449 115.4754 30.43949 104.9239 24.65108 10.55148       39.16936 
1 1 1 -7  -1  21 f 218.7225 15.24066 1168.152       158.3726 1323.098       300.3645 1108.488       186.3867 227.3549 28.24037 211.9531 18.58136 15.40181       33.80511 
1 1 1 -7  -1  22 o 118.5565 19.05689 353.4260       104.3557 503.3560       178.9597 276.1777       128.4563 138.7929 27.93791 102.8457 26.08919 35.94717       38.22528 
1 1 1 -7  -1  23 o 128.9893 18.50545 416.7094       110.8560 231.7990       192.1562 508.9510       135.7180 96.93398 33.78322 142.0932 20.57635 -45.15926      39.55619 
1 1 1 -7  -1  24 f 50.50359 21.76777 -2.119604      95.45723 -135.3869      182.7236 47.90310       111.9480 58.34510 27.12503 61.01761 24.70679 -2.672512      36.69050 
1 1 1 -7  -1  25 o 118.9117 20.55473 360.9814       112.6285 52.95735       197.3263 509.8185       137.1665 75.86722 31.94546 141.6789 20.87537 -65.81169      38.16141 
1 1 1 -7  -1  26 o 71.09901 28.90119 70.99467       153.8760 -159.1804      233.1327 248.6768       204.8311 65.69364 30.57441 98.88798 34.84845 -33.19434      46.35956 
1 1 1 -7  -1  27 o 209.4802 19.14146 1101.346       189.5858 1461.273       251.0086 623.3141       289.2745 239.6676 22.15715 145.5793 40.22665 94.08830       45.92519 
1 1 1 -7  -1  28 o 140.2007 28.87571 537.2611       187.1019 1059.108       534.1024 464.2632       199.7600 169.8597 56.36866 128.0786 32.55776 41.78105       65.09557 
1 1 1 -7  -1  29 o 66.92973 28.54887 35.91654       161.0561 -222.1909      340.2983 110.4189       182.8288 75.37919 35.66096 77.85896 31.55661 -2.479767      47.61852 
1 1 1 -7  -1  30 o 69.26458 29.80414 38.93607       178.3763 614.6985       534.0347 -33.36654      189.2452 128.9992 53.29336 64.74902 29.13720 64.25019       60.73844 
1 1 1 -7  -1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -1  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  -1  33 o 58.11217 25.56745 19.36168       137.5493 -79.40852      293.0442 47.27160       155.7756 69.96538 33.09759 63.40879 27.56713 6.556591       43.07432 
1 1 1 -7  -1  34 o 72.77353 29.47361 147.2687       159.3539 56.71388       520.1948 156.6465       167.4020 82.61652 40.31352 74.21985 30.15396 8.396667       50.34324 
1 1 1 -7  0   1  o 506.6706 7.342850 6146.772       177.8684 5948.604       253.2139 6339.797       249.9065 497.9855 10.63561 514.1758 10.16617 -16.19031      14.71283 
1 1 1 -7  0   2  o 191.8141 6.958511 881.8831       63.70666 844.0983       92.36623 916.1670       87.98314 187.3420 10.35289 195.2938 9.451353 -7.951828      14.01822 
1 1 1 -7  0   3  o 219.6033 7.001112 1155.487       73.41062 1157.801       106.8857 1153.420       101.0006 219.5368 10.21164 219.1767 9.662512 0.3601227      14.05851 
1 1 1 -7  0   4  o 427.1402 7.211607 4366.964       147.2688 4493.908       212.0967 4248.786       204.6425 433.0199 10.24514 421.0530 10.16601 11.96683       14.43297 
1 1 1 -7  0   5  o 255.5671 7.310424 1564.548       89.22970 1529.939       131.1343 1594.387       121.7656 252.4011 10.89282 257.7741 9.898849 -5.373001      14.71872 
1 1 1 -7  0   6  o 104.1252 9.016293 261.5895       44.44219 267.5533       67.05640 256.9179       59.34857 104.6877 13.72837 102.7648 12.32537 1.922958       18.44947 
1 1 1 -7  0   7  o 595.4777 7.870757 8488.361       224.0734 8284.688       322.3028 8678.899       311.7366 587.8237 11.46855 601.7432 10.83598 -13.91943      15.77803 
1 1 1 -7  0   8  o 585.0475 10.13184 8201.614       283.3923 7683.284       789.0004 8278.389       303.6556 560.5275 29.54667 587.6827 10.80762 -27.15527      31.46125 
1 1 1 -7  0   9  f 126.2132 9.842578 383.9827       58.92191 624.2518       103.7083 269.4565       71.60061 160.6716 13.62949 104.8991 14.67821 55.77242       20.03029 
1 1 1 -7  0   10 o 112.4050 10.97753 305.7972       58.24175 298.6942       85.94573 311.8289       79.19977 110.1552 16.85480 112.9180 15.04477 -2.762810      22.59268 
1 1 1 -7  0   11 o 130.7520 12.13693 413.7382       75.00313 394.3863       128.0150 423.8533       92.55210 125.8709 22.07758 131.9461 14.93396 -6.075272      26.65413 
1 1 1 -7  0   12 o 253.2466 11.85445 1542.437       143.1286 1467.421       206.8985 1611.285       198.2098 246.0679 17.70545 258.1935 16.13795 -12.12563      23.95656 
1 1 1 -7  0   13 o 144.2300 11.25793 502.1800       77.01418 479.7253       118.8897 518.4147       101.0912 139.8194 18.21847 146.0681 14.67464 -6.248657      23.39354 
1 1 1 -7  0   14 o 275.8979 10.18408 1828.524       134.1013 1679.353       234.0331 1901.443       163.6270 262.8303 18.74798 281.0569 12.20644 -18.22659      22.37150 
1 1 1 -7  0   15 o 101.8191 24.58022 263.6116       118.2821 261.2798       162.3182 266.2517       172.7180 102.0118 30.74640 103.2487 31.83570 -1.236946      44.25893 
1 1 1 -7  0   16 o 263.5113 14.52207 1680.572       182.2442 1639.114       296.9286 1705.629       230.8381 257.3615 24.42475 264.5074 18.36824 -7.145996      30.56077 
1 1 1 -7  0   17 o 181.8822 14.55409 804.2670       125.5010 892.9753       202.9165 749.3124       159.7119 189.5081 22.85768 174.3442 19.49446 15.16393       30.04177 
1 1 1 -7  0   18 o 87.67791 25.03228 195.4454       110.1133 373.4454       276.2386 161.8189       120.0646 120.9470 40.54763 81.71953 26.70738 39.22746       48.55301 
1 1 1 -7  0   19 o 216.6970 14.09276 1141.674       145.2095 1212.833       225.8797 1091.553       189.5730 220.9219 21.66428 210.4073 19.05174 10.51460       28.84978 
1 1 1 -7  0   20 o 179.0350 16.88004 788.1304       142.7787 1596.449       294.9277 540.6972       163.1748 251.9412 24.80688 145.6748 24.28374 106.2664       34.71428 
1 1 1 -7  0   21 o 490.6899 12.72987 5829.152       298.3819 6826.917       645.0870 5557.580       336.5479 520.8625 25.98728 478.0873 14.74180 42.77518       29.87740 
1 1 1 -7  0   22 o 370.3148 14.53669 3339.177       256.8624 3832.351       450.6371 3101.833       312.6193 390.5328 24.25549 354.8879 18.48913 35.64490       30.49880 
1 1 1 -7  0   23 o 243.6574 16.48058 1459.273       190.8525 1731.199       330.8921 1323.711       233.6306 259.7411 27.04180 229.7954 21.51592 29.94572       34.55711 
1 1 1 -7  0   24 o 99.33289 28.53963 261.6327       142.6953 -111.0711      291.5208 379.0683       163.6393 77.57133 35.40242 118.9746 29.02987 -41.40331      45.78280 
1 1 1 -7  0   25 o 158.3634 23.43476 644.3745       172.0793 1686.246       448.0598 464.1125       186.3721 244.8806 39.62399 130.9913 30.35449 113.8893       49.91449 
1 1 1 -7  0   26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0   27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0   28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0   29 o 152.9471 24.46041 622.4774       172.8363 1129.351       448.2077 533.9397       187.3241 180.1640 50.18245 138.5165 29.20805 41.64749       58.06366 
1 1 1 -7  0   30 o 99.85375 33.87344 289.7251       192.7798 116.6115       272.0835 464.2409       273.1833 85.92781 36.88942 120.3284 40.32254 -34.40056      54.65104 
1 1 1 -7  0   31 o 166.9720 22.22026 748.9713       172.9794 402.9314       297.6819 925.3846       212.5470 108.6272 41.37269 183.3736 24.88597 -74.74640      48.28054 
1 1 1 -7  0   32 o 182.1268 19.90286 881.9656       170.4820 1158.962       311.5656 763.5894       203.6783 190.2215 35.56681 162.7141 27.13774 27.50743       44.73762 
1 1 1 -7  0   33 o 132.1856 25.99962 515.1227       158.4514 426.2977       309.5161 546.6690       184.4547 102.4622 41.22606 132.1920 29.88975 -29.72979      50.92136 
1 1 1 -7  0   34 o 159.9617 34.47192 894.1073       255.8459 860.0558       534.0101 904.2521       291.4763 109.1503 49.04595 151.4723 39.75548 -42.32204      63.13480 
1 1 1 -7  1   1  o 130.2294 9.563656 408.5316       59.12918 408.5316       59.12918 0.000000       0.000000 130.2294 9.563656 ?        ?        0.000000       9.563656 
1 1 1 -7  1   2  o 185.3650 6.936708 823.4825       61.36526 769.9396       88.32075 873.4535       85.32400 178.9339 10.36874 190.7162 9.386669 -11.78233      13.98643 
1 1 1 -7  1   3  o 506.7546 7.368552 6146.617       178.5206 6057.427       254.8257 6232.579       250.1711 502.7165 10.60258 509.9760 10.26075 -7.259521      14.75458 
1 1 1 -7  1   4  o 221.2293 8.186800 1173.355       86.44016 1194.714       155.4946 1163.803       103.9887 222.5250 14.69830 220.1768 9.904196 2.348145       17.72380 
1 1 1 -7  1   5  o 148.6458 8.184886 530.5909       57.94209 525.7894       92.70490 533.6691       74.22654 147.4186 13.29628 148.8607 10.49698 -1.442108      16.94042 
1 1 1 -7  1   6  o 246.7055 8.620715 1459.184       101.5226 1621.462       187.2076 1391.578       120.8335 259.3175 15.16642 240.7393 10.52404 18.57822       18.46012 
1 1 1 -7  1   7  o 486.9913 17.49508 5717.426       406.6672 5743.382       576.0308 5691.635       574.2022 486.0153 24.87335 483.8038 24.90874 2.211487       35.20126 
1 1 1 -7  1   8  o 230.6949 9.335922 1276.972       102.7556 1310.249       131.9479 1225.689       163.8002 233.4216 11.86259 225.2876 15.29864 8.134003       19.35896 
1 1 1 -7  1   9  o 389.6060 9.582976 3636.922       178.4984 3692.488       390.6379 3622.259       200.6734 390.3130 21.01149 388.5483 10.81332 1.764740       23.63071 
1 1 1 -7  1   10 o 174.6059 10.43009 733.4480       86.67052 663.5788       126.0875 796.0315       119.3326 165.2735 16.16374 181.5065 13.85651 -16.23300      21.29013 
1 1 1 -7  1   11 o 506.1036 10.19017 6140.623       246.5637 5845.457       610.1672 6198.227       269.5515 489.1920 26.18463 508.3365 11.09129 -19.14444      28.43680 
1 1 1 -7  1   12 o 405.5160 10.80240 3947.399       209.2424 3944.867       241.7298 3954.965       417.8761 405.1002 12.49623 403.3510 21.75031 1.749207       25.08449 
1 1 1 -7  1   13 o 104.1658 12.62646 264.4972       61.59815 322.1647       96.87223 225.3533       79.81142 114.0626 18.38949 95.02336 18.23109 19.03928       25.89490 
1 1 1 -7  1   14 o 83.37604 15.33438 172.8282       58.87285 114.7030       95.77632 208.1286       74.63900 70.75871 23.87646 91.25350 17.74750 -20.49479      29.74994 
1 1 1 -7  1   15 o 53.57550 22.00789 24.41688       90.38853 209.9388       175.9348 -42.11227      105.3562 94.71905 32.35571 49.06828 21.93659 45.65077       39.09100 
1 1 1 -7  1   16 o 500.7579 27.39364 6229.741       653.3240 6229.741       653.3240 0.000000       0.000000 500.7579 27.39364 ?        ?        0.000000       27.39364 
1 1 1 -7  1   17 o 224.1583 14.81276 1220.783       157.8548 1537.738       244.7335 994.9752       206.5684 249.9042 20.66851 200.2737 21.93231 49.63049       30.13659 
1 1 1 -7  1   18 f 231.6766 18.94408 1319.919       207.9978 1672.856       342.3338 1113.381       261.8786 256.8488 28.34925 209.7309 26.72346 47.11784       38.95925 
1 1 1 -7  1   19 o 539.9237 13.15733 7052.087       339.6320 6975.734       728.0022 7073.328       383.9787 524.3220 29.15681 539.6409 14.89737 -15.31891      32.74219 
1 1 1 -7  1   20 o 260.5836 15.16730 1656.010       188.1405 1841.458       283.8907 1510.772       251.2340 271.9337 22.02467 246.3719 21.54601 25.56178       30.81098 
1 1 1 -7  1   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  1   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  1   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  1   24 o 413.1385 17.04806 4206.184       336.0044 4517.802       493.4656 3936.820       458.7909 421.4724 24.59635 393.4418 24.51256 28.03061       34.72530 
1 1 1 -7  1   25 o 149.8463 23.89911 580.4862       165.4654 842.2247       402.3620 527.2133       181.5251 165.0284 48.07722 140.7994 27.95299 24.22903       55.61285 
1 1 1 -7  1   26 o 91.50970 28.23691 220.9520       135.8461 329.2465       245.5057 173.1629       163.0883 110.0803 38.19663 85.36652 30.97768 24.71375       49.17926 
1 1 1 -7  1   27 o 160.2103 26.21810 681.0829       193.8771 868.3702       270.7666 484.0338       277.7335 176.3394 33.33827 127.2464 40.53639 49.09301       52.48466 
1 1 1 -7  1   28 o 180.0952 22.05917 840.8500       185.9717 738.8653       482.9437 858.6058       201.5115 143.2100 53.08448 180.8348 23.89224 -37.62479      58.21341 
1 1 1 -7  1   29 o 142.5276 24.90874 545.8069       163.5550 254.5810       326.6620 643.2379       188.9435 101.5455 41.78881 153.8113 26.65986 -52.26578      49.56866 
1 1 1 -7  1   30 o 62.28912 28.96235 -104.0651      208.4201 -126.3355      316.8781 -87.08510      276.6930 74.97978 35.14085 72.45947 33.58078 2.520309       48.60605 
1 1 1 -7  1   31 o 49.11622 23.10707 -104.4519      139.2859 81.20387       285.6532 -162.3618      159.5369 81.01721 36.17719 49.48309 23.69044 31.53412       43.24380 
1 1 1 -7  1   32 o 45.57039 21.94635 -161.1566      141.5732 -561.9074      304.5044 -50.64141      159.9070 55.67795 27.81196 56.22994 25.86927 -0.5519943     37.98322 
1 1 1 -7  1   33 o 84.52450 35.90648 224.8728       252.9549 321.3266       532.5746 196.7749       287.4474 92.89563 44.14103 83.29997 36.79201 9.595657       57.46375 
1 1 1 -7  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  2   2  o 87.26781 7.124578 183.4718       29.46652 170.3815       41.26349 197.0936       42.09278 83.66122 10.55069 90.15842 9.929702 -6.497200      14.48848 
1 1 1 -7  2   3  o 87.64247 7.573004 185.2245       31.42054 154.7834       44.97857 214.2381       43.91136 79.41611 12.23911 94.04496 9.915423 -14.62885      15.75155 
1 1 1 -7  2   4  o 248.4758 7.105983 1478.809       84.32771 1474.119       120.9966 1483.239       117.5911 247.8160 10.23461 248.6143 9.913145 -0.7982941     14.24843 
1 1 1 -7  2   5  o 392.3007 7.274442 3683.509       136.4354 4127.450       199.4993 3293.437       187.0040 415.0317 10.05430 370.5406 10.56697 44.49109       14.58594 
1 1 1 -7  2   6  o 291.4390 12.23997 2041.300       170.1643 2057.758       242.1398 2025.241       239.1846 291.8144 17.43556 289.5049 17.36076 2.309540       24.60477 
1 1 1 -7  2   7  o 68.77168 17.44923 118.3004       57.45424 127.4915       75.98828 106.0332       87.78827 71.91471 20.87655 68.20769 22.85806 3.707024       30.95677 
1 1 1 -7  2   8  o 252.0258 9.730956 1524.288       117.0286 1373.629       180.5821 1633.380       153.6642 238.4160 15.93423 260.5967 12.36906 -22.18073      20.17160 
1 1 1 -7  2   9  o 458.7702 17.00027 5077.004       372.2267 4915.175       528.6354 5236.134       524.2087 449.1352 24.71428 463.9531 23.71180 -14.81790      34.24975 
1 1 1 -7  2   10 o 253.7068 12.35925 1548.930       149.4597 1521.335       218.3699 1573.250       204.9990 250.4276 18.36679 254.9651 16.91315 -4.537506      24.96785 
1 1 1 -7  2   11 o 275.2479 12.86454 1823.999       168.8198 1714.728       239.7100 1931.531       237.7959 265.7292 18.99381 282.3845 17.70295 -16.65536      25.96457 
1 1 1 -7  2   12 o 307.9189 13.56765 2284.640       199.2424 2384.920       289.9950 2194.979       274.2097 313.3222 19.45534 300.6072 19.17990 12.71494       27.31993 
1 1 1 -7  2   13 o 351.8268 11.13137 2975.630       186.9989 2936.476       294.5126 3002.078       242.0514 347.9976 17.76061 352.7288 14.38369 -4.731140      22.85454 
1 1 1 -7  2   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  2   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  2   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  2   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  2   18 o 153.5485 49.46425 667.3776       412.6923 667.3776       412.6923 0.000000       0.000000 153.5485 49.46425 ?        ?        0.000000       49.46425 
1 1 1 -7  2   19 o 356.3658 16.46736 3102.187       279.8032 3367.057       418.2289 2887.578       376.4615 366.9874 23.96832 340.1713 23.28854 26.81610       33.41910 
1 1 1 -7  2   20 o 323.1841 16.45852 2555.123       253.4643 2609.406       383.4428 2512.997       337.7876 321.8106 25.12143 317.4438 22.40094 4.366760       33.65841 
1 1 1 -7  2   21 o 85.41123 32.90081 143.9873       189.6826 167.6532       258.4591 116.3611       279.2489 95.28103 37.89574 92.81310 38.45866 2.467934       53.99218 
1 1 1 -7  2   22 o 129.4449 24.17318 432.9985       144.0984 560.0813       274.2527 384.5360       169.3598 141.1110 39.23556 119.9646 29.69079 21.14633       49.20337 
1 1 1 -7  2   23 o 251.2098 16.64178 1555.864       198.7420 1563.392       332.9600 1551.697       247.7093 244.4929 29.05247 248.6436 21.03521 -4.150726      35.86818 
1 1 1 -7  2   24 o 171.3364 29.91916 784.0415       236.1668 953.8575       473.3466 727.7584       272.5078 171.8680 52.65011 161.1422 36.25212 10.72583       63.92379 
1 1 1 -7  2   25 o 295.6707 17.94028 2170.147       252.4046 2678.232       506.0305 2001.872       291.2179 314.0730 34.25520 281.4615 21.81177 32.61154       40.61000 
1 1 1 -7  2   26 o 89.83655 29.23767 211.5453       143.9675 306.9616       294.3220 181.5347       165.0626 108.7374 41.20305 86.40177 31.19063 22.33562       51.67733 
1 1 1 -7  2   27 o 98.58004 34.97174 262.9649       206.5613 50.65863       307.3129 437.9303       278.9814 86.85914 38.21569 120.5980 40.75000 -33.73887      55.86593 
1 1 1 -7  2   28 o 65.80494 27.70357 45.94886       148.3593 300.7070       311.3032 -28.91647      168.7563 105.2976 41.68269 62.04147 27.74788 43.25611       50.07386 
1 1 1 -7  2   29 o 250.1938 23.46861 1649.851       277.4423 1343.460       565.4874 1746.985       318.3974 180.7166 57.87117 254.2501 26.58644 -73.53352      63.68604 
1 1 1 -7  2   30 o 102.0122 30.52557 308.6098       160.4230 333.2888       346.0498 301.8542       181.0535 103.7534 42.88530 100.0194 32.80291 3.734032       53.99241 
1 1 1 -7  2   31 o 120.4640 28.14233 429.6122       159.1386 849.4171       317.0212 288.1921       184.0010 152.9971 42.04743 95.64389 33.07390 57.35324       53.49644 
1 1 1 -7  2   32 o 88.01075 36.85228 234.7737       260.3317 -139.1105      542.7065 346.5190       296.6956 83.66621 40.90133 97.73302 39.97889 -14.06681      57.19467 
1 1 1 -7  2   33 o 146.9617 26.19149 651.2147       177.2744 -76.32838      343.6820 914.9549       206.9263 71.23511 34.27771 175.5984 25.38400 -104.3633      42.65335 
1 1 1 -7  3   1  o 144.6040 10.36623 503.6743       71.18993 0.000000       0.000000 503.6743       71.18993 ?        ?        144.6040 10.36623 0.000000       10.36623 
1 1 1 -7  3   2  o 456.9943 7.155914 4998.418       156.3451 0.000000       0.000000 4998.418       156.3451 ?        ?        456.9943 7.155914 0.000000       7.155914 
1 1 1 -7  3   3  o 303.9186 10.72875 2216.880       155.6442 0.000000       0.000000 2216.880       155.6442 ?        ?        303.9186 10.72875 0.000000       10.72875 
1 1 1 -7  3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3   10 o 74.80275 30.08364 68.04942       164.7370 68.04942       164.7370 0.000000       0.000000 74.80275 30.08364 ?        ?        0.000000       30.08364 
1 1 1 -7  3   11 o 278.4779 12.14970 1866.688       161.3683 1928.258       249.7400 1822.558       211.4325 281.7420 18.64568 274.4238 16.18731 7.318207       24.69191 
1 1 1 -7  3   12 o 270.0047 13.23933 1758.618       170.3803 1642.084       245.2844 1867.271       236.8454 259.3820 19.93255 277.2050 17.96808 -17.82297      26.83577 
1 1 1 -7  3   13 o 486.5034 11.85748 5692.321       275.7951 5396.074       580.8743 5778.540       313.3688 467.6056 26.08670 489.5844 13.40073 -21.97888      29.32738 
1 1 1 -7  3   14 o 37.31507 18.08332 -163.9575      99.89504 81.35298       242.5797 -214.0529      109.6214 87.39021 35.99231 37.10022 18.18818 50.29000       40.32687 
1 1 1 -7  3   15 o 225.0681 15.69006 1232.669       167.7717 787.2997       226.3972 1775.155       249.8649 175.9654 27.83632 269.0792 19.55651 -93.11380      34.01938 
1 1 1 -7  3   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3   17 o 178.3193 19.96985 789.4076       167.3270 735.4340       208.0356 888.3030       281.6016 169.6929 26.50938 183.7679 33.27698 -14.07500      42.54533 
1 1 1 -7  3   18 o 175.1952 18.09042 758.6367       149.3465 810.7446       214.2316 709.3701       208.3087 178.2643 25.89358 166.0179 27.18489 12.24641       37.54325 
1 1 1 -7  3   19 o 49.58031 22.86060 -88.55814      125.8545 -26.59338      179.9591 -147.8768      176.0747 66.45295 29.24057 56.54248 26.40027 9.910473       39.39524 
1 1 1 -7  3   20 o 303.9118 16.99010 2266.949       245.8779 1644.351       356.8570 2829.652       339.2578 251.5436 30.28214 337.2993 21.14445 -85.75574      36.93367 
1 1 1 -7  3   21 o 214.4937 19.24467 1143.887       195.2530 657.6908       343.2054 1376.553       237.4186 150.5331 44.55210 234.4068 21.42192 -83.87366      49.43468 
1 1 1 -7  3   22 o 274.4286 18.90044 1870.282       246.4615 1871.006       363.1887 1869.664       335.5484 268.0613 28.79000 269.7268 26.35688 -1.665497      39.03267 
1 1 1 -7  3   23 o 145.2501 26.69090 555.3007       178.5200 185.8065       347.1393 688.1531       208.1540 102.9988 42.79683 161.3878 27.99203 -58.38898      51.13826 
1 1 1 -7  3   24 o 538.2712 12.39714 7043.380       319.0298 6880.049       468.7992 7184.268       435.4021 526.1757 18.66535 539.5436 16.90018 -13.36792      25.17959 
1 1 1 -7  3   25 o 235.3788 17.11997 1375.706       191.3373 1449.412       280.1297 1311.247       261.9661 236.7019 25.13816 225.3157 24.72464 11.38615       35.25954 
1 1 1 -7  3   26 o 215.6978 20.63942 1183.579       210.2461 1303.312       276.3177 1018.947       324.0108 222.2477 26.52859 187.8497 37.39302 34.39806       45.84761 
1 1 1 -7  3   27 o 115.5733 26.83984 365.8923       145.4526 709.1341       241.1405 169.5870       182.3627 157.6456 33.05283 84.78876 32.36069 72.85684       46.25693 
1 1 1 -7  3   28 o 207.0806 18.21065 1089.324       178.4561 1305.032       285.1045 950.3710       228.8259 218.6379 27.91089 187.6140 26.22686 31.02393       38.29969 
1 1 1 -7  3   29 o 125.6987 28.59938 449.2470       167.9842 426.6114       257.1798 466.0905       221.8479 115.4844 39.12481 122.8666 35.67175 -7.382156      52.94548 
1 1 1 -7  3   30 o 74.57959 30.37246 120.6105       170.3168 62.47415       443.9422 130.6441       184.4294 90.08112 42.01355 76.90950 31.49740 13.17162       52.50928 
1 1 1 -7  3   31 o 176.3388 28.76202 921.8260       234.1296 1000.875       344.5344 854.0002       319.1403 162.8679 43.44695 150.8317 42.46593 12.03621       60.75354 
1 1 1 -7  3   32 o 134.4902 28.54434 556.7682       177.8499 187.8825       338.8010 697.0844       208.9550 85.01531 38.55118 148.7262 30.41406 -63.71090      49.10406 
1 1 1 -7  3   33 o 115.7433 37.30262 539.5383       234.6872 308.4732       347.6237 733.0575       318.1297 86.92905 39.27039 122.8573 43.41791 -35.92826      58.54296 
1 1 1 -7  4   1  o 981.2113 12.55452 23107.04       588.9402 0.000000       0.000000 23107.04       588.9402 ?        ?        981.2113 12.55452 0.000000       12.55452 
1 1 1 -7  4   2  o 246.4944 6.962208 1455.390       81.96474 0.000000       0.000000 1455.390       81.96474 ?        ?        246.4944 6.962208 0.000000       6.962208 
1 1 1 -7  4   3  f 531.6047 7.516543 6765.469       191.0360 6723.190       266.1797 6810.378       274.3365 529.5671 10.51346 532.9523 10.76680 -3.385254      15.04848 
1 1 1 -7  4   4  o 624.6724 7.888570 9343.437       235.5911 9353.382       328.5911 9332.916       337.9586 624.5129 11.00541 623.7684 11.33266 0.7445068      15.79709 
1 1 1 -7  4   5  o 185.5714 9.192332 827.1170       81.30014 834.8309       101.0520 812.9609       136.8916 186.1999 11.40634 183.1213 15.79022 3.078629       19.47911 
1 1 1 -7  4   6  o 324.5829 8.321609 2525.053       129.0277 2641.174       173.7714 2382.364       192.6274 331.6495 10.97461 314.6967 12.83007 16.95273       16.88351 
1 1 1 -7  4   7  o 243.3766 9.214682 1421.505       107.0243 1390.901       145.9601 1457.094       157.3965 240.3039 12.75036 245.8695 13.44117 -5.565582      18.52665 
1 1 1 -7  4   8  o 255.9965 9.630764 1573.320       117.6598 1510.624       161.6178 1644.021       171.6249 250.3034 13.55619 261.1127 13.79711 -10.80933      19.34245 
1 1 1 -7  4   9  o 201.5692 11.65912 978.9089       111.8770 1080.992       154.3984 866.0601       162.3359 211.2638 15.39215 188.4354 18.24765 22.82841       23.87247 
1 1 1 -7  4   10 o 174.9117 14.23803 741.5909       118.0342 700.0215       159.2462 792.2720       175.8351 168.7212 20.13918 179.4577 20.88412 -10.73648      29.01264 
1 1 1 -7  4   11 o 449.7978 9.378500 4853.862       201.6783 4569.583       277.6636 5171.322       293.4205 435.4187 13.35418 463.2515 13.26210 -27.83286      18.82067 
1 1 1 -7  4   12 o 144.5778 14.57512 509.4505       99.37092 464.1197       137.6935 558.7216       143.5530 136.2680 21.87547 150.1408 20.53653 -13.87277      30.00476 
1 1 1 -7  4   13 o 389.8940 15.53419 3683.580       288.9837 3583.372       408.6938 3783.780       408.6755 381.7368 22.49338 392.6005 21.85936 -10.86371      31.36533 
1 1 1 -7  4   14 o 179.3954 16.47068 787.1786       139.6887 908.2852       177.4415 589.7986       226.5285 191.9466 19.61129 150.1464 32.50146 41.80014       37.95981 
1 1 1 -7  4   15 o 507.5659 19.14027 6306.696       463.6285 6466.221       655.5447 6147.048       655.7950 508.0291 27.08808 494.6627 27.84243 13.36642       38.84540 
1 1 1 -7  4   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  4   17 o 291.2006 15.22398 2067.219       211.2116 2165.107       304.9196 1976.932       292.8430 295.0928 21.76636 281.8444 21.90473 13.24847       30.88028 
1 1 1 -7  4   18 o 307.7274 13.95327 2302.590       204.7477 2296.667       276.8750 2309.738       304.1582 305.1079 19.07658 304.9899 20.98754 0.1180420      28.36181 
1 1 1 -7  4   19 o 393.7382 14.16471 3772.136       266.2046 3830.831       449.4938 3740.429       330.3739 390.3099 24.20742 390.1283 17.75949 0.1816101      30.02330 
1 1 1 -7  4   20 o 272.7293 16.69805 1828.349       216.6801 1843.515       368.4982 1820.334       267.8851 266.4101 29.42139 270.0419 20.91242 -3.631775      36.09637 
1 1 1 -7  4   21 o 436.5883 15.85152 4672.534       330.3161 4489.365       426.4580 4947.218       522.2358 423.8874 21.10989 441.3907 24.84805 -17.50333      32.60449 
1 1 1 -7  4   22 o 269.5521 15.65988 1787.055       200.9396 1981.039       307.6292 1642.702       265.3733 279.2587 23.25238 254.9534 21.98606 24.30528       32.00094 
1 1 1 -7  4   23 o 216.0360 17.74661 1161.594       181.6802 910.7797       272.1080 1363.343       244.0458 183.0330 32.27501 231.5942 22.31725 -48.56122      39.23947 
1 1 1 -7  4   24 o 69.59256 30.29292 5.439261       188.5918 34.43203       232.4388 -50.41817      322.6297 78.51089 33.90414 84.02079 37.90591 -5.509895      50.85616 
1 1 1 -7  4   25 o 263.4450 17.20006 1727.795       215.4502 1528.548       322.3398 1888.688       289.6589 239.4658 28.72825 271.7354 22.49773 -32.26952      36.48918 
1 1 1 -7  4   26 o 94.83303 34.78477 236.8165       206.4442 121.2270       256.8549 447.7468       346.9751 86.73186 36.47928 120.4199 44.92641 -33.68808      57.87158 
1 1 1 -7  4   27 o 80.50710 30.82937 151.1762       165.8749 340.5549       262.0051 24.49531       214.2889 107.4176 39.22119 73.11797 32.04886 34.29959       50.65009 
1 1 1 -7  4   28 o 66.45698 30.49597 -71.57924      220.2632 -468.5661      276.3955 619.2792       364.6174 56.99683 28.12480 132.3939 46.50806 -75.39710      54.35075 
1 1 1 -7  4   29 o 73.18201 30.19685 101.8385       171.1728 -85.21154      280.2653 213.1229       216.1761 71.80704 33.45429 88.64513 34.84476 -16.83809      48.30473 
1 1 1 -7  4   30 o 83.44646 34.42947 183.2181       222.4976 191.1076       290.1199 171.9509       346.7060 87.24702 37.77748 88.47272 39.65551 -1.225700      54.76949 
1 1 1 -7  4   31 o 122.8443 29.13954 464.8789       168.5366 557.4089       302.0306 423.0393       203.0970 116.8803 42.19176 111.1575 34.56393 5.722740       54.54182 
1 1 1 -7  4   32 o 57.89872 28.38286 -259.7041      266.8281 -276.8254      504.6078 -253.0586      314.3752 73.88974 36.72953 62.68891 30.74690 11.20083       47.90020 
1 1 1 -7  5   1  o 467.5177 7.479882 5233.150       167.1865 0.000000       0.000000 5233.150       167.1865 ?        ?        467.5177 7.479882 0.000000       7.479882 
1 1 1 -7  5   2  o 113.3491 8.626212 309.5525       46.39517 0.000000       0.000000 309.5525       46.39517 ?        ?        113.3491 8.626212 0.000000       8.626212 
1 1 1 -7  5   3  o 247.7736 7.676602 1471.485       90.82556 0.000000       0.000000 1471.485       90.82556 ?        ?        247.7736 7.676602 0.000000       7.676602 
1 1 1 -7  5   4  f 346.6423 7.553570 2877.340       125.1821 2757.387       167.5322 3028.975       188.3611 338.9270 10.35126 355.1317 11.10779 -16.20465      15.18327 
1 1 1 -7  5   5  o 274.3140 8.355160 1804.374       109.4472 1792.661       145.1212 1819.824       166.6700 273.0915 11.13849 274.9277 12.71476 -1.836182      16.90359 
1 1 1 -7  5   6  o 263.6382 8.349063 1666.961       105.1009 1693.255       139.5456 1632.493       159.7689 265.3895 11.02225 260.3034 12.87818 5.086029       16.95104 
1 1 1 -7  5   7  o 390.5753 8.103875 3655.043       151.3233 3764.970       205.5039 3524.843       223.6532 395.8929 10.86788 382.7977 12.23646 13.09521       16.36587 
1 1 1 -7  5   8  o 209.4059 11.42228 1056.530       113.9207 1085.119       142.0515 1005.003       190.7044 211.7968 14.10917 202.5760 19.94942 9.220810       24.43457 
1 1 1 -7  5   9  o 276.6502 10.68830 1840.937       141.1010 1869.179       173.7230 1786.187       241.8790 278.3389 13.09163 270.7441 18.80346 7.594757       22.91202 
1 1 1 -7  5   10 o 408.8459 15.40287 4044.139       300.5331 3697.588       419.5635 4409.315       430.6909 388.1794 22.70687 424.6558 21.28171 -36.47638      31.12095 
1 1 1 -7  5   11 f 361.9453 11.99871 3157.201       207.3409 3493.744       368.6884 3001.531       250.7501 377.8915 20.48380 352.1139 14.92919 25.77759       25.34693 
1 1 1 -7  5   12 o 144.2585 15.81529 509.9175       107.2894 571.0604       129.3618 375.1764       192.0365 152.2066 18.13340 119.8534 32.63960 32.35317       37.33850 
1 1 1 -7  5   13 o 262.2698 12.69556 1663.758       158.7145 1842.713       218.1494 1462.501       231.3437 274.9062 16.67665 243.7023 20.03261 31.20393       26.06561 
1 1 1 -7  5   14 o 319.9344 14.03580 2482.803       214.1648 2238.845       301.1795 2732.332       304.5989 301.0423 21.05898 333.5972 19.17927 -32.55496      28.48377 
1 1 1 -7  5   15 o 273.5733 15.01058 1822.906       195.5745 2027.020       266.9366 1586.364       287.3593 286.6973 19.59270 251.4098 24.20641 35.28757       31.14199 
1 1 1 -7  5   16 o 202.5335 16.72212 1007.682       160.4771 949.9421       220.8651 1072.253       233.5649 193.7145 24.38753 206.0595 24.16736 -12.34502      34.33385 
1 1 1 -7  5   17 o 105.7827 36.35294 283.5315       222.1727 194.2694       305.2623 384.0700       323.9709 102.4428 41.03698 121.7861 43.73116 -19.34332      59.97039 
1 1 1 -7  5   18 o 305.1804 17.13420 2288.125       248.9897 2388.488       348.4649 2183.433       355.9020 307.9967 23.85061 293.2604 25.64220 14.73636       35.01962 
1 1 1 -7  5   19 o 437.9401 17.71420 4721.412       370.1243 5320.581       525.4316 4131.265       521.4605 459.4617 24.00309 401.6792 27.31653 57.78253       36.36401 
1 1 1 -7  5   20 o 499.8561 14.72815 6104.058       351.5829 6307.110       428.9698 5688.535       613.6483 505.6397 17.77268 470.2498 27.41384 35.38995       32.67089 
1 1 1 -7  5   21 o 354.9998 14.71093 3086.519       249.1349 2700.605       389.9962 3352.577       323.8203 324.4702 25.34156 367.4854 18.49070 -43.01520      31.37038 
1 1 1 -7  5   22 o 260.4336 16.03642 1673.914       198.7016 1258.279       299.1611 2002.019       265.8007 217.6394 29.51105 282.6363 19.79587 -64.99689      35.53559 
1 1 1 -7  5   23 o 80.09550 29.72552 144.6435       151.5173 -313.0061      371.7021 235.8417       165.9287 77.35430 36.79061 94.69189 31.41838 -17.33759      48.38041 
1 1 1 -7  5   24 o 353.1344 15.66263 3078.172       263.7736 3221.436       407.9992 2975.291       345.7469 353.5992 24.28198 342.7127 21.20568 10.88651       32.23810 
1 1 1 -7  5   25 o 103.1607 28.82029 295.2140       147.5951 262.6542       242.8908 314.2750       185.8419 99.61182 37.50020 105.2351 33.11387 -5.623260      50.02793 
1 1 1 -7  5   26 o 150.8163 29.70105 635.9562       206.5310 832.4134       261.9061 312.9038       335.8521 169.9681 33.42239 106.7103 42.94107 63.25777       54.41500 
1 1 1 -7  5   27 o 209.4171 19.84201 1130.112       196.2885 1390.923       297.2840 928.5247       261.3605 224.5948 28.31413 180.3535 31.45468 44.24138       42.32124 
1 1 1 -7  5   28 f 102.3210 31.98885 313.0891       173.7102 323.8492       269.2761 305.4194       227.3403 102.4272 39.26590 100.2027 36.54264 2.224533       53.63931 
1 1 1 -7  5   29 o 125.3987 30.57265 479.3384       181.6059 599.6823       282.6742 394.7545       236.9837 128.4352 40.89312 107.4799 37.51360 20.95536       55.49340 
1 1 1 -7  5   30 o 90.70958 32.91752 264.5588       184.1550 333.2655       291.3866 218.8652       237.6280 96.66870 39.59032 86.01669 35.54424 10.65201       53.20513 
1 1 1 -7  5   31 o 137.0815 36.68521 681.9595       245.1521 877.7744       314.2783 377.6410       391.7921 146.2032 42.46048 94.50516 42.27235 51.69803       59.91531 
1 1 1 -7  5   32 o 69.00805 30.07371 113.1330       186.3338 -270.7328      305.7167 340.0209       235.0363 59.92780 29.57256 90.76482 36.12530 -30.83702      46.68591 
1 1 1 -7  6   1  o 520.2560 7.491553 6482.420       186.3363 0.000000       0.000000 6482.420       186.3363 ?        ?        520.2560 7.491553 0.000000       7.491553 
1 1 1 -7  6   2  o 164.0081 8.049618 645.9828       62.92456 0.000000       0.000000 645.9828       62.92456 ?        ?        164.0081 8.049618 0.000000       8.049618 
1 1 1 -7  6   3  o 698.4019 10.54811 11706.29       352.1992 0.000000       0.000000 11706.29       352.1992 ?        ?        698.4019 10.54811 0.000000       10.54811 
1 1 1 -7  6   4  o 224.5150 6.402065 1207.776       68.64835 1221.278       112.1640 1199.689       86.80540 225.3327 10.44006 223.6006 8.133728 1.732040       13.23452 
1 1 1 -7  6   5  o 236.8707 8.479500 1346.735       95.87132 1272.164       120.6184 1474.670       157.9871 229.8834 11.00680 247.1420 13.42145 -17.25858      17.35756 
1 1 1 -7  6   6  o 187.7874 9.444544 848.2300       84.51997 891.2161       105.4585 771.0338       141.3239 192.2127 11.52901 177.7797 16.82772 14.43297       20.39829 
1 1 1 -7  6   7  o 283.7763 10.61394 1937.288       143.7457 1693.813       218.5382 2122.957       190.8398 263.8681 17.42083 296.5138 13.49758 -32.64572      22.03792 
1 1 1 -7  6   8  o 290.3211 9.007761 2024.483       124.8757 2033.281       161.2693 2011.309       197.3443 290.4897 11.63569 288.3160 14.36206 2.173737       18.48400 
1 1 1 -7  6   9  o 270.4395 11.44158 1763.007       147.5986 1914.256       226.3892 1651.185       194.6578 280.4522 16.96383 260.7427 15.68790 19.70953       23.10588 
1 1 1 -7  6   10 o 554.3592 10.91452 7394.014       289.2706 7414.770       314.9426 7282.045       731.4935 554.8075 11.87355 539.4651 28.46284 15.34235       30.84014 
1 1 1 -7  6   11 o 177.0401 14.62448 763.7046       122.6797 847.0956       144.4582 547.9796       232.3447 186.0784 16.40604 143.8205 34.27866 42.25795       38.00243 
1 1 1 -7  6   12 o 120.7706 16.30093 360.6706       91.71908 313.2088       113.5728 449.6659       155.5197 110.8954 22.19679 132.4069 25.49275 -21.51147      33.80204 
1 1 1 -7  6   13 o 37.17060 17.50099 -84.59959      80.18025 41.18084       94.59635 -405.5344      151.1041 56.79063 22.81162 38.83591 19.42806 17.95472       29.96364 
1 1 1 -7  6   14 o 166.2544 16.36982 680.0299       128.4285 409.5628       201.1425 866.1828       166.8713 123.6713 33.28849 186.9933 18.92613 -63.32197      38.29258 
1 1 1 -7  6   15 o 201.1364 23.44817 1020.333       221.2560 0.000000       0.000000 1020.333       221.2560 ?        ?        201.1364 23.44817 0.000000       23.44817 
1 1 1 -7  6   16 o 174.3541 16.66879 749.4388       137.2559 702.2568       184.6779 807.6615       205.1505 166.0949 23.94777 177.9591 24.78413 -11.86412      34.46373 
1 1 1 -7  6   17 o 268.9339 14.72316 1766.584       188.5797 1786.322       260.9905 1745.022       272.7842 267.7706 20.54391 263.9680 21.80967 3.802612       29.96187 
1 1 1 -7  6   18 o 453.9120 17.90214 5078.139       387.7327 4898.781       541.9073 5266.268       555.0006 438.6167 25.95840 455.1870 25.60648 -16.57028      36.46273 
1 1 1 -7  6   19 o 154.9660 19.69655 604.6086       142.6342 401.4514       188.5475 876.4242       218.0930 121.2884 32.04210 184.2181 25.44137 -62.92973      40.91405 
1 1 1 -7  6   20 o 87.27906 34.78078 143.6815       218.1299 360.5755       286.9528 -153.1997      335.7206 115.1277 41.17866 80.45834 37.18304 34.66937       55.48207 
1 1 1 -7  6   21 o 221.8838 16.60193 1219.999       174.8366 1241.216       238.8954 1195.527       256.5613 220.3192 23.01949 214.6428 25.49927 5.676392       34.35273 
1 1 1 -7  6   22 o 236.0016 19.19643 1396.715       214.7238 1600.076       352.3783 1276.606       270.8093 244.1682 30.87558 221.2773 26.10034 22.89098       40.42931 
1 1 1 -7  6   23 o 385.4953 16.87992 3686.947       310.3443 3805.088       448.0973 3578.038       430.2339 383.9701 24.53835 372.5828 24.28548 11.38730       34.52412 
1 1 1 -7  6   24 o 127.5437 31.20715 459.7041       188.7093 204.4291       238.3278 888.7324       308.9680 93.08340 36.58738 172.6249 38.42574 -79.54150      53.05821 
1 1 1 -7  6   25 o 94.90133 31.74193 251.1655       169.2972 403.9870       401.5854 218.1354       186.6984 115.4373 46.77558 90.74006 33.11189 24.69720       57.30927 
1 1 1 -7  6   26 o 112.4067 28.85910 359.4520       155.8740 694.6559       255.0028 159.4909       196.9532 151.6214 35.76223 83.49810 33.12234 68.12331       48.74450 
1 1 1 -7  6   27 o 279.4400 18.72229 2006.457       248.6812 2597.456       351.8443 1416.506       351.5325 311.5848 23.79934 216.9414 35.09084 94.64342       42.40018 
1 1 1 -7  6   28 o 129.0008 28.14264 487.7839       168.6725 653.2577       278.2686 391.6730       212.0732 136.2738 40.06029 109.1220 35.48365 27.15173       53.51557 
1 1 1 -7  6   29 o 99.07347 36.29650 340.2228       224.6725 323.4237       283.4761 368.6014       368.4418 96.04881 39.15842 99.04593 42.72840 -2.997124      57.95773 
1 1 1 -7  6   30 o 167.2333 31.12654 889.6635       239.7080 1304.210       503.5367 768.1891       272.5754 148.8223 54.36754 143.7189 38.78008 5.103378       66.78117 
1 1 1 -7  6   31 o 78.23960 33.26482 197.4330       217.4208 339.8190       500.5485 164.3212       241.3811 87.45101 41.89330 76.17849 33.67777 11.27252       53.75166 
1 1 1 -7  7   1  o 83.26921 9.456244 168.5131       36.97946 0.000000       0.000000 168.5131       36.97946 ?        ?        83.26921 9.456244 0.000000       9.456244 
1 1 1 -7  7   2  o 222.9743 8.034145 1193.444       85.50518 0.000000       0.000000 1193.444       85.50518 ?        ?        222.9743 8.034145 0.000000       8.034145 
1 1 1 -7  7   3  f 47.01137 12.83669 54.93426       29.65695 0.000000       0.000000 54.93426       29.65695 ?        ?        47.01137 12.83669 0.000000       12.83669 
1 1 1 -7  7   4  o 65.43092 11.08994 105.7436       33.45363 0.000000       0.000000 105.7436       33.45363 ?        ?        65.43092 11.08994 0.000000       11.08994 
1 1 1 -7  7   5  o 173.3782 7.069243 721.5410       58.47415 820.6139       99.41321 669.1331       72.30450 184.3510 11.33431 166.7191 9.105914 17.63187       14.53906 
1 1 1 -7  7   6  o 442.2284 8.189473 4691.223       173.1454 5025.055       230.0991 4255.452       262.8940 457.1738 10.52750 419.8482 13.11332 37.32556       16.81629 
1 1 1 -7  7   7  o 231.0907 9.531127 1285.090       105.0756 1378.507       127.7505 1089.720       184.7466 239.0587 11.20884 210.7653 18.52270 28.29335       21.65014 
1 1 1 -7  7   8  o 166.8240 12.60278 675.1534       99.77213 728.8718       122.6106 569.8669       171.6537 172.8634 14.98383 149.9532 24.81043 22.91023       28.98400 
1 1 1 -7  7   9  o 504.8495 8.541726 6120.347       206.1655 6171.163       273.8711 6053.891       313.1933 506.0742 11.31941 500.4028 13.10262 5.671387       17.31495 
1 1 1 -7  7   10 o 232.6012 11.94648 1308.952       132.4045 1265.432       175.4619 1366.507       201.7811 227.5410 16.23595 235.9068 18.02743 -8.365768      24.26096 
1 1 1 -7  7   11 o 243.6414 11.01168 1434.070       127.9349 1519.477       163.7720 1300.351       204.9221 250.0816 13.75068 229.6440 18.83012 20.43764       23.31640 
1 1 1 -7  7   12 f 390.8347 12.00986 3694.433       224.1423 3632.895       397.3689 3723.149       271.4475 382.4927 21.82066 391.2980 14.53535 -8.805298      26.21865 
1 1 1 -7  7   13 o 396.8848 16.03126 3847.068       303.5609 3923.951       420.3276 3763.250       438.8725 396.9850 22.23538 387.6288 23.79645 9.356262       32.56813 
1 1 1 -7  7   14 o 131.0372 22.27834 437.3795       134.5769 331.6208       234.4957 489.3191       164.3335 112.3595 37.35215 137.4071 25.96672 -25.04755      45.49125 
1 1 1 -7  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  7   16 o 191.1509 23.19058 927.3438       207.6023 1284.076       294.2033 573.5522       292.9884 222.4121 28.30881 141.9544 40.92876 80.45773       49.76497 
1 1 1 -7  7   17 o 408.7080 12.96039 4061.826       252.9242 4338.707       344.9898 3740.062       371.9021 419.7201 17.22909 387.5510 20.14115 32.16910       26.50486 
1 1 1 -7  7   18 o 267.4753 15.95544 1761.329       203.1058 1636.560       257.0652 1968.613       331.3390 254.9326 21.28569 276.9436 25.30421 -22.01103      33.06635 
1 1 1 -7  7   19 f 338.2214 21.82522 2889.503       351.0292 0.000000       0.000000 2889.503       351.0292 ?        ?        338.2214 21.82522 0.000000       21.82522 
1 1 1 -7  7   20 o 293.8265 17.13495 2140.872       239.6588 2321.773       316.3809 1897.314       367.1053 302.5434 22.02413 267.6586 29.15893 34.88480       36.54184 
1 1 1 -7  7   21 o 217.2021 16.95923 1172.977       174.7127 1254.196       232.8602 1068.368       264.2721 221.6292 22.27847 200.5531 28.35194 21.07602       36.05777 
1 1 1 -7  7   22 o 52.40234 24.06209 -77.47910      137.4304 -68.23264      177.4890 -91.32261      217.1734 61.17577 27.80474 66.35627 30.38690 -5.180500      41.18819 
1 1 1 -7  7   23 o 387.5121 16.03442 3735.969       296.4200 3593.634       385.9435 3940.696       462.8657 374.0602 21.67394 387.1939 25.14042 -13.13379      33.19337 
1 1 1 -7  7   24 f 97.98489 33.08997 272.2125       183.9550 293.9375       209.4536 198.9259       384.6980 101.1718 35.27030 100.3326 43.47233 0.8392181      55.98069 
1 1 1 -7  7   25 o 258.9317 17.49700 1698.981       215.3273 1860.489       300.0377 1527.451       309.2070 264.6293 23.97523 235.4535 28.01740 29.17577       36.87528 
1 1 1 -7  7   26 o 105.1268 32.56139 332.3870       180.4429 262.4534       371.9065 353.9180       206.3590 100.2700 43.08897 107.0826 35.01457 -6.812614      55.52188 
1 1 1 -7  7   27 o 52.90527 24.46825 -67.72313      145.7825 150.1626       221.1431 -235.1856      193.8732 81.07626 33.95820 51.72614 25.09648 29.35012       42.22550 
1 1 1 -7  7   28 o 94.09618 34.20610 293.1742       198.9727 143.7765       245.2146 581.1322       340.4387 79.96741 34.67784 116.5880 44.28217 -36.62054      56.24467 
1 1 1 -7  7   29 o 74.47936 31.12245 139.1370       185.0999 -130.2446      424.1715 202.5008       205.7209 75.95414 36.91379 81.83978 33.36112 -5.885643      49.75532 
1 1 1 -7  7   30 o 76.50368 31.93885 182.0318       194.6714 440.7978       435.6402 117.4670       217.6067 92.21076 42.52226 71.80019 31.84728 20.41058       53.12619 
1 1 1 -7  8   1  o 133.0051 9.325672 426.9836       58.92448 0.000000       0.000000 426.9836       58.92448 ?        ?        133.0051 9.325672 0.000000       9.325672 
1 1 1 -7  8   2  o 162.4053 8.578216 634.8707       66.36858 0.000000       0.000000 634.8707       66.36858 ?        ?        162.4053 8.578216 0.000000       8.578216 
1 1 1 -7  8   3  o 313.8813 7.612873 2363.075       114.2411 0.000000       0.000000 2363.075       114.2411 ?        ?        313.8813 7.612873 0.000000       7.612873 
1 1 1 -7  8   4  o 38.64947 14.33293 28.07903       35.21448 0.000000       0.000000 28.07903       35.21448 ?        ?        38.64947 14.33293 0.000000       14.33293 
1 1 1 -7  8   5  o 183.6064 8.489259 811.1861       74.31713 0.000000       0.000000 811.1861       74.31713 ?        ?        183.6064 8.489259 0.000000       8.489259 
1 1 1 -7  8   6  o 176.1485 7.501792 745.7689       63.03136 628.6125       107.7251 806.7585       77.72519 160.5135 14.18353 183.0234 8.909506 -22.50990      16.74968 
1 1 1 -7  8   7  o 96.17340 16.69195 231.4064       73.96658 177.3619       83.44549 429.5709       159.7865 83.30658 20.96960 128.7851 26.82401 -45.47849      34.04779 
1 1 1 -7  8   8  o 187.5641 11.48477 851.9641       102.4928 924.3374       133.5460 748.2411       159.8744 194.6842 14.45106 173.5459 19.61208 21.13835       24.36118 
1 1 1 -7  8   9  o 245.9768 10.59009 1461.038       124.2463 1492.385       154.2141 1403.048       209.7485 247.9630 13.05454 238.5714 18.53490 9.391541       22.67076 
1 1 1 -7  8   10 o 32.53110 15.24810 -59.30785      59.69061 -81.83050      71.12719 -5.670367      109.7641 34.37558 16.27478 53.83015 23.27240 -19.45457      28.39847 
1 1 1 -7  8   11 o 197.3746 12.07188 945.4568       113.3684 841.3293       145.5721 1105.946       180.7248 184.8728 16.64827 211.6577 18.03127 -26.78490      24.54163 
1 1 1 -7  8   12 o 253.3586 13.00097 1559.744       156.9513 1581.317       207.3190 1530.779       240.2239 253.5815 17.20250 248.0644 20.43663 5.517166       26.71296 
1 1 1 -7  8   13 o 160.1455 14.22315 628.4599       107.7663 625.2276       128.4462 636.1445       198.0513 158.8476 17.18687 156.1922 27.52766 2.655365       32.45244 
1 1 1 -7  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  8   15 o 304.6082 13.19541 2259.107       191.7085 2293.519       248.3343 2208.353       301.5946 305.0569 17.09576 296.8159 21.39698 8.240997       27.38788 
1 1 1 -7  8   16 o 401.2517 16.36034 3960.915       313.1886 4113.009       437.4470 3800.970       448.5945 403.6150 22.76216 386.4299 24.40614 17.18506       33.37327 
1 1 1 -7  8   17 o 291.8671 14.50369 2088.240       201.7481 2447.629       286.4324 1734.405       284.2103 313.1608 19.22403 261.0257 23.00979 52.13510       29.98356 
1 1 1 -7  8   18 o 175.1173 20.14027 775.9214       165.5510 843.1736       298.3914 746.0142       198.9853 172.0765 37.34524 169.0108 25.41210 3.065704       45.17125 
1 1 1 -7  8   19 o 245.8198 15.88733 1493.362       185.7137 1485.865       259.7614 1501.200       265.6140 241.1053 22.80616 242.0612 23.23690 -0.9559937     32.55878 
1 1 1 -7  8   20 o 159.4621 25.12072 667.4534       185.1830 879.4586       332.7259 572.3104       222.8957 171.8970 41.05299 142.8392 33.26250 29.05780       52.83693 
1 1 1 -7  8   21 o 323.5003 16.38885 2600.457       252.6472 2440.979       356.0543 2762.180       358.5529 306.3294 24.51640 327.4696 23.04926 -21.14014      33.65000 
1 1 1 -7  8   22 o 84.97308 28.68320 191.8825       138.2209 66.33038       185.9957 346.7415       206.5662 73.38298 30.96336 108.9406 34.98587 -35.55761      46.71981 
1 1 1 -7  8   23 o 130.8327 26.25109 469.5046       158.4843 367.3149       204.1405 624.5369       251.4414 111.0259 34.67282 143.2931 36.58223 -32.26720      50.40302 
1 1 1 -7  8   24 o 88.44935 33.91132 203.2680       200.8583 375.3179       335.5292 107.1772       250.7517 109.5946 43.30865 82.85323 35.48862 26.74133       55.99180 
1 1 1 -7  8   25 o 103.4748 33.67812 327.2692       191.0169 392.1907       214.8410 82.28434       417.3428 111.4940 35.66707 91.74755 42.05537 19.74643       55.14340 
1 1 1 -7  8   26 o 120.7434 40.61338 531.5991       277.1182 526.0251       367.1132 538.9822       422.5079 114.1728 45.24317 113.1280 47.12717 1.044823       65.32928 
1 1 1 -7  8   27 o 104.5701 31.96036 356.6981       174.5521 354.3447       236.1708 359.5313       259.1317 99.75032 37.09431 99.41641 38.41273 0.3339081      53.39968 
1 1 1 -7  8   28 o 70.85068 29.18137 122.5279       159.4653 97.66758       234.5026 143.9125       217.4927 73.98132 32.92332 76.58038 32.93061 -2.599052      46.56576 
1 1 1 -7  8   29 o 87.47463 37.25566 309.5360       273.5403 -280.3050      417.9590 751.4756       361.7825 67.91763 33.70408 116.6440 45.30051 -48.72636      56.46327 
1 1 1 -7  8   30 o 92.60349 31.80608 325.8419       170.0647 574.6145       261.6133 143.7799       223.8042 109.8909 39.31701 71.62852 32.00085 38.26241       50.69400 
1 1 1 -7  9   1  o 172.6343 8.983354 718.3199       73.88857 0.000000       0.000000 718.3199       73.88857 ?        ?        172.6343 8.983354 0.000000       8.983354 
1 1 1 -7  9   2  o 210.9230 8.377179 1070.398       84.30733 0.000000       0.000000 1070.398       84.30733 ?        ?        210.9230 8.377179 0.000000       8.377179 
1 1 1 -7  9   3  o 148.1245 9.222783 529.6889       64.98859 0.000000       0.000000 529.6889       64.98859 ?        ?        148.1245 9.222783 0.000000       9.222783 
1 1 1 -7  9   4  f 86.85260 11.85320 185.4281       47.93533 0.000000       0.000000 185.4281       47.93533 ?        ?        86.85260 11.85320 0.000000       11.85320 
1 1 1 -7  9   5  o 259.4329 8.565820 1619.462       106.0978 0.000000       0.000000 1619.462       106.0978 ?        ?        259.4329 8.565820 0.000000       8.565820 
1 1 1 -7  9   6  o 217.1268 8.710706 1135.272       90.23866 0.000000       0.000000 1135.272       90.23866 ?        ?        217.1268 8.710706 0.000000       8.710706 
1 1 1 -7  9   7  o 82.43193 11.21682 166.9462       43.05949 280.6371       88.26846 131.4418       49.32687 105.6224 18.13288 72.27320 14.77489 33.34920       23.39014 
1 1 1 -7  9   8  o 419.1811 7.194505 4217.764       144.1820 4139.415       224.2728 4272.958       188.2366 413.8481 11.34586 421.3163 9.345174 -7.468292      14.69901 
1 1 1 -7  9   9  f 344.9299 12.30099 2883.131       202.5272 2867.046       318.4568 2894.054       262.4367 340.4198 19.65065 343.9795 16.00204 -3.559692      25.34193 
1 1 1 -7  9   10 f 56.89209 22.31799 51.19396       88.52937 -15.82380      98.67854 327.6400       200.4163 49.72466 21.77295 110.7637 34.31771 -61.03907      40.64194 
1 1 1 -7  9   11 o 266.6227 11.79758 1723.788       150.0105 1928.796       192.0632 1403.087       240.2199 281.1260 14.33743 236.5707 21.47296 44.55531       25.81956 
1 1 1 -7  9   12 o 177.3924 14.92459 772.8786       125.4016 899.4587       174.3722 637.2839       180.4745 189.7559 19.49801 157.2445 24.82984 32.51137       31.57045 
1 1 1 -7  9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  9   14 o 144.6347 23.84708 541.0320       159.1563 331.6768       265.8711 657.9525       198.6893 111.5616 39.66604 158.1161 27.26861 -46.55453      48.13494 
1 1 1 -7  9   15 o 77.33021 28.11410 136.8879       134.4156 104.1802       148.4908 285.2944       316.3010 74.29667 28.97461 108.6156 42.30818 -34.31896      51.27875 
1 1 1 -7  9   16 o 235.6922 14.05557 1362.743       157.6613 1412.362       198.4888 1277.919       259.5183 238.2844 17.54643 222.3282 24.83940 15.95616       30.41173 
1 1 1 -7  9   17 o 95.65243 26.82258 244.9150       127.5894 350.7639       188.4682 155.3614       173.3551 112.3529 32.95250 83.58926 31.63364 28.76364       45.67882 
1 1 1 -7  9   18 o 311.1292 13.87917 2373.354       205.9293 2362.159       268.7845 2389.263       320.4319 307.5328 18.36484 306.4616 22.01684 1.071167       28.67069 
1 1 1 -7  9   19 o 68.43541 25.40090 102.4271       110.6427 241.2474       143.5963 -100.4136      173.5778 94.38021 29.01493 58.03844 26.79151 36.34177       39.49242 
1 1 1 -7  9   20 o 115.8151 27.09953 368.3090       147.3722 472.2520       164.9823 -42.10044      327.8296 131.5062 27.14145 82.68904 37.66264 48.81714       46.42340 
1 1 1 -7  9   21 o 195.6656 21.68871 995.8843       199.4848 1095.309       237.3544 756.7179       368.1298 202.6844 25.02544 148.4846 46.58931 54.19980       52.88513 
1 1 1 -7  9   22 o 62.78252 29.51256 -148.3370      226.4035 -238.7385      290.1248 -7.549835      362.0582 67.25285 32.12982 85.77742 39.26339 -18.52457      50.73400 
1 1 1 -7  9   23 o 71.86623 30.75593 61.47028       188.0337 247.8982       366.4200 -5.172895      219.0794 99.91877 42.85114 70.34203 31.52629 29.57674       53.19894 
1 1 1 -7  9   24 o 93.22610 31.26811 258.4357       164.2677 95.85756       233.2537 418.4081       231.3768 78.38549 33.90695 112.9104 37.08531 -34.52486      50.24939 
1 1 1 -7  9   25 o 206.0913 21.44093 1149.585       208.1726 1123.765       283.6284 1179.737       306.5011 190.8682 32.22830 192.4492 34.58368 -1.580933      47.27255 
1 1 1 -7  9   26 o 70.60225 30.19327 95.96567       180.9799 164.6336       248.5624 18.48840       264.0255 81.02602 35.02549 72.17902 33.21924 8.847000       48.27321 
1 1 1 -7  9   27 o 162.4539 29.89784 832.4606       223.6546 815.2348       255.3666 889.1831       463.3963 152.5246 35.66148 121.5541 49.87043 30.97050       61.30906 
1 1 1 -7  9   28 o 78.57071 33.08760 207.9255       211.7269 265.3708       239.1931 -0.1010297E-03 455.0672 83.67854 35.19936 75.94462 37.19536 7.733917       51.21025 
1 1 1 -7  10  1  f 137.8875 10.32358 460.7790       67.56148 0.000000       0.000000 460.7790       67.56148 ?        ?        137.8875 10.32358 0.000000       10.32358 
1 1 1 -7  10  2  o 467.2179 9.549985 5255.883       213.3195 0.000000       0.000000 5255.883       213.3195 ?        ?        467.2179 9.549985 0.000000       9.549985 
1 1 1 -7  10  3  o 317.1906 8.094116 2419.257       122.6431 0.000000       0.000000 2419.257       122.6431 ?        ?        317.1906 8.094116 0.000000       8.094116 
1 1 1 -7  10  4  o 350.8245 8.286398 2958.703       138.9838 0.000000       0.000000 2958.703       138.9838 ?        ?        350.8245 8.286398 0.000000       8.286398 
1 1 1 -7  10  5  o 328.9403 8.292980 2603.079       130.3136 0.000000       0.000000 2603.079       130.3136 ?        ?        328.9403 8.292980 0.000000       8.292980 
1 1 1 -7  10  6  o 170.5236 9.538253 702.7020       77.45104 0.000000       0.000000 702.7020       77.45104 ?        ?        170.5236 9.538253 0.000000       9.538253 
1 1 1 -7  10  7  o 297.8260 9.068869 2137.733       128.9787 0.000000       0.000000 2137.733       128.9787 ?        ?        297.8260 9.068869 0.000000       9.068869 
1 1 1 -7  10  8  o 149.6921 9.952745 542.7928       70.82337 478.3059       117.7981 579.2993       88.63131 138.2861 18.26377 154.1877 12.12084 -15.90155      21.91985 
1 1 1 -7  10  9  o 172.0299 8.257873 713.5818       67.71898 799.1990       124.7897 677.8448       80.62270 180.4957 14.58530 167.2903 10.12785 13.20538       17.75681 
1 1 1 -7  10  10 o 266.2935 10.83043 1717.551       137.5966 1764.968       165.3038 1610.582       248.2818 269.2271 12.88003 253.5256 20.66303 15.70158       24.34864 
1 1 1 -7  10  11 o 195.9848 12.08861 935.4415       112.7167 1080.828       136.8849 629.2372       198.6545 210.1830 13.69688 154.2500 27.96756 55.93304       31.14143 
1 1 1 -7  10  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  10  13 o 148.7032 21.12071 564.4165       145.9358 557.0920       176.0102 580.5275       261.0412 145.3108 26.30375 142.1217 37.77483 3.189117       46.03070 
1 1 1 -7  10  14 o 161.4937 17.16168 651.3218       130.4759 592.6280       184.3670 710.2119       184.6749 149.5629 26.76689 165.4978 24.04321 -15.93495      35.97975 
1 1 1 -7  10  15 o 199.8370 21.87390 1018.760       205.5727 1423.171       278.9628 538.1522       304.1095 234.1683 25.32004 134.1463 42.37948 100.0219       49.36724 
1 1 1 -7  10  16 o 86.06346 27.65087 193.7404       129.0205 351.3666       171.3808 -12.45736      196.0153 112.7031 30.89235 68.94198 30.41922 43.76114       43.35511 
1 1 1 -7  10  17 o 174.7007 20.82950 780.7442       170.5502 518.9288       249.0523 1011.940       234.0363 132.7445 37.56295 196.1270 25.56768 -63.38252      45.43877 
1 1 1 -7  10  18 o 107.8109 20.82760 304.2695       103.4660 269.6217       117.4842 424.0223       218.4162 99.84902 24.73879 119.9927 35.54846 -20.14370      43.30936 
1 1 1 -7  10  19 o 92.46794 24.52738 232.6233       110.1953 273.1927       117.9310 -46.53534      309.3527 100.1177 24.77432 79.74966 36.42426 20.36805       44.05103 
1 1 1 -7  10  20 o 226.0143 16.34284 1285.222       175.3997 1377.020       205.8365 1041.834       335.1615 232.2265 18.69761 182.9354 39.48127 49.29115       43.68491 
1 1 1 -7  10  21 o 181.6129 25.15841 893.9890       212.5836 664.2424       272.8394 1248.957       339.1385 144.3656 38.73113 203.3869 36.20480 -59.02138      53.01781 
1 1 1 -7  10  22 o 83.01917 29.65708 188.6626       148.7935 304.7817       163.4236 -374.1555      359.7881 101.2719 30.91942 69.07273 33.66542 32.19917       45.70964 
1 1 1 -7  10  23 o 130.6416 28.37072 502.2186       172.1124 582.3417       191.2877 161.6107       394.3989 139.8920 29.53001 91.07915 41.41625 48.81287       50.86578 
1 1 1 -7  10  24 o 63.27149 27.91733 30.87460       165.0992 -12.87065      181.3641 242.4734       398.8802 61.84915 28.10916 91.97188 41.75483 -30.12273      50.33479 
1 1 1 -7  10  25 o 99.98158 39.16992 388.6493       272.3957 298.5804       365.3581 501.3730       408.7323 91.98080 41.00403 103.4914 44.82545 -11.51063      60.75073 
1 1 1 -7  10  26 o 52.15299 25.48399 -229.7476      209.9737 -291.0455      239.0888 -23.04346      439.0473 53.60517 26.39491 77.31359 37.57012 -23.70842      45.91520 
1 1 1 -7  10  27 o 65.70822 29.42624 77.57359       190.4560 25.93216       256.4342 141.1046       284.4265 67.00571 31.46981 74.51901 34.36202 -7.513306      46.59504 
1 1 1 -7  11  1  o 217.7904 9.093947 1144.279       94.48064 0.000000       0.000000 1144.279       94.48064 ?        ?        217.7904 9.093947 0.000000       9.093947 
1 1 1 -7  11  2  o 361.4312 9.299972 3149.532       160.5664 0.000000       0.000000 3149.532       160.5664 ?        ?        361.4312 9.299972 0.000000       9.299972 
1 1 1 -7  11  3  o 128.3400 10.99301 400.9909       66.80179 0.000000       0.000000 400.9909       66.80179 ?        ?        128.3400 10.99301 0.000000       10.99301 
1 1 1 -7  11  4  o 48.85764 16.26658 55.72578       44.46933 0.000000       0.000000 55.72578       44.46933 ?        ?        48.85764 16.26658 0.000000       16.26658 
1 1 1 -7  11  5  o 223.1517 9.001820 1201.693       95.83994 0.000000       0.000000 1201.693       95.83994 ?        ?        223.1517 9.001820 0.000000       9.001820 
1 1 1 -7  11  6  f 99.78758 12.36445 245.1835       57.72645 0.000000       0.000000 245.1835       57.72645 ?        ?        99.78758 12.36445 0.000000       12.36445 
1 1 1 -7  11  7  o 50.89557 15.74817 63.51691       42.22025 0.000000       0.000000 63.51691       42.22025 ?        ?        50.89557 15.74817 0.000000       15.74817 
1 1 1 -7  11  8  o 181.9375 9.969087 802.0037       86.38195 0.000000       0.000000 802.0037       86.38195 ?        ?        181.9375 9.969087 0.000000       9.969087 
1 1 1 -7  11  9  o 81.69596 16.19997 169.4861       61.03802 0.000000       0.000000 169.4861       61.03802 ?        ?        81.69596 16.19997 0.000000       16.19997 
1 1 1 -7  11  10 o 139.8970 33.98943 546.8580       225.0601 0.000000       0.000000 546.8580       225.0601 ?        ?        139.8970 33.98943 0.000000       33.98943 
1 1 1 -7  11  11 o 73.29194 28.24460 106.4427       139.8359 106.4427       139.8359 0.000000       0.000000 73.29194 28.24460 ?        ?        0.000000       28.24460 
1 1 1 -7  11  12 o 190.2552 16.30817 898.2665       146.9077 905.7813       170.9488 877.0429       287.2882 189.7839 19.10025 176.9611 35.19635 12.82286       40.04501 
1 1 1 -7  11  13 o 241.8091 14.62281 1439.063       168.2587 1494.565       204.6488 1323.273       295.5929 244.8904 17.59682 223.3372 28.31952 21.55324       33.34132 
1 1 1 -7  11  14 o 166.8559 14.60603 688.5630       115.3413 689.0402       144.4220 687.7228       191.6582 165.2328 18.60523 161.3977 25.69923 3.835098       31.72704 
1 1 1 -7  11  15 o 124.3317 27.18909 420.2957       157.1034 404.9993       188.8388 454.6843       283.1414 119.4803 32.29492 122.6506 41.05015 -3.170288      52.23100 
1 1 1 -7  11  16 o 339.9493 12.74432 2836.504       206.7614 2839.400       253.0379 2830.685       358.6663 337.8504 15.70881 330.2587 22.85680 7.591644       27.73445 
1 1 1 -7  11  17 o 123.0458 28.85479 425.2490       166.7841 376.2482       188.1376 605.0992       360.4373 113.5227 32.81767 133.1646 46.27744 -19.64194      56.73272 
1 1 1 -7  11  18 o 87.61594 35.87461 167.9809       239.1891 300.2286       310.1858 -26.00216      375.6729 103.2444 41.36370 86.12873 39.63424 17.11570       57.28725 
1 1 1 -7  11  19 o 103.3413 33.73361 318.4512       191.5754 196.8234       330.0644 380.2424       235.2585 95.08611 40.72198 110.4666 37.42027 -15.38046      55.30421 
1 1 1 -7  11  20 o 40.79894 19.13176 -79.27777      94.14324 -86.45216      107.6077 -55.87017      194.3701 43.69876 20.47960 62.82954 28.76267 -19.13078      35.30872 
1 1 1 -7  11  21 o 66.77230 24.67234 110.2956       104.1758 116.7607       121.2306 92.04441       203.6912 69.36870 26.40670 74.58560 31.96721 -5.216904      41.46344 
1 1 1 -7  11  22 o 95.01971 24.67101 261.7177       113.0514 267.1798       133.9784 248.2140       210.6601 94.01631 27.83888 89.07809 34.57524 4.938217       44.38976 
1 1 1 -7  11  23 o 66.62252 25.57725 112.7660       114.3680 -11.30993      133.9690 446.1760       219.6088 54.37441 24.48791 111.5849 36.09495 -57.21047      43.61769 
1 1 1 -7  11  24 o 132.9643 30.35064 569.1443       188.6724 571.3761       269.4914 566.9988       264.2325 118.0452 40.04980 118.3132 39.65658 -0.2679596     56.36161 
1 1 1 -7  11  25 o 66.62311 29.85809 73.02930       196.4821 -120.6989      305.0564 210.3726       256.8547 65.04425 31.53996 79.55300 34.97169 -14.50875      47.09340 
1 1 1 -7  11  26 o 90.42106 30.75842 303.4803       158.9655 363.8942       199.7309 199.0746       262.5664 93.74620 34.24199 76.04190 34.26094 17.70430       48.43889 
1 1 1 -7  12  1  o 239.2569 9.249651 1382.799       105.6037 0.000000       0.000000 1382.799       105.6037 ?        ?        239.2569 9.249651 0.000000       9.249651 
1 1 1 -7  12  2  o 306.5677 11.09130 2279.097       162.2934 0.000000       0.000000 2279.097       162.2934 ?        ?        306.5677 11.09130 0.000000       11.09130 
1 1 1 -7  12  3  o 216.6354 9.708064 1135.526       100.2919 0.000000       0.000000 1135.526       100.2919 ?        ?        216.6354 9.708064 0.000000       9.708064 
1 1 1 -7  12  4  o 333.6301 9.267489 2687.921       147.6777 0.000000       0.000000 2687.921       147.6777 ?        ?        333.6301 9.267489 0.000000       9.267489 
1 1 1 -7  12  5  o 322.2248 8.917060 2505.842       137.2370 0.000000       0.000000 2505.842       137.2370 ?        ?        322.2248 8.917060 0.000000       8.917060 
1 1 1 -7  12  6  o 261.7507 9.345218 1655.967       116.7584 0.000000       0.000000 1655.967       116.7584 ?        ?        261.7507 9.345218 0.000000       9.345218 
1 1 1 -7  12  7  o 245.0680 9.621810 1453.005       112.5141 0.000000       0.000000 1453.005       112.5141 ?        ?        245.0680 9.621810 0.000000       9.621810 
1 1 1 -7  12  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  12  9  o 350.5326 10.59819 2979.433       177.4065 0.000000       0.000000 2979.433       177.4065 ?        ?        350.5326 10.59819 0.000000       10.59819 
1 1 1 -7  12  10 o 305.3993 9.632324 2257.445       140.4637 0.000000       0.000000 2257.445       140.4637 ?        ?        305.3993 9.632324 0.000000       9.632324 
1 1 1 -7  12  11 f 66.73367 16.93424 114.6243       54.10815 69.28229       100.7774 132.9890       64.13646 61.50928 23.90315 71.64934 18.57197 -10.14006      30.27009 
1 1 1 -7  12  12 o 161.2088 10.22461 632.9052       78.39713 523.6877       161.9468 666.3336       89.59497 140.2592 25.07112 165.0555 11.42440 -24.79622      27.55137 
1 1 1 -7  12  13 o 87.70799 28.59430 207.4930       137.6705 212.2862       155.9914 190.6075       292.7822 89.02369 30.46524 95.08014 39.38712 -6.056450      49.79433 
1 1 1 -7  12  14 o 78.85485 29.08801 151.6021       144.6972 171.4646       166.1837 89.34420       294.2173 83.30519 31.08943 86.83295 37.81659 -3.527763      48.95556 
1 1 1 -7  12  15 o 359.6073 15.56712 3227.465       267.0025 3228.832       363.9660 3225.872       392.8875 352.7957 21.68365 350.1123 23.61019 2.683411       32.05654 
1 1 1 -7  12  16 o 150.0099 18.51913 578.8631       129.9986 483.7484       143.4653 1015.341       307.3296 134.3546 23.17179 183.3808 36.33935 -49.02612      43.09850 
1 1 1 -7  12  17 o 60.00645 27.13408 -37.92311      166.4318 -142.0359      197.7831 214.6363       308.0483 58.26673 27.45004 94.86585 39.92786 -36.59912      48.45347 
1 1 1 -7  12  18 o 66.83752 25.34250 102.9263       111.3857 79.48107       127.1153 180.4624       231.1653 65.33076 26.37252 86.27637 35.29016 -20.94560      44.05570 
1 1 1 -7  12  19 o 155.9647 19.63462 644.4620       143.1682 690.9036       163.7013 493.3875       295.2529 159.6168 22.03940 115.6570 41.72023 43.95988       47.18382 
1 1 1 -7  12  20 o 119.9451 39.96049 538.2979       268.3586 663.4457       348.5774 356.1863       420.4908 124.5901 45.27721 98.96075 44.06034 25.62938       63.17705 
1 1 1 -7  12  21 o 132.4004 39.79254 664.7457       272.1644 623.8673       368.8963 713.5757       403.1819 115.6633 45.50214 119.8482 47.43858 -4.184937      65.73327 
1 1 1 -7  12  22 o 77.38693 31.84914 169.9424       189.7643 166.0946       377.3610 171.2448       219.5429 84.02947 39.03688 78.70078 33.44255 5.328690       51.40313 
1 1 1 -7  12  23 o 142.9652 29.54888 665.2738       195.2871 357.9116       327.7473 834.4667       243.1672 90.17094 39.57608 153.9220 33.95683 -63.75102      52.14722 
1 1 1 -7  12  24 o 60.11356 26.96389 45.39538       160.6140 38.93264       225.4574 52.05502       228.8660 65.06472 30.20848 66.07977 30.59514 -1.015045      42.99552 
1 1 1 -7  13  1  o 123.5259 29.20710 414.8471       169.7536 0.000000       0.000000 414.8471       169.7536 ?        ?        123.5259 29.20710 0.000000       29.20710 
1 1 1 -7  13  2  o 231.1616 18.24376 1335.021       199.9888 0.000000       0.000000 1335.021       199.9888 ?        ?        231.1616 18.24376 0.000000       18.24376 
1 1 1 -7  13  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  13  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  13  5  o 95.35653 16.33339 230.4083       71.78509 0.000000       0.000000 230.4083       71.78509 ?        ?        95.35653 16.33339 0.000000       16.33339 
1 1 1 -7  13  6  o 267.6288 9.403420 1734.368       120.1301 0.000000       0.000000 1734.368       120.1301 ?        ?        267.6288 9.403420 0.000000       9.403420 
1 1 1 -7  13  7  o 101.5104 14.12552 257.5876       66.69794 0.000000       0.000000 257.5876       66.69794 ?        ?        101.5104 14.12552 0.000000       14.12552 
1 1 1 -7  13  8  o 258.8046 9.630237 1625.290       118.9486 0.000000       0.000000 1625.290       118.9486 ?        ?        258.8046 9.630237 0.000000       9.630237 
1 1 1 -7  13  9  o 43.18946 17.77854 18.43513       59.14618 0.000000       0.000000 18.43513       59.14618 ?        ?        43.18946 17.77854 0.000000       17.77854 
1 1 1 -7  13  10 o 35.85315 14.36579 16.59677       37.41909 0.000000       0.000000 16.59677       37.41909 ?        ?        35.85315 14.36579 0.000000       14.36579 
1 1 1 -7  13  11 o 248.2562 10.33037 1502.193       122.3416 0.000000       0.000000 1502.193       122.3416 ?        ?        248.2562 10.33037 0.000000       10.33037 
1 1 1 -7  13  12 o 224.3299 9.340935 1223.617       99.96191 1156.776       183.1237 1251.988       119.3049 213.2043 18.13757 226.1544 11.06792 -12.95015      21.24783 
1 1 1 -7  13  13 o 133.4586 12.43799 441.3624       78.44695 314.0094       168.0618 476.8396       88.70312 103.8315 31.28362 138.2992 13.59099 -34.46774      34.10835 
1 1 1 -7  13  14 o 51.60592 16.21160 66.82882       44.56060 223.7125       99.63097 27.59850       49.82146 90.53284 22.98203 42.16197 16.67992 48.37088       28.39707 
1 1 1 -7  13  15 o 170.8431 17.05593 746.4876       137.4497 698.9141       150.8082 979.8942       334.0404 163.5367 19.68394 171.6626 41.22242 -8.125885      45.68091 
1 1 1 -7  13  16 o 217.0439 15.76509 1198.006       162.4731 1186.224       214.3064 1213.932       249.1545 210.6080 21.58918 208.9114 25.47185 1.696548       33.39024 
1 1 1 -7  13  17 o 62.80505 24.80873 84.71611       110.0603 103.5927       116.7834 -65.21416      329.1275 66.41169 25.75272 75.19539 35.42071 -8.783699      43.79303 
1 1 1 -7  13  18 o 124.4649 30.76124 488.0849       181.9816 198.1730       214.8105 1225.142       342.5100 83.12446 34.01199 186.1567 39.69706 -103.0323      52.27496 
1 1 1 -7  13  19 o 38.82811 18.90435 -161.5968      112.6129 -208.3214      127.1736 8.115917       242.3714 39.61460 19.45523 69.22843 31.84912 -29.61383      37.32121 
1 1 1 -7  13  20 o 43.04779 20.57683 -113.3952      119.3302 -153.3749      134.8405 31.01477       256.2708 43.80668 21.17625 70.56360 32.56631 -26.75692      38.84583 
1 1 1 -7  13  21 o 64.86557 29.83045 26.32747       212.3356 83.76035       241.9313 -166.2772      443.0422 70.70077 32.26078 71.91156 35.50749 -1.210793      47.97437 
1 1 1 -7  13  22 o 73.77861 33.55684 154.9433       259.0980 278.2623       326.7102 -54.07200      425.3403 81.62938 37.33936 71.44653 35.18484 10.18285       51.30498 
1 1 1 -7  14  1  o 197.0342 10.57603 946.4869       99.26090 0.000000       0.000000 946.4869       99.26090 ?        ?        197.0342 10.57603 0.000000       10.57603 
1 1 1 -7  14  2  o 143.5420 11.22233 505.0136       76.40236 0.000000       0.000000 505.0136       76.40236 ?        ?        143.5420 11.22233 0.000000       11.22233 
1 1 1 -7  14  3  o 322.1103 9.446018 2517.132       145.3090 0.000000       0.000000 2517.132       145.3090 ?        ?        322.1103 9.446018 0.000000       9.446018 
1 1 1 -7  14  4  o 235.2002 9.850525 1345.243       110.5205 0.000000       0.000000 1345.243       110.5205 ?        ?        235.2002 9.850525 0.000000       9.850525 
1 1 1 -7  14  5  o 65.55626 19.44713 111.3672       65.33147 0.000000       0.000000 111.3672       65.33147 ?        ?        65.55626 19.44713 0.000000       19.44713 
1 1 1 -7  14  6  o 455.5259 8.785101 5025.196       191.3235 0.000000       0.000000 5025.196       191.3235 ?        ?        455.5259 8.785101 0.000000       8.785101 
1 1 1 -7  14  7  f 74.55494 17.84928 145.3992       62.77694 0.000000       0.000000 145.3992       62.77694 ?        ?        74.55494 17.84928 0.000000       17.84928 
1 1 1 -7  14  8  o 210.4126 10.03366 1079.652       100.6436 0.000000       0.000000 1079.652       100.6436 ?        ?        210.4126 10.03366 0.000000       10.03366 
1 1 1 -7  14  9  f 56.96388 15.74991 83.66885       44.32936 0.000000       0.000000 83.66885       44.32936 ?        ?        56.96388 15.74991 0.000000       15.74991 
1 1 1 -7  14  10 o 81.92259 19.22027 177.9962       73.97287 0.000000       0.000000 177.9962       73.97287 ?        ?        81.92259 19.22027 0.000000       19.22027 
1 1 1 -7  14  11 o 191.8228 11.70554 907.5664       106.8384 0.000000       0.000000 907.5664       106.8384 ?        ?        191.8228 11.70554 0.000000       11.70554 
1 1 1 -7  14  12 o 165.9659 12.87177 686.7100       101.3350 0.000000       0.000000 686.7100       101.3350 ?        ?        165.9659 12.87177 0.000000       12.87177 
1 1 1 -7  14  13 o 54.78630 20.49047 66.81940       72.26694 0.000000       0.000000 66.81940       72.26694 ?        ?        54.78630 20.49047 0.000000       20.49047 
1 1 1 -7  14  14 o 50.08772 18.64733 55.38193       59.71459 -16.47046      102.0868 92.75327       73.62381 48.24773 21.57994 60.22135 20.91601 -11.97363      30.05285 
1 1 1 -7  14  15 f 112.3869 14.41126 324.5714       75.65327 533.9372       183.4635 281.6765       83.04234 131.5016 29.86499 102.9374 17.49976 28.56416       34.61443 
1 1 1 -7  14  16 o 93.00417 28.82024 270.9479       141.3416 179.7411       191.5633 379.9303       209.4000 79.64978 32.29462 103.7360 35.30189 -24.08621      47.84523 
1 1 1 -7  14  17 o 127.9629 19.61153 448.0146       116.1602 285.6074       137.2663 857.7094       218.0176 95.15775 28.17879 167.6520 28.20032 -72.49429      39.86605 
1 1 1 -7  14  18 o 105.2095 32.89699 395.2046       183.7059 341.6987       214.5020 542.4500       355.8372 94.59436 35.31740 103.2830 43.15452 -8.688660      55.76407 
1 1 1 -7  14  19 o 42.84180 20.20425 -71.34996      107.6548 -155.7868      125.4421 164.6724       209.7267 41.06334 19.98349 74.29698 32.14496 -33.23365      37.85021 
1 1 1 -7  14  20 o 45.31051 21.35817 -65.34184      120.0396 -97.65539      134.3984 62.10653       266.9124 45.70143 21.84311 68.32481 32.09469 -22.62337      38.82256 
1 1 1 -7  15  1  o 111.4858 15.12785 314.9040       78.55311 0.000000       0.000000 314.9040       78.55311 ?        ?        111.4858 15.12785 0.000000       15.12785 
1 1 1 -7  15  2  o 97.97292 15.89040 245.8438       71.88259 0.000000       0.000000 245.8438       71.88259 ?        ?        97.97292 15.89040 0.000000       15.89040 
1 1 1 -7  15  3  o 141.8737 13.56593 502.7219       90.89590 0.000000       0.000000 502.7219       90.89590 ?        ?        141.8737 13.56593 0.000000       13.56593 
1 1 1 -7  15  4  o 105.5449 16.95720 287.6552       82.66828 0.000000       0.000000 287.6552       82.66828 ?        ?        105.5449 16.95720 0.000000       16.95720 
1 1 1 -7  15  5  o 209.9798 12.09866 1090.027       120.9429 0.000000       0.000000 1090.027       120.9429 ?        ?        209.9798 12.09866 0.000000       12.09866 
1 1 1 -7  15  6  o 251.4308 9.957982 1546.836       119.4643 0.000000       0.000000 1546.836       119.4643 ?        ?        251.4308 9.957982 0.000000       9.957982 
1 1 1 -7  15  7  f 287.8207 9.829883 2027.325       135.0644 0.000000       0.000000 2027.325       135.0644 ?        ?        287.8207 9.829883 0.000000       9.829883 
1 1 1 -7  15  8  o 177.0352 10.83778 773.5503       91.28979 0.000000       0.000000 773.5503       91.28979 ?        ?        177.0352 10.83778 0.000000       10.83778 
1 1 1 -7  15  9  o 180.7882 10.84692 807.9376       93.32185 0.000000       0.000000 807.9376       93.32185 ?        ?        180.7882 10.84692 0.000000       10.84692 
1 1 1 -7  15  10 o 157.4210 11.83739 618.3996       88.43698 0.000000       0.000000 618.3996       88.43698 ?        ?        157.4210 11.83739 0.000000       11.83739 
1 1 1 -7  15  11 o 65.99325 20.73099 118.8453       72.86868 0.000000       0.000000 118.8453       72.86868 ?        ?        65.99325 20.73099 0.000000       20.73099 
1 1 1 -7  15  12 o 111.1854 17.30189 327.7877       88.98006 0.000000       0.000000 327.7877       88.98006 ?        ?        111.1854 17.30189 0.000000       17.30189 
1 1 1 -7  15  13 o 92.48111 19.65224 236.1055       84.20875 0.000000       0.000000 236.1055       84.20875 ?        ?        92.48111 19.65224 0.000000       19.65224 
1 1 1 -7  15  14 o 67.83458 21.69067 130.2857       79.46302 0.000000       0.000000 130.2857       79.46302 ?        ?        67.83458 21.69067 0.000000       21.69067 
1 1 1 -7  15  15 o 48.19704 16.44769 59.15423       45.46101 251.6943       109.7007 19.23235       49.95218 90.71468 24.65485 39.36032 16.28366 51.35437       29.54690 
1 1 1 -7  15  16 o 25.74697 12.83786 -149.8812      63.62656 -111.3923      183.1997 -155.1606      67.85014 53.04833 25.39446 26.77405 13.33507 26.27428       28.68279 
1 1 1 -7  15  17 o 61.67132 20.03655 109.5895       67.62801 -2.832061      120.3000 161.5330       81.77236 50.64397 22.96782 73.15660 21.77063 -22.51263      31.64619 
1 1 1 -7  16  1  o 110.6880 13.95182 312.2271       72.19434 0.000000       0.000000 312.2271       72.19434 ?        ?        110.6880 13.95182 0.000000       13.95182 
1 1 1 -7  16  2  o 29.08445 13.57580 -39.29920      46.50379 0.000000       0.000000 -39.29920      46.50379 ?        ?        29.08445 13.57580 0.000000       13.57580 
1 1 1 -7  16  3  o 68.82866 23.99555 127.6557       96.94653 0.000000       0.000000 127.6557       96.94653 ?        ?        68.82866 23.99555 0.000000       23.99555 
1 1 1 -7  16  4  o 66.32484 22.71764 118.0095       86.74429 0.000000       0.000000 118.0095       86.74429 ?        ?        66.32484 22.71764 0.000000       22.71764 
1 1 1 -7  16  5  o 110.5094 17.35624 322.8515       88.67981 0.000000       0.000000 322.8515       88.67981 ?        ?        110.5094 17.35624 0.000000       17.35624 
1 1 1 -7  16  6  o 74.05373 21.28284 153.5356       79.34357 0.000000       0.000000 153.5356       79.34357 ?        ?        74.05373 21.28284 0.000000       21.28284 
1 1 1 -7  16  7  o 150.3373 13.39638 573.7853       95.27832 0.000000       0.000000 573.7853       95.27832 ?        ?        150.3373 13.39638 0.000000       13.39638 
1 1 1 -7  16  8  o 49.59826 20.32792 38.73096       76.89267 0.000000       0.000000 38.73096       76.89267 ?        ?        49.59826 20.32792 0.000000       20.32792 
1 1 1 -7  16  9  o 51.19725 21.01405 43.60767       82.32423 0.000000       0.000000 43.60767       82.32423 ?        ?        51.19725 21.01405 0.000000       21.01405 
1 1 1 -7  16  10 o 60.60995 22.06723 97.33046       82.85452 0.000000       0.000000 97.33046       82.85452 ?        ?        60.60995 22.06723 0.000000       22.06723 
1 1 1 -7  16  11 o 115.2095 17.33686 359.5588       92.53529 0.000000       0.000000 359.5588       92.53529 ?        ?        115.2095 17.33686 0.000000       17.33686 
1 1 1 -7  16  12 o 57.51904 21.80959 85.18129       82.49529 0.000000       0.000000 85.18129       82.49529 ?        ?        57.51904 21.80959 0.000000       21.80959 
1 1 1 -7  16  13 o 29.31565 13.51327 -26.23530      43.93355 0.000000       0.000000 -26.23530      43.93355 ?        ?        29.31565 13.51327 0.000000       13.51327 
1 1 1 -7  17  1  o 39.05288 17.00095 2.083791       59.41209 0.000000       0.000000 2.083791       59.41209 ?        ?        39.05288 17.00095 0.000000       17.00095 
1 1 1 -7  17  2  o 54.62904 19.12887 77.90014       61.64956 0.000000       0.000000 77.90014       61.64956 ?        ?        54.62904 19.12887 0.000000       19.12887 
1 1 1 -7  17  3  o 102.4928 22.47682 307.4859       107.0988 0.000000       0.000000 307.4859       107.0988 ?        ?        102.4928 22.47682 0.000000       22.47682 
1 1 1 -7  17  4  o 176.5067 15.05347 815.8799       125.8188 0.000000       0.000000 815.8799       125.8188 ?        ?        176.5067 15.05347 0.000000       15.05347 
1 1 1 -7  17  5  o 73.83640 23.74125 165.0492       95.10175 0.000000       0.000000 165.0492       95.10175 ?        ?        73.83640 23.74125 0.000000       23.74125 
1 1 1 -7  17  6  o 142.6301 15.17402 537.1339       101.8849 0.000000       0.000000 537.1339       101.8849 ?        ?        142.6301 15.17402 0.000000       15.17402 
1 1 1 -6  -23 1  o 58.08738 25.70056 0.2310862      140.8472 0.2310862      140.8472 0.000000       0.000000 58.08738 25.70056 ?        ?        0.000000       25.70056 
1 1 1 -6  -23 2  o 149.6270 18.07985 583.8773       126.7149 583.8773       126.7149 0.000000       0.000000 149.6270 18.07985 ?        ?        0.000000       18.07985 
1 1 1 -6  -23 3  o 27.32975 13.84904 -308.0228      91.45422 -308.0228      91.45422 0.000000       0.000000 27.32975 13.84904 ?        ?        0.000000       13.84904 
1 1 1 -6  -23 4  o 113.3857 14.50620 328.4107       76.83704 165.8315       132.4107 410.9531       94.34718 77.36306 27.93473 126.1849 15.99822 -48.82184      32.19149 
1 1 1 -6  -23 5  o 58.63885 17.76421 90.75005       54.08598 119.6810       80.81274 67.27656       72.79263 66.68190 21.91784 54.74796 20.54651 11.93394       30.04248 
1 1 1 -6  -22 1  o 160.1796 15.58107 644.9249       117.8139 644.9249       117.8139 0.000000       0.000000 160.1796 15.58107 ?        ?        0.000000       15.58107 
1 1 1 -6  -22 2  o 100.1176 22.10013 269.2896       102.9474 269.2896       102.9474 0.000000       0.000000 100.1176 22.10013 ?        ?        0.000000       22.10013 
1 1 1 -6  -22 3  f 180.0368 11.16595 795.6534       95.63625 647.6205       133.7673 950.4366       136.7832 159.0934 17.89698 194.9706 14.78444 -35.87715      23.21382 
1 1 1 -6  -22 4  o 135.7147 10.91158 452.9078       70.20209 534.0805       102.7130 381.7458       96.17107 145.7501 14.95212 122.1345 16.92442 23.61564       22.58322 
1 1 1 -6  -22 5  o 57.41587 17.51062 84.49864       52.43368 72.24100       88.86488 91.04524       64.94338 59.07700 22.57952 60.02802 19.64373 -0.9510269     29.92843 
1 1 1 -6  -22 6  o 150.7845 11.39899 560.6328       81.56478 456.4121       117.6926 656.9500       113.1420 132.3108 19.16292 161.6582 14.80337 -29.34741      24.21482 
1 1 1 -6  -22 7  o 92.20960 17.76032 222.9836       75.45525 230.0262       102.6070 214.6899       111.3478 91.18569 23.41636 87.48846 25.23359 3.697235       34.42470 
1 1 1 -6  -22 8  o 112.6279 15.88182 325.9712       83.14626 363.1689       116.3894 287.2027       118.8215 115.6595 21.84914 100.8828 24.81098 14.77665       33.06009 
1 1 1 -6  -22 9  o 228.4289 13.51007 1307.166       146.8835 998.1159       227.5164 1528.031       192.3365 188.4576 25.93903 244.2719 16.56751 -55.81430      30.77849 
1 1 1 -6  -22 10 o 98.91064 15.79121 253.7491       72.16386 297.7899       132.2342 235.0699       86.11825 100.6807 26.94258 93.07619 19.95243 7.604469       33.52614 
1 1 1 -6  -21 1  o 107.6876 17.46595 294.2773       86.84425 294.2773       86.84425 0.000000       0.000000 107.6876 17.46595 ?        ?        0.000000       17.46595 
1 1 1 -6  -21 2  o 70.09949 17.63099 126.7160       59.02362 118.6608       126.2202 128.9704       66.77429 73.10301 27.13074 70.61661 19.25327 2.486404       33.26809 
1 1 1 -6  -21 3  o 258.1162 10.37086 1617.516       127.7183 1596.985       162.8848 1650.286       205.7877 255.1621 13.39925 257.5432 16.80504 -2.381042      21.49301 
1 1 1 -6  -21 4  o 112.4658 11.53786 310.8887       61.15881 342.3413       90.90483 284.8798       82.66447 116.3863 16.82483 105.9668 16.88301 10.41944       23.83508 
1 1 1 -6  -21 5  o 122.2840 13.89610 371.7704       79.80102 378.6409       116.0364 365.6049       109.9230 120.6757 20.86728 118.8893 20.05175 1.786385       28.93987 
1 1 1 -6  -21 6  o 172.4465 11.28607 727.8755       92.53633 641.3018       137.8540 798.8788       124.8434 158.7089 18.51553 179.2775 14.69454 -20.56862      23.63799 
1 1 1 -6  -21 7  f 109.2745 17.76140 306.7294       89.60722 198.1349       150.9663 365.7993       111.3422 86.24871 29.95118 118.3310 20.41887 -32.08228      36.24918 
1 1 1 -6  -21 8  o 180.5553 11.39018 799.9382       97.82054 556.3984       147.9485 989.0952       130.3878 145.3245 21.98023 199.7099 13.73990 -54.38538      25.92133 
1 1 1 -6  -21 9  o 88.64212 21.04788 210.0754       87.86089 41.38510       121.8423 392.8156       126.8149 60.31377 25.23019 121.1404 22.73111 -60.82667      33.95977 
1 1 1 -6  -21 10 o 80.86462 26.19089 177.4440       115.6044 248.9312       198.0621 140.5056       142.3725 93.90997 34.12930 76.24930 28.70934 17.66068       44.59860 
1 1 1 -6  -21 11 o 114.3068 19.00862 342.4012       100.2330 214.6269       133.0718 509.9550       152.3847 87.22440 28.08707 136.6709 24.20745 -49.44646      37.07943 
1 1 1 -6  -21 12 o 100.7445 22.94190 280.0360       108.0171 525.3328       154.6152 46.17365       150.9685 137.9796 24.32712 64.50024 27.57990 73.47936       36.77580 
1 1 1 -6  -21 13 o 94.59641 28.11940 264.2126       136.4798 595.8477       239.9406 105.5961       165.9387 134.6876 36.40238 72.23737 29.76171 62.45023       47.02013 
1 1 1 -6  -20 1  o 114.9560 12.53185 324.7257       67.76013 324.7257       67.76013 0.000000       0.000000 114.9560 12.53185 ?        ?        0.000000       12.53185 
1 1 1 -6  -20 2  o 174.8422 8.995996 739.0045       74.94476 784.0273       99.88410 681.0060       113.3675 179.4212 11.70828 166.3637 14.39500 13.05759       18.55532 
1 1 1 -6  -20 3  f 72.25441 12.17980 130.1125       40.57933 77.41832       58.32777 179.5419       56.49193 56.74681 18.61901 84.59311 14.48917 -27.84630      23.59245 
1 1 1 -6  -20 4  o 66.56918 15.12788 112.7594       47.04902 72.31335       58.53408 186.5923       79.08526 55.42963 18.66567 84.90876 19.84105 -29.47913      27.24104 
1 1 1 -6  -20 5  o 183.0051 11.18315 814.9113       97.37715 875.5052       154.7429 775.1846       125.2962 187.4080 17.47220 177.2575 14.92359 10.15050       22.97806 
1 1 1 -6  -20 6  f 192.2669 11.63334 900.7291       106.4340 556.0936       181.4037 1081.649       131.4346 144.5451 27.24945 210.2236 13.14312 -65.67847      30.25350 
1 1 1 -6  -20 7  o 105.4236 12.76024 274.5042       63.00664 208.0457       100.1928 317.9775       81.03502 88.84381 23.30387 112.7969 15.43094 -23.95311      27.94968 
1 1 1 -6  -20 8  o 124.6956 15.22123 387.4744       88.86370 -26.95077      158.5057 577.4413       107.3151 61.18070 27.15638 152.6733 14.89150 -91.49258      30.97137 
1 1 1 -6  -20 9  o 171.1709 12.45514 718.4634       101.2290 596.8297       153.8212 811.3853       134.4461 152.0128 21.78755 180.6528 15.72312 -28.63995      26.86845 
1 1 1 -6  -20 10 o 70.61530 20.05083 129.9108       70.84063 -42.62458      118.6702 225.4349       88.29964 50.96349 22.99097 92.66103 20.47798 -41.69754      30.78851 
1 1 1 -6  -20 11 o 52.95620 20.68962 49.15728       75.82418 287.6897       191.4327 4.771465       82.57803 100.5747 33.75490 47.36060 20.32735 53.21406       39.40298 
1 1 1 -6  -20 12 o 41.51515 18.54013 -22.56176      75.04518 133.0974       136.6751 -89.74586      89.79150 75.14807 28.16405 38.96735 18.39981 36.18073       33.64174 
1 1 1 -6  -20 13 o 70.49651 21.86217 130.5754       81.31441 66.19429       138.4302 164.4925       100.4757 66.06046 27.19651 78.25855 24.30722 -12.19809      36.47590 
1 1 1 -6  -20 14 o 100.5088 28.02262 288.6914       139.6901 569.7347       246.6564 155.9886       169.4907 134.2904 37.16008 80.22735 31.04790 54.06309       48.42359 
1 1 1 -6  -20 15 o 117.8951 19.78945 368.2462       107.5935 293.7983       136.0709 492.4492       175.7539 100.8184 27.48273 130.0944 28.99859 -29.27600      39.95271 
1 1 1 -6  -20 16 o 55.66530 21.64922 62.43795       82.71895 81.48286       130.4651 49.63542       106.9678 65.42149 26.60507 57.72059 23.84928 7.700905       35.72979 
1 1 1 -6  -19 1  o 187.0388 7.972781 842.2312       71.12997 885.9647       94.88630 786.1279       107.4710 191.3717 10.41012 179.7299 12.58683 11.64172       16.33398 
1 1 1 -6  -19 2  o 210.4195 9.213453 1067.958       92.46188 1040.174       117.2172 1113.720       150.4327 207.0418 11.89202 213.3934 14.83769 -6.351608      19.01519 
1 1 1 -6  -19 3  o 50.45894 13.77375 63.83929       34.15104 42.62699       49.53250 83.05950       47.14931 46.35483 17.03263 57.54509 16.36407 -11.19026      23.61976 
1 1 1 -6  -19 4  o 98.06470 12.74225 236.8396       58.32897 139.1623       79.69712 349.5164       85.59785 73.94992 21.35399 118.7669 15.44020 -44.81701      26.35133 
1 1 1 -6  -19 5  o 325.0089 13.03293 2567.504       202.0989 2764.661       288.4176 2377.317       283.2738 334.7474 18.08892 309.7179 19.22553 25.02948       26.39754 
1 1 1 -6  -19 6  o 113.1719 10.89849 312.3772       58.23924 375.1090       90.68272 268.3387       75.97962 122.8848 15.80064 103.6228 15.83888 19.26207       22.37254 
1 1 1 -6  -19 7  o 126.8823 11.34320 392.8259       68.08395 450.3456       115.4680 362.1699       84.29674 133.8140 18.54696 120.8886 14.90031 12.92536       23.79094 
1 1 1 -6  -19 8  o 181.0584 9.610399 793.3681       82.89152 869.1258       150.8052 760.5709       99.22508 187.1536 17.04096 176.7109 11.81276 10.44276       20.73488 
1 1 1 -6  -19 9  o 286.8997 10.93178 1995.984       149.6698 1766.440       250.0093 2124.202       186.8524 265.5631 19.83483 294.9949 13.28285 -29.43179      23.87163 
1 1 1 -6  -19 10 o 50.65194 21.21309 17.46862       86.28320 -124.5816      110.6177 238.1799       137.8846 42.46823 20.16152 94.55721 28.30139 -52.08898      34.74846 
1 1 1 -6  -19 11 f 246.0875 12.20507 1476.236       143.1466 1646.675       220.0001 1351.099       188.5085 257.0729 18.01423 233.2685 17.02022 23.80441       24.78307 
1 1 1 -6  -19 12 o 140.1926 17.54088 494.5534       115.0009 425.2701       161.7393 565.3942       163.5474 125.4199 27.71302 147.0179 24.10281 -21.59798      36.72815 
1 1 1 -6  -19 13 o 89.67871 21.27212 211.9898       89.81633 136.7904       141.3655 262.8935       116.3084 77.07729 28.69199 98.85564 24.68553 -21.77834      37.84977 
1 1 1 -6  -19 14 o 174.8468 15.76498 764.8293       130.3691 211.1945       252.5828 965.8813       152.2110 94.08489 37.44858 196.3056 16.36708 -102.2207      40.86903 
1 1 1 -6  -19 15 o 220.5923 11.99058 1195.107       125.9805 1328.454       194.9486 1099.491       165.0800 228.9113 17.95694 208.9823 16.66037 19.92900       24.49530 
1 1 1 -6  -19 16 o 165.9423 12.97555 682.1553       102.1237 417.3132       166.4698 841.9720       129.3163 121.0639 29.11891 183.4883 14.86860 -62.42441      32.69535 
1 1 1 -6  -19 17 o 243.2777 11.66838 1457.276       135.3173 1550.145       247.5014 1417.680       161.6102 242.6693 21.55723 238.2443 14.25372 4.424988       25.84342 
1 1 1 -6  -19 18 o 174.0924 14.33620 763.1854       118.2660 1131.426       287.8774 688.4173       129.7180 194.8349 32.01637 163.7576 16.80704 31.07724       36.15971 
1 1 1 -6  -18 1  o 127.1697 8.815137 390.7400       53.26289 377.4625       68.38577 411.2150       84.92186 124.4867 11.62479 129.4756 13.93832 -4.988876      18.14973 
1 1 1 -6  -18 2  f 99.17032 10.00733 239.2823       46.79860 262.4701       67.72925 218.0971       64.73844 103.0743 14.11447 93.59669 14.97186 9.477600       20.57607 
1 1 1 -6  -18 3  o 123.3850 9.598761 368.7264       56.17693 415.7841       86.70221 334.6764       73.75201 130.1279 14.16477 116.7544 13.45872 13.37347       19.53913 
1 1 1 -6  -18 4  o 144.8062 10.19253 507.8409       70.11235 543.0632       102.6694 477.0612       95.97630 148.7806 14.62272 139.3596 14.62271 9.421021       20.67964 
1 1 1 -6  -18 5  o 154.4257 10.78640 578.1027       79.13441 581.5339       123.6649 575.7234       102.9793 153.2801 17.17007 153.3279 14.20984 -0.4786682E-01 22.28746 
1 1 1 -6  -18 6  o 71.95035 13.38266 129.4020       44.34067 101.4599       69.92583 148.1933       57.34378 64.35854 20.32032 76.55659 16.17481 -12.19805      25.97190 
1 1 1 -6  -18 7  o 82.57767 18.39314 173.6868       70.75278 89.22300       146.7709 199.2570       80.75542 72.98029 28.70403 88.30017 19.63708 -15.31988      34.77839 
1 1 1 -6  -18 8  o 98.67122 14.54951 241.5695       66.57803 353.3951       105.3985 167.3234       85.88168 118.4057 19.28173 80.71778 21.76248 37.68797       29.07560 
1 1 1 -6  -18 9  o 156.5652 12.20581 596.9616       90.64156 658.5278       182.0903 576.6808       104.5099 160.3067 24.53849 153.3054 14.42874 7.001282       28.46622 
1 1 1 -6  -18 10 o 194.8549 11.50319 921.9431       106.6845 909.6873       168.7681 930.0999       137.6829 191.1446 18.70726 194.7022 14.90441 -3.557663      23.91867 
1 1 1 -6  -18 11 o 244.5446 12.30513 1454.825       143.4018 1442.516       222.5076 1463.570       187.5464 240.3768 19.52983 243.7483 16.18549 -3.371506      25.36502 
1 1 1 -6  -18 12 o 131.2469 15.18958 426.9625       93.55370 479.9532       154.4803 396.2721       117.5642 135.6358 24.73371 124.6215 20.44012 11.01427       32.08668 
1 1 1 -6  -18 13 o 52.87783 18.55302 62.51272       58.01263 95.81435       128.0819 53.91764       65.06983 70.29216 27.04639 52.22256 19.46097 18.06960       33.32021 
1 1 1 -6  -18 14 o 137.7738 12.85601 466.1952       83.70252 707.4803       157.2314 370.7725       98.87805 167.1489 20.07696 121.2775 17.56413 45.87143       26.67552 
1 1 1 -6  -18 15 o 105.0685 17.65718 280.8946       85.55286 353.4258       127.8612 222.0989       115.1195 115.6446 23.91622 91.19230 25.44416 24.45235       34.91977 
1 1 1 -6  -18 16 o 315.8959 12.50221 2443.795       188.4433 0.000000       0.000000 2443.795       188.4433 ?        ?        315.8959 12.50221 0.000000       12.50221 
1 1 1 -6  -18 17 o 79.04308 19.68662 164.7345       74.11313 -3.323139      217.0320 186.9190       78.85321 71.36056 31.72008 84.16734 19.90970 -12.80678      37.45076 
1 1 1 -6  -18 18 o 125.1666 15.05186 394.3520       88.26606 659.8499       198.7509 329.1234       98.51395 154.2773 27.97620 112.5471 18.98326 41.73023       33.80875 
1 1 1 -6  -18 19 o 73.86484 24.64676 144.0153       102.0804 593.6096       192.0709 -32.97041      120.5093 144.6093 28.79396 51.60353 23.23391 93.00572       36.99874 
1 1 1 -6  -18 20 o 97.54085 18.45822 251.2484       82.92490 248.2954       201.4449 251.8509       90.99210 91.96030 34.24694 96.75816 20.31800 -4.797852      39.82053 
1 1 1 -6  -17 1  o 297.5343 7.155710 2123.433       101.7884 2161.483       136.6608 2076.024       152.5468 299.6391 9.551956 293.3368 10.89641 6.302277       14.49040 
1 1 1 -6  -17 2  o 258.3267 11.48233 1612.451       141.4559 1630.843       201.2852 1594.505       198.8351 258.3823 16.37879 255.4812 16.36497 2.901138       23.15334 
1 1 1 -6  -17 3  o 129.7171 10.18524 407.4973       62.65881 352.2419       88.35990 463.3902       88.86816 119.3822 15.87436 137.7074 13.67899 -18.32525      20.95496 
1 1 1 -6  -17 4  o 184.3963 10.12737 820.9653       88.93777 765.0903       123.5804 880.9975       128.0951 176.9953 14.73787 190.1514 14.19282 -13.15604      20.46071 
1 1 1 -6  -17 5  o 95.69305 11.10120 223.6937       49.84645 199.7478       75.86980 241.8801       66.11894 88.77644 18.47755 98.87502 14.41081 -10.09858      23.43270 
1 1 1 -6  -17 6  o 56.33051 16.54034 78.76648       47.46112 61.93033       63.13677 100.6414       71.96713 54.01195 19.31598 64.44462 20.64595 -10.43267      28.27300 
1 1 1 -6  -17 7  o 209.1077 11.26031 1058.208       112.1563 1034.222       169.6024 1076.850       149.5157 204.9619 17.47464 209.9642 14.99343 -5.002228      23.02533 
1 1 1 -6  -17 8  o 238.0784 11.56634 1372.029       131.2571 1376.552       194.3602 1368.237       177.9717 236.6681 17.29691 236.4706 15.83344 0.1974792      23.44954 
1 1 1 -6  -17 9  o 146.5206 12.30201 522.7798       85.38033 522.8393       171.3444 522.7602       98.47713 142.2043 26.16673 146.0553 14.28539 -3.851028      29.81225 
1 1 1 -6  -17 10 o 239.1770 9.860093 1380.177       112.5062 1669.546       201.5514 1249.203       135.5978 261.1227 16.22496 226.8692 12.55059 34.25342       20.51260 
1 1 1 -6  -17 11 f 274.5985 9.458717 1817.555       123.9909 2124.214       220.2475 1675.274       150.0224 294.8079 15.68299 262.9598 11.96459 31.84805       19.72581 
1 1 1 -6  -17 12 o 120.4704 13.56842 356.5521       76.79048 618.8861       127.2253 206.2117       96.31277 158.1064 17.10318 89.28648 22.55816 68.81992       28.30882 
1 1 1 -6  -17 13 o 42.34183 18.72788 -20.08050      74.73029 -247.4480      186.5312 23.39063       81.56199 52.64978 25.31360 50.60219 20.85852 2.047585       32.80025 
1 1 1 -6  -17 14 o 104.8738 18.32852 278.8880       88.55377 390.9590       143.7522 210.3517       112.4160 121.9965 25.47039 89.59685 25.19597 32.39970       35.82706 
1 1 1 -6  -17 15 o 39.86273 16.81425 6.097117       54.81905 149.2968       110.4479 -40.71079      63.14602 77.39509 25.63153 35.79738 16.39007 41.59771       30.42383 
1 1 1 -6  -17 16 o 162.8616 13.65498 651.5957       105.3428 578.5369       212.2450 675.4755       121.3436 145.4497 31.44027 165.1923 15.54732 -19.74257      35.07434 
1 1 1 -6  -17 17 o 99.98683 16.03724 252.0078       74.07127 51.98376       133.2724 341.4126       89.10039 64.89784 26.69802 116.5745 16.44320 -51.67663      31.35544 
1 1 1 -6  -17 18 o 47.19691 21.01232 -25.16515      95.61934 -209.8941      177.9585 49.81379       113.3759 52.03098 24.93971 60.64913 24.74997 -8.618156      35.13617 
1 1 1 -6  -17 19 f 50.05437 19.85453 39.49713       70.76440 577.8248       317.7083 11.39640       72.58786 133.0923 43.44152 45.68791 19.31374 87.40434       47.54141 
1 1 1 -6  -17 20 o 93.89468 18.63395 230.2424       80.69497 499.1021       202.4810 179.4773       87.98402 130.5271 32.55743 81.76115 22.02007 48.76594       39.30483 
1 1 1 -6  -17 21 o 60.00616 24.73249 50.99988       114.6570 89.45797       206.0159 33.74245       138.0050 76.48278 32.44378 61.84219 26.40428 14.64059       41.83043 
1 1 1 -6  -17 22 o 81.26577 23.13644 182.9387       94.19640 -166.6311      242.9154 244.8061       102.1925 62.79735 29.83122 94.01357 22.94189 -31.21622      37.63285 
1 1 1 -6  -16 1  o 108.8172 8.940231 286.2933       46.10110 265.2198       57.62742 323.7536       76.83267 104.2589 11.76665 114.8268 14.30504 -10.56791      18.52264 
1 1 1 -6  -16 2  o 201.0143 9.379695 973.0739       89.89281 1009.477       119.3100 925.2742       136.7153 204.2189 12.27672 194.9312 14.78006 9.287750       19.21375 
1 1 1 -6  -16 3  o 144.1604 9.958175 502.1029       68.21142 427.8398       102.0769 562.0192       91.68822 131.7100 16.57700 152.0739 12.72767 -20.36385      20.89953 
1 1 1 -6  -16 4  o 300.4097 12.45479 2181.312       178.4907 2215.910       253.7346 2147.420       251.1334 301.1097 17.70382 296.3669 17.80632 4.742859       25.10957 
1 1 1 -6  -16 5  o 97.90987 11.70712 234.3099       53.71569 132.9440       74.23695 345.6985       77.82062 72.62473 20.49339 118.7496 13.97459 -46.12489      24.80460 
1 1 1 -6  -16 6  o 38.92478 14.69216 26.81396       37.33807 -178.7258      92.94726 66.36495       40.77251 34.28817 16.79679 51.90340 15.35446 -17.61523      22.75724 
1 1 1 -6  -16 7  o 91.89701 14.15920 209.0820       60.21328 -105.9490      135.1956 287.0353       67.25170 50.63411 23.46850 108.1750 13.28218 -57.54092      26.96640 
1 1 1 -6  -16 8  o 289.1073 9.491838 2012.200       131.0173 2102.015       249.0512 1977.834       154.0576 292.9071 17.86989 286.2088 11.28088 6.698334       21.13271 
1 1 1 -6  -16 9  o 188.6630 11.51392 861.8666       103.3583 911.7673       173.2953 834.3147       128.7688 191.9710 19.13643 184.8692 14.68997 7.101807       24.12465 
1 1 1 -6  -16 10 o 126.7665 11.72808 391.2160       70.27308 360.3211       120.6628 407.0735       86.44655 118.9599 22.02706 128.7844 14.28001 -9.824440      26.25090 
1 1 1 -6  -16 11 f 119.9742 12.16207 351.3640       68.79684 279.2615       121.0511 385.7641       83.61292 103.7373 24.75367 125.3161 14.20623 -21.57883      28.54052 
1 1 1 -6  -16 12 o 75.48186 14.90811 143.1756       51.88951 373.1553       106.1189 70.90969       59.48601 121.9816 18.79975 55.52472 18.81656 66.45688       26.59875 
1 1 1 -6  -16 13 o 288.9442 12.95949 2025.725       178.5680 1948.348       262.6185 2092.261       243.5274 280.6580 19.69726 291.8886 17.53189 -11.23065      26.36948 
1 1 1 -6  -16 14 o 180.8573 11.63376 793.6194       100.0587 1001.079       160.9327 662.8863       127.7527 201.6839 16.84400 163.9481 16.52399 37.73576       23.59582 
1 1 1 -6  -16 15 o 97.50723 16.63283 238.8319       74.75793 61.31619       164.5040 285.0340       83.92458 72.11380 29.66366 106.6150 17.03837 -34.50118      34.20876 
1 1 1 -6  -16 16 o 188.8624 12.35272 869.0329       110.9242 677.1429       171.9414 1005.828       145.1745 162.8930 22.69380 202.3259 15.11756 -39.43285      27.26810 
1 1 1 -6  -16 17 o 326.8405 10.61704 2586.626       165.6804 2542.526       314.5064 2603.565       194.9199 318.3641 20.77668 327.1123 12.48674 -8.748199      24.24024 
1 1 1 -6  -16 18 o 72.91771 20.76245 136.9191       75.85256 303.7633       297.5012 125.3189       78.44517 109.2175 41.41579 70.23091 21.41785 38.98658       46.62608 
1 1 1 -6  -16 19 o 151.0873 15.50587 566.9764       110.4161 184.9934       208.2625 716.3285       130.2251 90.19968 34.54369 169.6974 16.24960 -79.49776      38.17481 
1 1 1 -6  -16 20 o 204.3962 14.62981 1034.121       142.0164 1043.033       241.3334 1029.400       175.6493 198.2168 26.10004 201.9502 18.39422 -3.733398      31.93054 
1 1 1 -6  -16 21 o 175.9803 16.40896 779.0005       136.4642 480.3024       374.5506 824.7200       146.5363 121.3151 46.35868 180.6918 17.16887 -59.37669      49.43579 
1 1 1 -6  -16 22 o 44.06141 21.29307 -186.0622      136.0814 -559.3402      393.7913 -135.4416      145.0152 68.61474 33.80273 49.08157 23.23750 19.53317       41.01958 
1 1 1 -6  -16 23 o 148.4441 16.33693 561.3907       114.0277 820.8832       246.0969 490.4506       128.6736 167.0081 31.98626 136.3873 20.35586 30.62076       37.91414 
1 1 1 -6  -16 24 f 130.9977 26.27952 488.6861       158.8545 311.4652       405.4429 520.8252       172.6589 100.6304 44.09652 134.0351 27.85444 -33.40472      52.15720 
1 1 1 -6  -15 1  o 280.8046 9.139893 1894.784       122.5391 1972.259       228.7831 1863.616       145.1088 284.7279 16.88261 278.1700 10.93255 6.557922       20.11326 
1 1 1 -6  -15 2  o 219.5275 10.64095 1161.414       111.3479 1153.304       158.6266 1169.291       156.3379 217.8138 15.33082 219.4040 14.99441 -1.590271      21.44450 
1 1 1 -6  -15 3  o 77.11594 12.72295 147.0678       45.27293 120.8545       59.67511 182.6143       69.49133 69.22836 17.89918 85.18378 17.64428 -15.95542      25.13366 
1 1 1 -6  -15 4  o 201.2696 9.187797 974.8389       88.17610 1054.642       144.2786 927.2611       111.4019 208.3421 14.57690 195.8295 11.95586 12.51260       18.85281 
1 1 1 -6  -15 5  o 48.88802 14.08774 59.04722       34.72074 39.25800       55.48709 71.78231       44.51216 47.21622 17.89041 54.03476 16.05787 -6.818546      24.04001 
1 1 1 -6  -15 6  o 88.46833 14.67042 194.2596       59.87699 115.5918       96.63783 243.2798       76.28457 70.65708 23.98277 98.78723 16.74979 -28.13015      29.25284 
1 1 1 -6  -15 7  f 417.6583 10.74199 4200.854       214.3156 4158.211       244.2686 4343.447       446.6750 415.0479 12.32374 419.6054 22.34659 -4.557556      25.51949 
1 1 1 -6  -15 8  o 324.4668 13.02397 2546.131       201.6223 2677.703       289.9351 2422.921       280.5695 330.8731 18.40115 314.5567 18.74160 16.31641       26.26499 
1 1 1 -6  -15 9  o 96.59138 14.22157 230.4544       63.71048 177.9753       98.71793 267.9159       83.40568 83.66946 23.63969 103.5527 17.46799 -19.88325      29.39329 
1 1 1 -6  -15 10 o 323.4977 8.643790 2515.406       133.5655 2856.196       220.1068 2316.773       168.0411 343.4236 13.43177 309.8292 11.36374 33.59439       17.59395 
1 1 1 -6  -15 11 o 132.6578 11.42291 427.3786       71.74174 433.0837       121.0711 424.2914       89.06183 131.5277 19.87293 131.5716 14.39318 -0.4391479E-01 24.53766 
1 1 1 -6  -15 12 o 145.3586 13.10275 515.1674       90.08019 448.7098       176.1566 538.6990       104.8219 130.9080 28.91882 148.2283 14.99764 -17.32034      32.57648 
1 1 1 -6  -15 13 o 49.91937 17.89237 52.32278       54.20530 165.4668       104.8821 11.08743       63.31704 81.01720 24.77662 43.67257 18.22240 37.34463       30.75608 
1 1 1 -6  -15 14 o 198.9891 12.83490 962.3249       121.4529 688.6157       195.0721 1135.588       155.2041 163.9413 25.73518 215.5597 15.15669 -51.61841      29.86678 
1 1 1 -6  -15 15 o 218.9964 10.98267 1160.003       114.6212 1239.172       179.2809 1105.270       149.0667 224.6400 16.81517 212.7538 14.74657 11.88628       22.36541 
1 1 1 -6  -15 16 o 167.1304 13.68342 682.0714       108.3785 710.9301       179.1219 665.4050       136.1224 167.5891 22.95893 163.9283 17.64631 3.660812       28.95695 
1 1 1 -6  -15 17 o 64.49533 18.92000 104.5668       62.12489 98.89394       104.1653 107.6986       77.39660 67.90546 24.74000 66.42361 21.42306 1.481850       32.72636 
1 1 1 -6  -15 18 o 125.5274 15.85756 391.6742       93.04654 685.2025       189.1319 297.9461       106.8746 162.7446 25.11533 107.4823 21.54924 55.26229       33.09304 
1 1 1 -6  -15 19 o 46.74721 21.97927 -119.4313      125.6864 -536.9265      306.9242 -35.31459      137.7674 61.25429 30.11097 56.58304 25.20447 4.671249       39.26749 
1 1 1 -6  -15 20 o 62.41320 25.21280 54.82760       116.2739 94.93706       196.1471 33.09713       144.3754 79.33862 32.48629 64.80788 27.30900 14.53074       42.43985 
1 1 1 -6  -15 21 o 32.78160 15.84991 -116.1623      75.63479 -352.5420      217.3852 -83.60624      80.67534 53.07159 25.93221 37.06849 17.48421 16.00310       31.27582 
1 1 1 -6  -15 22 f 201.7366 15.02677 1011.146       143.8891 1104.489       269.7733 974.0340       170.1055 201.3467 28.84822 196.1813 18.34935 5.165344       34.18945 
1 1 1 -6  -15 23 o 171.3816 14.43800 732.0219       117.1995 1001.967       254.5824 659.4269       132.0212 190.1838 28.90816 161.1197 17.41550 29.06415       33.74880 
1 1 1 -6  -15 24 o 107.0378 27.47210 324.1418       141.2814 773.5432       657.8710 302.4133       144.6566 131.8860 56.99638 102.8993 28.45152 28.98676       63.70303 
1 1 1 -6  -15 25 o 109.9078 20.48414 323.6877       103.6763 -278.6634      699.9950 337.1976       104.8325 92.94415 45.64567 112.3551 20.26144 -19.41097      49.94049 
1 1 1 -6  -15 26 o 68.88500 23.15643 127.5465       90.08935 67.73864       427.7055 130.3232       92.15689 87.96503 41.09632 69.53551 23.42089 18.42952       47.30165 
1 1 1 -6  -14 1  o 267.1230 8.400768 1712.153       107.1516 1243.227       197.5758 1907.544       127.5364 225.8066 18.46263 281.8264 9.478999 -56.01982      20.75380 
1 1 1 -6  -14 2  o 77.61017 10.84356 147.4378       39.13778 189.8043       58.16056 112.3759       52.90966 87.62292 14.38215 66.88434 16.61961 20.73859       21.97857 
1 1 1 -6  -14 3  o 319.4726 12.88006 2460.850       196.3218 2465.641       278.5531 2456.121       276.7376 318.3789 18.37828 317.7874 18.29204 0.5915527      25.92991 
1 1 1 -6  -14 4  o 276.5519 9.043570 1836.827       119.4099 1823.235       220.9096 1842.438       141.9317 273.9233 16.95158 276.7079 10.74920 -2.784576      20.07241 
1 1 1 -6  -14 5  o 54.12787 13.65953 73.38154       35.34320 20.40252       55.08042 110.4622       46.08070 43.07725 17.37044 66.34662 14.89364 -23.26937      22.88127 
1 1 1 -6  -14 6  o 179.2124 9.510723 773.3121       81.19553 888.9564       115.8494 661.6588       113.8328 191.6662 12.71458 164.8822 14.59106 26.78406       19.35354 
1 1 1 -6  -14 7  o 375.2917 10.17629 3387.435       182.4171 3481.795       214.6199 3141.853       346.2372 380.0829 11.82530 358.1671 20.30307 21.91571       23.49579 
1 1 1 -6  -14 8  o 190.3400 10.06836 873.2402       91.29555 956.6191       162.7718 834.9714       110.2741 197.6884 17.39961 185.6933 12.49407 11.99507       21.42074 
1 1 1 -6  -14 9  o 36.42279 14.43621 17.36294       37.38391 98.17079       81.28790 -4.312684      42.10027 65.18360 21.99651 33.44178 14.43527 31.74183       26.31014 
1 1 1 -6  -14 10 o 82.22829 13.62861 167.5802       51.70233 198.6923       98.00224 155.5815       60.86092 88.20236 23.00491 78.59698 16.71156 9.605377       28.43417 
1 1 1 -6  -14 11 o 190.3831 11.36997 876.1833       103.0180 1096.772       176.1800 761.5762       126.9904 211.5603 17.57725 176.6503 15.18372 34.91002       23.22725 
1 1 1 -6  -14 12 o 37.13474 16.82117 -35.12300      64.29513 -76.16406      88.62404 10.47966       93.41945 40.64521 18.89436 52.04985 21.95203 -11.40463      28.96357 
1 1 1 -6  -14 13 o 69.89988 23.03298 116.5772       89.22434 -81.04848      171.2486 190.2157       104.5341 60.58384 27.44680 86.30580 24.30584 -25.72196      36.66198 
1 1 1 -6  -14 14 o 142.7607 12.48446 496.0875       84.35277 493.4024       116.7913 499.0156       121.9624 141.1126 17.69991 141.7168 18.43768 -0.6042633     25.55846 
1 1 1 -6  -14 15 o 183.3169 12.34704 815.8954       107.5803 562.7855       172.4760 977.0762       137.6356 148.2090 25.24546 200.1307 14.48295 -51.92169      29.10479 
1 1 1 -6  -14 16 o 182.8684 11.50255 810.6108       100.0543 873.6588       149.5882 759.5695       134.5930 188.4476 16.77873 175.7912 16.19661 12.65639       23.32071 
1 1 1 -6  -14 17 o 121.5294 14.83085 364.1248       84.38706 481.1252       172.8455 327.5086       96.69440 135.7727 27.57028 114.2467 18.32221 21.52594       33.10323 
1 1 1 -6  -14 18 o 221.8510 11.98673 1193.644       126.6644 1218.110       189.2735 1173.800       170.4609 222.1625 17.97346 218.6256 16.42872 3.536880       24.35053 
1 1 1 -6  -14 19 o 127.6247 15.91425 403.9954       94.99818 407.7211       133.8327 400.2119       134.8687 125.8625 23.09188 124.5185 23.51697 1.344017       32.95881 
1 1 1 -6  -14 20 o 287.8885 15.21758 2033.356       208.7050 1923.193       376.0054 2082.409       250.9042 270.6471 29.53802 289.7645 18.20347 -19.11746      34.69670 
1 1 1 -6  -14 21 o 120.7304 16.65630 365.2417       93.58092 464.6880       225.7722 344.6122       102.8302 128.3308 35.56788 116.3749 19.14751 11.95592       40.39432 
1 1 1 -6  -14 22 o 134.4511 16.55334 452.1970       104.1604 -56.70356      232.2065 580.3882       116.5433 71.43784 32.20005 152.6697 16.21478 -81.23187      36.05222 
1 1 1 -6  -14 23 o 142.5842 16.81305 511.2479       112.4099 470.2288       368.4851 515.4568       118.0363 123.7165 46.26955 142.8207 17.66290 -19.10420      49.52625 
1 1 1 -6  -14 24 o 126.2797 18.69102 410.3141       109.4398 -212.0419      403.2659 459.7942       113.7070 81.54150 38.64823 134.0244 18.21690 -52.48295      42.72636 
1 1 1 -6  -14 25 o 129.9065 24.50722 458.2954       146.6271 457.8440       424.0017 458.3568       156.2685 116.9580 47.81179 128.8089 26.26704 -11.85085      54.55204 
1 1 1 -6  -14 26 o 88.94315 23.07843 218.2576       98.96951 801.5607       594.3282 201.6212       100.3709 129.9034 55.10506 85.29689 23.74332 44.60648       60.00261 
1 1 1 -6  -14 27 o 86.86897 23.53426 212.9015       100.1447 -160.9625      448.4285 232.5262       102.7394 81.07443 39.04835 90.81399 23.48863 -9.739555      45.56851 
1 1 1 -6  -13 1  o 353.9499 8.917899 3003.987       150.7880 3165.000       174.2973 2524.965       300.6345 363.1690 10.04827 322.5295 19.58906 40.63947       22.01587 
1 1 1 -6  -13 2  o 207.5748 8.685626 1034.269       86.00494 1209.095       113.7309 800.7560       131.4410 224.2435 10.63874 181.7192 15.27053 42.52432       18.61107 
1 1 1 -6  -13 3  o 320.5374 9.102364 2464.886       139.3482 2559.194       164.1418 2221.516       263.6806 326.4202 10.53180 302.6053 18.31178 23.81488       21.12440 
1 1 1 -6  -13 4  o 304.0465 12.50407 2225.797       181.3728 2214.541       257.4541 2236.886       255.5562 302.1423 17.90322 303.7235 17.67585 -1.581238      25.15872 
1 1 1 -6  -13 5  o 132.8407 9.793103 425.6233       61.75837 388.7698       89.45349 459.1879       85.36867 126.1070 15.13946 137.5386 13.14235 -11.43162      20.04806 
1 1 1 -6  -13 6  o 85.33058 11.01845 177.7555       43.90215 191.8284       66.32742 166.7827       58.56808 87.73227 16.41669 81.81657 15.54119 5.915695       22.60611 
1 1 1 -6  -13 7  o 294.7485 12.19626 2093.349       171.4934 2225.476       246.4518 1969.314       238.7863 302.7849 17.09452 284.6278 17.63445 18.15714       24.56006 
1 1 1 -6  -13 8  o 141.2727 11.60632 483.1861       77.69944 433.6740       140.6393 504.9377       93.21725 131.2660 23.26169 144.0905 13.69620 -12.82455      26.99430 
1 1 1 -6  -13 9  o 66.41555 20.37357 107.8898       70.84802 58.83989       136.8585 125.8467       82.80719 68.19176 27.42184 71.62860 22.03589 -3.436844      35.17865 
1 1 1 -6  -13 10 o 134.1597 11.53509 436.3850       73.26871 382.9249       115.6923 472.1854       94.67457 123.7361 20.25720 139.0612 14.45078 -15.32504      24.88331 
1 1 1 -6  -13 11 o 193.6842 11.00254 905.6223       101.4625 1002.415       152.7036 829.1127       135.7647 202.7676 15.87881 184.3753 15.54667 18.39226       22.22241 
1 1 1 -6  -13 12 o 220.6351 10.56284 1173.769       111.0965 1102.838       179.4446 1217.856       141.4697 212.1428 17.85835 224.2020 13.25741 -12.05919      22.24139 
1 1 1 -6  -13 13 o 344.2532 10.14341 2852.675       166.7618 2904.801       329.3838 2834.709       193.3770 343.9327 20.11968 342.7426 11.81894 1.190125       23.33428 
1 1 1 -6  -13 14 o 100.2262 15.86293 249.5850       73.48306 168.7216       97.37565 356.5461       111.9921 81.63216 23.61336 119.0318 20.41411 -37.39967      31.21420 
1 1 1 -6  -13 15 o 176.5986 12.49843 756.7841       104.8422 624.3251       165.8934 844.8715       135.2838 157.5340 22.67917 185.9645 15.35290 -28.43045      27.38716 
1 1 1 -6  -13 16 o 357.4894 14.24104 3103.256       242.9088 3171.883       347.4708 3037.661       339.7104 358.5475 20.35405 350.8650 20.33883 7.682465       28.77422 
1 1 1 -6  -13 17 o 102.7339 14.48840 261.0394       69.18756 178.5160       110.3922 314.4257       88.79012 83.86682 25.37299 112.2792 17.07833 -28.41242      30.58525 
1 1 1 -6  -13 18 o 289.9853 11.90313 2035.731       164.6726 2083.280       223.7133 1979.500       243.2798 291.8535 16.09546 283.6514 18.03296 8.202057       24.17130 
1 1 1 -6  -13 19 o 153.7973 14.01248 578.7465       101.9017 383.2838       146.2485 763.1848       142.0643 121.3390 25.99323 175.8758 17.11155 -54.53687      31.11998 
1 1 1 -6  -13 20 o 118.1705 14.94430 345.2344       82.54439 237.7112       139.4367 403.2450       102.4188 95.48046 28.43225 127.1953 17.28945 -31.71481      33.27638 
1 1 1 -6  -13 21 o 231.5633 12.72180 1306.077       140.2991 1455.867       244.4561 1232.503       171.3244 240.5187 21.48503 223.6648 16.13022 16.85396       26.86616 
1 1 1 -6  -13 22 o 124.7677 17.66382 391.4108       102.4220 552.1564       357.7090 377.0554       106.8976 135.9701 46.14151 121.9787 18.94497 13.99136       49.87936 
1 1 1 -6  -13 23 o 89.30437 28.04246 209.8122       133.3449 -38.27734      375.2248 245.6723       142.6569 90.26682 40.78691 95.76781 28.81526 -5.500992      49.93888 
1 1 1 -6  -13 24 o 47.73552 20.27454 8.890626       80.62337 432.9817       394.0538 -9.637925      82.36577 121.8331 47.28833 45.62844 19.93769 76.20462       51.31956 
1 1 1 -6  -13 25 o 116.3152 26.92244 372.5900       146.7497 239.8515       410.4628 392.0436       157.1357 105.0096 45.19833 118.7321 28.11859 -13.72254      53.23104 
1 1 1 -6  -13 26 o 47.28917 20.37451 3.966243       83.56674 203.3337       261.8224 -18.64732      88.17882 92.29076 37.63056 45.58778 20.24394 46.70298       42.73027 
1 1 1 -6  -13 27 o 74.01791 23.39866 147.4248       92.69104 225.1293       271.4995 137.1729       98.61624 93.02762 38.17031 72.11311 24.22742 20.91451       45.20996 
1 1 1 -6  -13 28 o 211.5263 16.19253 1144.826       162.5074 1506.167       312.7497 1011.184       190.1996 226.8190 29.54224 194.7226 20.75006 32.09641       36.10137 
1 1 1 -6  -12 1  o 102.6291 9.563974 254.5313       46.38621 234.9036       66.69424 272.9217       64.55792 97.79337 14.72101 105.8378 13.03349 -8.044441      19.66164 
1 1 1 -6  -12 2  o 409.3893 7.498809 4012.155       146.7699 3453.914       208.7368 4558.024       206.4108 379.2972 11.52432 436.1176 9.899666 -56.82037      15.19254 
1 1 1 -6  -12 3  o 637.7709 7.896567 9739.241       240.7750 9746.994       342.5388 9731.669       338.5114 637.4854 11.23909 637.0073 11.11528 0.4780884      15.80717 
1 1 1 -6  -12 4  f 407.8287 9.442930 3985.723       184.1166 3952.551       416.6095 3993.774       205.2481 403.4494 21.67851 407.9833 10.53153 -4.533875      24.10127 
1 1 1 -6  -12 5  o 330.2096 13.15301 2623.911       207.2305 2618.393       293.9969 2629.361       292.1482 328.7328 18.78464 329.4604 18.62361 -0.7275391     26.45187 
1 1 1 -6  -12 6  o 379.3495 14.42926 3467.748       261.2159 3530.964       370.4162 3405.212       368.4219 381.2867 20.39450 374.3372 20.66629 6.949463       29.03500 
1 1 1 -6  -12 7  f 394.4843 9.630349 3731.882       181.6269 4071.323       406.1012 3647.006       203.0686 409.1315 20.83026 389.6453 10.91171 19.48627       23.51521 
1 1 1 -6  -12 8  o 407.6054 15.10597 4010.650       293.8631 4276.779       417.9387 3750.434       413.2709 419.0767 20.92603 391.9404 22.14506 27.13626       30.46805 
1 1 1 -6  -12 9  o 61.33997 18.88265 91.23833       60.79237 148.0783       82.95204 25.29098       89.35090 76.91826 21.64828 53.48757 21.91641 23.43069       30.80547 
1 1 1 -6  -12 10 o 254.1780 11.70656 1556.896       141.8756 1617.193       206.1134 1502.601       195.5851 257.9813 16.80271 248.6975 16.54368 9.283768       23.58016 
1 1 1 -6  -12 11 o 266.1746 11.96392 1708.585       151.8577 1776.192       220.1081 1647.173       209.7824 270.1748 17.12870 260.1848 16.95709 9.990051       24.10260 
1 1 1 -6  -12 12 o 94.37134 15.63159 221.1014       68.05965 232.5190       154.8519 218.3677       75.77038 96.40828 30.21176 93.35951 17.62173 3.048767       34.97535 
1 1 1 -6  -12 13 o 106.5322 14.28549 279.0874       70.92640 334.4384       93.94005 205.6998       108.1682 116.0770 17.46858 89.79670 24.51380 26.28027       30.10112 
1 1 1 -6  -12 14 f 236.3080 10.42511 1345.837       117.4891 1400.883       189.9040 1311.703       149.5445 239.6022 16.68230 232.6423 13.50342 6.959915       21.46256 
1 1 1 -6  -12 15 o 143.5435 11.57857 499.6693       78.78601 428.8719       118.7841 555.2797       105.2755 131.1111 19.54647 150.7226 14.80032 -19.61156      24.51762 
1 1 1 -6  -12 16 o 281.2839 12.46044 1913.803       167.1505 1968.470       240.6851 1862.873       232.3102 283.5527 17.84494 275.8637 17.70782 7.688965       25.13979 
1 1 1 -6  -12 17 o 59.63437 18.59661 86.64040       58.74686 255.0840       97.46489 -9.475861      73.62399 100.0516 21.04403 43.65709 18.96620 56.39454       28.32963 
1 1 1 -6  -12 18 o 130.2806 17.45914 421.5926       106.0104 409.0040       181.0053 428.1653       130.7889 124.2806 30.65672 130.0096 21.81391 -5.728989      37.62553 
1 1 1 -6  -12 19 o 230.4181 11.64668 1285.672       127.8841 1433.897       202.5099 1187.354       164.9310 241.4104 17.66851 220.2225 15.76944 21.18790       23.68230 
1 1 1 -6  -12 20 o 218.9689 12.19285 1163.192       127.1386 1291.741       193.1820 1064.971       168.8641 228.9519 17.78822 207.9965 17.13316 20.95537       24.69749 
1 1 1 -6  -12 21 o 152.4210 17.52691 576.4089       125.3980 508.9794       223.9183 607.2185       151.3589 136.8440 34.29719 155.3384 20.91144 -18.49445      40.16946 
1 1 1 -6  -12 22 o 374.1714 15.33390 3426.720       273.7224 3346.267       397.3521 3499.377       377.6062 364.5590 22.91404 374.1921 21.19412 -9.633057      31.21288 
1 1 1 -6  -12 23 o 235.8725 14.60602 1365.030       163.9011 1916.220       404.2529 1256.599       179.2991 267.3748 32.27689 225.3562 16.76183 42.01854       36.36972 
1 1 1 -6  -12 24 o 169.6228 16.34087 715.0941       130.8777 728.5094       397.5319 713.4633       138.6047 151.6002 48.51918 169.0011 17.40309 -17.40091      51.54589 
1 1 1 -6  -12 25 o 217.7040 14.52211 1168.484       150.2844 1364.141       295.4824 1100.210       174.5466 226.6278 27.85694 209.7525 17.56710 16.87529       32.93345 
1 1 1 -6  -12 26 o 188.0962 17.10126 890.9810       152.1064 1116.938       294.4120 808.7074       177.6530 199.3218 31.97619 176.5988 21.48294 22.72301       38.52264 
1 1 1 -6  -12 27 o 81.97820 23.69444 182.3771       98.08189 -2.522503      273.4515 209.6770       105.0735 77.51242 34.94010 87.52027 24.26723 -10.00785      42.54067 
1 1 1 -6  -12 28 o 51.12344 21.62784 20.61852       91.13783 5.253462       278.5912 22.45995       96.44455 77.33501 35.02446 52.52674 22.23631 24.80827       41.48695 
1 1 1 -6  -12 29 o 87.11896 27.15938 220.9058       125.3117 224.8750       182.5445 217.3683       172.3312 87.47312 32.59592 86.29622 31.75968 1.176903       45.51012 
1 1 1 -6  -11 1  o 380.2906 14.44198 3478.267       262.0962 3298.382       370.8057 3657.869       370.5143 369.0260 21.10552 388.9300 19.99333 -19.90405      29.07191 
1 1 1 -6  -11 2  o 376.7330 8.890785 3398.819       160.1335 2869.607       341.6874 3547.768       181.2734 344.1581 20.86448 384.6941 9.864352 -40.53595      23.07882 
1 1 1 -6  -11 3  o 272.6307 8.611437 1781.588       112.1021 1485.267       203.3001 1911.049       134.3774 247.8196 17.26708 282.2446 9.974138 -34.42506      19.94080 
1 1 1 -6  -11 4  o 590.4854 20.71216 8430.272       583.8079 8065.077       825.9454 8794.909       825.3129 573.8839 30.21004 599.9707 28.85729 -26.08679      41.77786 
1 1 1 -6  -11 5  o 340.7735 7.633241 2779.936       124.3607 2550.213       178.5284 2996.480       173.3318 325.8949 11.47625 353.4435 10.26859 -27.54855      15.39961 
1 1 1 -6  -11 6  o 624.7540 7.991885 9345.708       238.7078 9163.759       342.6189 9517.342       332.7645 618.0806 11.59466 629.9923 11.04825 -11.91174      16.01561 
1 1 1 -6  -11 7  o 269.4591 11.88102 1745.740       152.6814 1748.875       218.9319 1742.772       213.0368 268.8699 17.12066 268.4796 16.67959 0.3903198      23.90242 
1 1 1 -6  -11 8  o 230.7881 11.14284 1280.918       122.5837 1352.052       178.1891 1217.005       168.9025 236.4141 15.85689 224.2423 15.85697 12.17184       22.42508 
1 1 1 -6  -11 9  o 165.8392 10.89863 662.8435       85.93178 601.0151       129.6713 711.2570       114.7448 156.8055 17.60061 171.3559 14.13188 -14.55043      22.57192 
1 1 1 -6  -11 10 o 305.4028 12.94793 2247.182       188.6232 2161.809       270.6375 2327.825       263.0321 298.1628 19.08589 309.7694 17.83619 -11.60654      26.12280 
1 1 1 -6  -11 11 o 422.6951 10.95778 4294.409       221.2544 4289.202       254.3591 4310.601       448.5051 422.0642 12.61968 419.8791 22.42399 2.185120       25.73114 
1 1 1 -6  -11 12 o 320.9375 10.72062 2477.389       164.2627 2526.702       204.0025 2386.470       277.0007 323.6067 13.21369 313.0580 18.59122 10.54861       22.80866 
1 1 1 -6  -11 13 o 226.2227 10.28794 1232.168       110.9775 1198.943       175.9061 1254.137       143.0359 221.8461 16.70799 227.7138 13.19507 -5.867691      21.29006 
1 1 1 -6  -11 14 o 278.9179 10.30688 1872.708       137.2032 2056.073       239.7316 1783.391       167.3148 290.4618 17.34243 271.6316 12.92089 18.83017       21.62659 
1 1 1 -6  -11 15 o 200.0751 11.20519 966.6987       106.7535 963.5665       165.8000 968.9167       139.5222 198.2682 17.67652 199.5746 14.72651 -1.306396      23.00716 
1 1 1 -6  -11 16 o 244.7304 11.84034 1446.940       138.1243 1468.109       200.3334 1427.758       190.6971 245.1004 17.20556 241.8783 16.59117 3.222076       23.90184 
1 1 1 -6  -11 17 o 210.4969 11.90576 1071.933       119.3265 927.5126       175.9777 1194.853       162.3512 193.8520 19.24170 221.4073 15.43416 -27.55530      24.66690 
1 1 1 -6  -11 18 o 177.7669 12.51618 766.9316       105.6930 651.5480       152.8558 872.6364       146.3042 161.7646 20.20399 188.7147 16.37797 -26.95013      26.00845 
1 1 1 -6  -11 19 o 167.5345 13.36606 683.7081       106.1701 728.1268       152.7606 642.2040       147.6635 171.3618 18.96308 160.6015 19.63976 10.76033       27.30052 
1 1 1 -6  -11 20 o 25.02018 12.43644 -141.8295      57.81794 -262.4305      114.7072 -100.7530      66.94405 35.85368 17.76869 31.26042 15.06400 4.593252       23.29486 
1 1 1 -6  -11 21 o 203.2387 13.88381 1007.182       134.0934 1451.793       233.3961 788.1091       163.8318 241.6478 20.39253 177.8696 19.58986 63.77821       28.27752 
1 1 1 -6  -11 22 o 35.81338 16.55501 -52.05256      66.61168 -243.5612      127.2768 20.19081       78.17252 39.87084 19.55708 49.32355 20.38470 -9.452717      28.24916 
1 1 1 -6  -11 23 o 279.1732 11.98140 1891.328       159.5429 1846.032       265.8327 1916.829       199.4592 271.8747 20.60521 279.8913 14.96018 -8.016632      25.46334 
1 1 1 -6  -11 24 o 154.5598 15.25764 590.5074       111.2747 1532.701       258.2213 375.6432       123.3116 245.9567 22.19830 120.5706 22.21028 125.3861       31.40161 
1 1 1 -6  -11 25 o 204.2612 14.88977 1028.413       144.4073 1042.386       288.4344 1023.739       166.8205 195.7358 31.92169 202.6974 17.38210 -6.961594      36.34737 
1 1 1 -6  -11 26 o 145.5415 21.54550 546.0377       145.3947 676.3823       272.0825 493.9394       172.0146 152.2144 37.60950 135.3302 27.52484 16.88423       46.60570 
1 1 1 -6  -11 27 o 184.3027 15.68208 849.0948       136.8685 1104.757       297.5321 780.4726       154.1464 197.4870 32.65292 175.0483 18.70878 22.43867       37.63285 
1 1 1 -6  -11 28 o 143.0667 16.01446 518.0734       107.6593 886.4000       192.5052 350.4456       129.8671 183.1546 22.45363 113.0466 24.71930 70.10800       33.39475 
1 1 1 -6  -11 29 o 89.17838 22.54629 218.0179       96.16467 236.4610       180.9210 210.7555       113.5302 90.76685 32.66912 86.70412 25.61445 4.062729       41.51351 
1 1 1 -6  -11 30 o 129.5791 19.15900 445.7325       115.1171 662.3589       201.6138 340.9470       140.2216 149.5155 29.25304 107.6923 27.22457 41.82324       39.96145 
1 1 1 -6  -10 1  o 296.0296 8.944915 2100.275       126.4507 2100.649       148.2241 2099.277       242.3634 295.9117 10.49389 294.9210 17.26460 0.9906616      20.20366 
1 1 1 -6  -10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -10 4  o 390.9290 9.835952 3663.269       183.6867 3554.520       205.6594 4092.172       408.4286 384.9228 11.18736 411.2806 20.83950 -26.35782      23.65252 
1 1 1 -6  -10 5  o 404.5706 9.288376 3920.171       179.6563 3644.808       401.3461 3989.174       200.9091 387.8457 21.73162 407.8952 10.31077 -20.04950      24.05359 
1 1 1 -6  -10 6  o 550.3079 7.943491 7249.734       208.9900 6923.563       299.9858 7557.328       291.3177 537.3323 11.67748 561.5071 10.85184 -24.17480      15.94133 
1 1 1 -6  -10 7  o 338.5233 13.65461 2756.084       220.5384 2539.728       313.5588 2967.891       310.2443 323.7227 20.36307 350.4267 18.58463 -26.70398      27.56888 
1 1 1 -6  -10 8  o 376.3777 14.49059 3409.216       260.2594 3415.948       370.3679 3402.650       365.7993 375.4403 20.71431 374.7604 20.49449 0.6799316      29.13943 
1 1 1 -6  -10 9  o 202.6190 10.21391 986.6342       98.62289 957.1137       154.7443 1006.827       127.9832 198.7087 16.43568 204.3310 13.17134 -5.622330      21.06219 
1 1 1 -6  -10 10 o 179.9429 10.93216 779.6221       93.60414 770.8319       139.5951 786.8031       126.1727 178.0874 16.58635 180.2417 14.77153 -2.154236      22.21047 
1 1 1 -6  -10 11 o 461.4390 16.71128 5144.435       368.0565 5381.723       523.1702 4911.912       517.8909 469.6181 23.37529 448.2485 24.25672 21.36957       33.68669 
1 1 1 -6  -10 12 o 470.8216 8.155644 5312.191       183.5790 5379.916       266.8861 5251.370       252.9166 473.1702 11.79778 467.5807 11.31390 5.589478       16.34601 
1 1 1 -6  -10 13 o 274.1920 9.283064 1805.650       121.5144 1676.674       181.4507 1910.526       163.6232 263.3097 14.46959 281.5808 12.18323 -18.27106      18.91560 
1 1 1 -6  -10 14 o 326.3759 10.41526 2561.748       162.3080 2976.486       308.7954 2403.427       190.7886 349.6143 18.54082 315.6601 12.66798 33.95416       22.45528 
1 1 1 -6  -10 15 o 208.8678 11.05895 1052.319       110.0382 1276.880       168.6987 886.0233       145.1727 229.1997 15.48626 190.6042 16.08090 38.59552       22.32532 
1 1 1 -6  -10 16 o 314.4315 12.93544 2389.553       194.0382 2688.706       278.9427 2109.078       270.0941 332.0361 17.63525 293.3530 19.36657 38.68314       26.19286 
1 1 1 -6  -10 17 o 183.5511 12.47496 816.4370       108.8218 952.9135       184.9490 744.1697       134.5841 196.4078 19.97388 174.3378 16.33741 22.07008       25.80439 
1 1 1 -6  -10 18 o 137.8602 12.94287 462.9607       84.30792 324.0480       131.9818 558.7161       109.5782 112.1514 25.22784 151.0231 15.39142 -38.87166      29.55232 
1 1 1 -6  -10 19 o 452.5570 10.89733 4934.619       235.7772 5437.968       532.4376 4811.838       262.9658 467.5882 23.89679 446.2324 12.33806 21.35580       26.89395 
1 1 1 -6  -10 20 o 258.1375 12.59460 1614.765       154.9641 1755.231       234.9489 1506.607       206.1659 267.1021 18.51329 247.7478 17.51897 19.35425       25.48835 
1 1 1 -6  -10 21 o 310.9059 11.40595 2337.135       169.2513 2624.837       299.6136 2202.299       205.1131 326.1442 19.30145 300.8144 14.30317 25.32980       24.02346 
1 1 1 -6  -10 22 f 40.66154 18.02766 -21.23712      69.65191 -79.94449      127.5189 3.725197       83.15163 50.64685 23.22717 48.17470 20.53000 2.472157       30.99972 
1 1 1 -6  -10 23 o 105.2792 22.54323 285.8610       110.0451 406.4919       154.6050 161.9859       156.6701 124.5855 26.75562 84.22952 30.38988 40.35600       40.48960 
1 1 1 -6  -10 24 o 143.4416 15.99043 509.4137       107.7964 686.8901       205.7306 442.2492       126.5605 162.0362 27.54167 131.9737 20.74220 30.06252       34.47872 
1 1 1 -6  -10 25 o 258.4464 15.43457 1643.552       189.8412 2524.243       439.2499 1441.260       210.5181 308.9813 30.11703 240.4873 18.45095 68.49399       35.31958 
1 1 1 -6  -10 26 o 160.1528 21.60127 657.0128       161.1816 1202.621       372.4875 531.3148       178.7867 203.8494 39.64810 140.8931 27.52972 62.95627       48.26860 
1 1 1 -6  -10 27 o 166.7262 19.97585 707.9721       156.0612 780.7519       286.4843 677.2615       186.0972 163.6992 37.42323 160.2878 25.10835 3.411423       45.06582 
1 1 1 -6  -10 28 o 48.14184 21.24949 -15.05130      95.73565 458.2546       284.4057 -75.53540      101.6689 120.6530 41.13982 43.52985 20.23595 77.12311       45.84734 
1 1 1 -6  -10 29 o 48.48110 21.42911 -13.52227      97.68629 76.01326       295.8024 -24.48228      103.4926 84.28123 37.26966 48.65387 21.74720 35.62736       43.15053 
1 1 1 -6  -10 30 o 148.6776 18.86315 576.7469       131.0674 1302.546       330.7890 441.5789       142.7512 206.6492 34.71122 126.2789 24.52935 80.37031       42.50363 
1 1 1 -6  -10 31 f 61.38105 24.45005 77.41018       107.7495 21.21894       355.7599 83.08524       113.0598 80.99237 37.71958 62.89964 25.04847 18.09273       45.27906 
1 1 1 -6  -9  1  o 19.22712 8.332658 -2.223504      14.14038 -7.517734      17.51537 7.684790       23.96169 20.07159 8.960800 28.20572 11.42702 -8.134127      14.52146 
1 1 1 -6  -9  2  o 191.8589 8.129904 882.7113       74.40295 896.7524       92.99355 857.7343       124.0289 193.2168 10.10208 188.5438 13.85628 4.673004       17.14784 
1 1 1 -6  -9  3  o 393.9826 7.225060 3714.512       136.0902 3806.861       194.2341 3625.462       190.7347 398.5063 10.20327 388.8827 10.26793 9.623688       14.47540 
1 1 1 -6  -9  4  o 120.1245 9.362094 347.6542       53.34236 326.9807       76.78621 366.9364       74.15743 115.8649 14.15549 123.0297 12.79437 -7.164772      19.08072 
1 1 1 -6  -9  5  o 511.5743 18.20862 6307.684       444.6323 5810.110       628.7880 6805.311       628.8221 488.5319 27.02705 529.5333 24.90836 -41.00143      36.75443 
1 1 1 -6  -9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -9  7  o 548.1063 19.56989 7251.433       511.9928 6777.662       724.9105 7723.005       723.2268 526.8681 28.88945 563.2669 26.93470 -36.39880      39.49783 
1 1 1 -6  -9  8  o 32.61248 14.11448 -5.639257      40.46107 -76.09482      70.26755 29.30851       49.48879 34.89205 16.41429 43.47417 16.78971 -8.582127      23.48028 
1 1 1 -6  -9  9  o 274.8596 9.590902 1812.130       125.8383 1451.636       220.2246 1986.898       153.3368 244.6497 18.97665 287.6541 11.17105 -43.00443      22.02057 
1 1 1 -6  -9  10 o 344.7716 14.08273 2860.622       231.6390 2550.697       330.5015 3159.852       324.7483 324.0609 21.45310 361.4491 18.85802 -37.38818      28.56327 
1 1 1 -6  -9  11 o 331.6693 9.805756 2638.995       155.3165 2458.319       294.7820 2708.427       182.7390 318.4191 19.45681 335.7992 11.39917 -17.38007      22.55014 
1 1 1 -6  -9  12 o 326.9130 10.17126 2565.596       158.7766 2757.664       301.1948 2491.681       186.8469 337.2610 18.75368 321.8699 12.16408 15.39111       22.35320 
1 1 1 -6  -9  13 o 93.95921 13.49798 216.6689       58.89569 353.7794       89.64680 112.5508       78.12007 120.0721 16.01556 68.37006 21.46322 51.70200       26.78000 
1 1 1 -6  -9  14 o 248.6663 10.48714 1487.292       124.3959 1847.718       174.5138 1114.990       177.3658 276.7364 13.22862 213.9672 17.49111 62.76915       21.93023 
1 1 1 -6  -9  15 o 348.6121 10.46054 2922.123       174.1460 3189.926       339.1146 2826.204       202.9505 361.6272 19.68876 342.4287 12.41742 19.19849       23.27745 
1 1 1 -6  -9  16 o 282.4355 9.909974 1918.715       133.6062 2139.143       207.2708 1762.017       174.7578 297.1785 14.63356 269.8985 13.58710 27.28000       19.96873 
1 1 1 -6  -9  17 o 175.6867 11.87577 746.9905       99.16295 766.7804       150.4893 731.8036       131.8309 176.6136 18.07745 172.9904 16.12569 3.623260       24.22462 
1 1 1 -6  -9  18 o 234.0740 12.28160 1325.070       136.9602 1444.039       210.5267 1237.772       180.3400 242.7259 18.27614 225.0433 16.88480 17.68260       24.88200 
1 1 1 -6  -9  19 f 210.2472 12.19055 1070.014       122.0100 1181.103       184.5647 983.7820       162.6095 219.4474 17.74297 200.3329 17.14254 19.11446       24.67143 
1 1 1 -6  -9  20 o 94.92569 17.35473 226.2503       75.85934 161.5592       124.2083 264.7359       95.80270 81.74880 27.18488 102.1391 20.33410 -20.39028      33.94839 
1 1 1 -6  -9  21 o 173.3487 13.95756 733.0398       114.6976 820.5435       163.6583 648.5728       160.7935 181.9462 19.09859 160.7662 21.45534 21.18007       28.72434 
1 1 1 -6  -9  22 o 200.4203 14.09794 979.9113       134.2228 1281.847       256.6700 866.2635       157.4701 225.2759 24.21107 187.2438 17.80468 38.03209       30.05299 
1 1 1 -6  -9  23 o 113.8897 26.02810 339.3159       138.6173 -188.6142      257.2241 555.3790       164.5560 68.67937 32.01467 147.2130 24.22252 -78.53362      40.14560 
1 1 1 -6  -9  24 o 341.4693 14.59806 2843.571       237.7672 2929.765       348.9793 2768.895       324.8257 342.7686 21.40242 333.7916 20.45299 8.976990       29.60385 
1 1 1 -6  -9  25 o 268.7090 13.78872 1762.409       176.5468 1671.476       266.0020 1834.002       236.0268 257.7267 21.79229 272.0426 18.25310 -14.31595      28.42674 
1 1 1 -6  -9  26 o 146.9921 17.89031 542.0103       123.1383 202.7914       178.9762 846.9162       169.6830 90.68146 32.51094 183.3663 19.66248 -92.68481      37.99440 
1 1 1 -6  -9  27 o 58.02377 25.53758 -16.03410      137.3403 -34.57717      164.6112 26.44172       249.1377 61.65449 27.50148 79.59259 34.72896 -17.93810      44.29935 
1 1 1 -6  -9  28 o 131.5637 25.32401 462.4056       153.5055 267.7395       187.8552 853.6077       266.3047 98.82712 33.43869 174.1813 33.19073 -75.35420      47.11444 
1 1 1 -6  -9  29 o 201.2336 16.70658 1021.011       159.2817 837.7524       240.7893 1163.592       212.3907 172.4455 30.31219 211.6076 21.28277 -39.16208      37.03762 
1 1 1 -6  -9  30 o 101.8710 27.19267 295.0703       134.9103 492.3117       214.2453 165.4705       173.6659 126.6057 34.47406 81.57499 31.46582 45.03072       46.67503 
1 1 1 -6  -9  31 o 64.38890 27.55680 47.90582       150.9595 -785.6411      366.5804 218.1279       165.6579 58.45166 29.38307 86.80224 31.25835 -28.35058      42.90046 
1 1 1 -6  -9  32 f 121.9614 29.77616 458.6497       172.0841 1055.936       384.4095 308.9565       192.4437 159.1071 47.16621 96.78547 33.80341 62.32160       58.02864 
1 1 1 -6  -8  1  o 509.9858 9.530109 6231.957       232.3616 5985.184       611.5370 6273.595       251.2013 495.4100 25.90966 511.5888 10.27052 -16.17883      27.87103 
1 1 1 -6  -8  2  o 190.6596 7.662067 871.5862       69.69917 643.4816       117.0899 996.7689       86.74103 162.9182 15.20859 203.8105 8.923672 -40.89235      17.63330 
1 1 1 -6  -8  3  o 677.4108 10.51625 10996.73       340.5816 11018.48       360.2323 10813.47       1045.473 677.9821 11.11364 663.6976 33.05240 14.28442       34.87082 
1 1 1 -6  -8  4  o 583.0354 9.830101 8142.539       274.0067 7421.685       769.1935 8247.309       293.2436 551.4620 29.27999 586.6954 10.45460 -35.23340      31.09046 
1 1 1 -6  -8  5  o 342.3326 13.40391 2816.126       218.9516 2778.062       310.4196 2853.813       308.8748 339.0699 19.22804 343.7438 18.86722 -4.673859      26.93863 
1 1 1 -6  -8  6  o 171.8206 9.533782 709.2112       78.00863 787.2946       116.7325 646.2015       104.8615 180.6254 13.61806 163.5527 13.53165 17.07278       19.19784 
1 1 1 -6  -8  7  o 463.5905 16.90855 5175.333       374.1287 4833.860       529.2382 5516.443       528.9576 446.0898 24.91435 477.1092 23.25977 -31.01941      34.08433 
1 1 1 -6  -8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -8  9  o 910.8240 31.28318 20290.72       1360.219 18630.53       1924.212 21948.93       1923.068 860.6132 46.94443 938.0154 42.99647 -77.40228      63.65906 
1 1 1 -6  -8  10 o 203.2183 9.755215 991.6827       94.50130 532.1398       138.9143 1387.561       128.9332 147.1445 20.28590 240.3069 11.25377 -93.16240      23.19839 
1 1 1 -6  -8  11 o 343.3016 13.86351 2835.444       227.0719 2445.286       322.3353 3219.812       319.9344 317.3226 21.37169 365.0069 18.39304 -47.68427      28.19668 
1 1 1 -6  -8  12 o 298.2200 12.78808 2139.312       181.9031 1916.283       258.9397 2356.613       255.5927 281.0454 19.39027 312.2630 17.18690 -31.21756      25.91085 
1 1 1 -6  -8  13 o 60.49467 18.98974 87.53210       61.15295 87.56796       127.5239 87.52139       69.68844 71.01457 27.07140 61.57000 20.35876 9.444576       33.87240 
1 1 1 -6  -8  14 o 182.1309 11.34433 799.6205       98.28998 730.1363       143.9501 860.3112       134.5333 172.9442 17.65745 188.3640 15.06453 -15.41978      23.21046 
1 1 1 -6  -8  15 o 196.5681 11.27151 931.3607       105.4822 1143.708       156.1823 753.2661       143.0323 217.2251 15.13344 175.6527 17.25465 41.57245       22.95090 
1 1 1 -6  -8  16 o 54.49621 19.94046 58.77083       67.77729 223.4291       161.6995 23.67587       74.65163 95.61191 30.97608 49.35117 20.10439 46.26074       36.92837 
1 1 1 -6  -8  17 o 335.5287 10.89572 2710.372       174.5491 3196.089       329.3500 2520.656       205.8339 361.7976 19.10849 322.9794 13.35895 38.81821       23.31514 
1 1 1 -6  -8  18 o 222.7738 12.22365 1199.951       129.6898 1129.488       192.5408 1258.470       175.4646 214.3912 18.98074 227.1830 16.26250 -12.79184      24.99475 
1 1 1 -6  -8  19 o 348.0728 11.84695 2924.142       196.8573 3111.312       253.0716 2637.362       313.2562 358.0955 14.81409 327.5881 20.09828 30.50739       24.96794 
1 1 1 -6  -8  20 o 87.42875 22.97366 195.7083       97.26061 322.1367       129.1842 30.26660       147.7779 111.8545 24.80738 66.37457 27.77721 45.47993       37.24217 
1 1 1 -6  -8  21 o 298.6060 13.54276 2162.736       192.8334 2232.417       283.9627 2103.104       262.6927 300.9236 19.84854 292.4629 18.88851 8.460785       27.39964 
1 1 1 -6  -8  22 o 186.5806 13.07099 846.8046       115.8583 1113.189       183.5273 670.3055       149.3886 212.4328 18.24714 164.1046 19.41663 48.32822       26.64515 
1 1 1 -6  -8  23 o 192.8033 14.60722 908.9398       133.6432 1097.713       195.1239 742.1359       183.4188 210.1811 19.64579 171.2264 22.98612 38.95470       30.23771 
1 1 1 -6  -8  24 o 178.5439 13.62919 778.3907       115.4593 918.7392       182.6778 685.0308       148.9917 191.7698 20.22940 165.7085 19.15903 26.06134       27.86211 
1 1 1 -6  -8  25 o 103.0536 19.86923 270.8604       94.34473 406.5133       160.3405 199.0239       116.6812 124.0380 27.73519 87.71159 25.98170 36.32640       38.00381 
1 1 1 -6  -8  26 o 68.40472 23.35179 111.4490       91.63822 73.22372       161.5673 129.5779       111.2666 72.51772 29.56353 73.89574 25.71017 -1.378014      39.17927 
1 1 1 -6  -8  27 o 103.4811 28.20704 289.5919       143.3422 374.7830       172.0530 96.28748       259.1707 116.8065 30.48914 86.70339 36.56520 30.10312       47.60883 
1 1 1 -6  -8  28 o 50.97133 23.97339 -133.7301      149.7487 -82.32298      181.4251 -243.6200      265.2555 60.88001 27.83933 65.49630 31.13038 -4.616291      41.76277 
1 1 1 -6  -8  29 o 69.73475 26.83393 100.8640       126.0841 188.0465       198.2175 41.61715       163.4029 88.22744 33.72218 67.87278 28.84686 20.35466       44.37710 
1 1 1 -6  -8  30 o 103.3370 27.04178 300.7123       135.1196 379.0843       215.0874 249.6199       173.6654 111.2306 35.69814 93.60040 32.14128 17.63020       48.03559 
1 1 1 -6  -8  31 o 86.69579 28.79070 213.2050       139.3268 314.0951       227.2715 152.4591       176.3516 100.8144 36.57083 79.67144 31.42456 21.14297       48.21751 
1 1 1 -6  -8  32 o 52.82265 23.80265 -23.10247      126.7825 -30.11689      187.7621 -17.22428      171.8834 62.25170 28.41125 60.93261 27.56176 1.319096       39.58345 
1 1 1 -6  -7  1  o 319.2445 6.968241 2440.445       106.3543 2487.556       151.0567 2394.134       149.7669 321.8907 9.827251 315.7679 9.932992 6.122803       13.97280 
1 1 1 -6  -7  2  o 167.1628 8.056590 670.9008       64.19760 776.5963       106.7516 611.0201       80.35065 179.3634 12.52770 159.2420 10.61476 20.12146       16.42000 
1 1 1 -6  -7  3  o 82.48913 8.985758 164.9480       34.86505 161.6055       52.04703 167.6688       46.95800 80.86440 13.96751 82.69284 12.24750 -1.828438      18.57667 
1 1 1 -6  -7  4  o 291.9064 7.062287 2039.454       98.55923 2135.395       141.6679 1949.460       137.2067 298.3441 9.946110 285.0297 10.08467 13.31439       14.16424 
1 1 1 -6  -7  5  o 470.2343 9.556479 5296.755       214.8427 5327.330       235.3124 5143.603       526.6575 471.4949 10.43901 460.2516 24.01762 11.24332       26.18814 
1 1 1 -6  -7  6  o 402.4139 7.306715 3875.395       140.5735 4019.933       203.4748 3743.415       194.4351 409.4806 10.40209 395.1483 10.30094 14.33228       14.63943 
1 1 1 -6  -7  7  o 171.1428 8.592757 702.9908       70.08223 695.3786       113.9868 707.6172       88.86225 169.6185 14.18617 171.4974 10.89437 -1.878922      17.88672 
1 1 1 -6  -7  8  o 524.3740 7.766296 6581.308       194.6989 6789.733       285.8856 6401.016       265.8919 532.2437 11.23501 516.8401 10.76070 15.40356       15.55693 
1 1 1 -6  -7  9  o 915.7718 11.95392 20109.37       523.3667 19514.33       1862.462 20160.39       545.3410 883.9889 44.20921 916.8146 12.44166 -32.82568      45.92656 
1 1 1 -6  -7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -7  11 o 188.6857 10.94309 856.3014       98.29240 795.2842       141.1750 913.7083       136.9348 181.0844 16.48739 194.4463 14.84227 -13.36186      22.18394 
1 1 1 -6  -7  12 o 385.4863 10.15962 3563.875       187.0751 3450.489       381.1673 3599.854       214.7142 377.2189 21.22113 387.2348 11.61098 -10.01593      24.18990 
1 1 1 -6  -7  13 o 479.7589 8.399909 5512.697       192.6664 5488.123       280.4996 5534.646       265.0955 478.0074 12.28427 480.3010 11.54464 -2.293610      16.85770 
1 1 1 -6  -7  14 o 431.4965 10.56192 4466.279       217.8857 4756.539       479.8742 4390.899       244.5468 441.9394 22.78902 427.4619 11.97801 14.47748       25.74513 
1 1 1 -6  -7  15 o 265.9680 10.76023 1700.788       136.5406 1470.221       222.9035 1839.259       172.7426 245.6680 19.12909 276.2216 13.11826 -30.55363      23.19506 
1 1 1 -6  -7  16 o 50.32372 19.70460 37.07728       68.90189 214.6899       165.7997 0.1836738E-03  75.75299 94.72195 31.40542 45.91229 19.58153 48.80966       37.00996 
1 1 1 -6  -7  17 o 246.3394 12.20124 1464.179       143.2493 1537.448       208.9305 1399.181       196.7847 251.2327 17.50421 239.6703 17.29011 11.56230       24.60376 
1 1 1 -6  -7  18 o 65.57085 22.64323 96.60688       86.23177 4.620563       110.1219 242.4214       138.6476 55.53982 23.64594 97.47944 28.17036 -41.93962      36.77906 
1 1 1 -6  -7  19 o 340.0583 12.19687 2791.978       197.9730 3025.454       263.3660 2488.656       300.1858 352.8935 15.64910 318.4269 19.81663 34.46652       25.25060 
1 1 1 -6  -7  20 o 286.9279 11.41236 1987.089       156.2390 2398.433       256.0476 1743.074       197.2090 313.4398 17.15207 267.6073 15.48025 45.83252       23.10480 
1 1 1 -6  -7  21 o 209.4745 12.79782 1064.170       127.5551 1097.454       194.8264 1039.200       168.7508 210.7628 19.55819 205.7745 17.31367 4.988312       26.12060 
1 1 1 -6  -7  22 o 259.7941 12.38600 1634.643       153.3967 1715.682       240.6806 1579.205       199.0670 263.8017 19.21512 254.0712 16.47723 9.730499       25.31245 
1 1 1 -6  -7  23 o 92.58821 24.25254 222.1077       108.6140 385.0311       144.0337 7.326607       165.3751 121.7932 25.55273 66.86090 28.73268 54.93233       38.45139 
1 1 1 -6  -7  24 o 318.7684 13.98653 2473.854       212.6351 2669.661       312.0881 2304.207       290.4946 328.1173 19.98966 304.7195 20.05163 23.39777       28.31350 
1 1 1 -6  -7  25 o 219.3341 13.54009 1172.687       141.2908 1387.309       221.4393 1025.311       183.4970 236.1375 19.79675 203.0601 19.12677 33.07741       27.52716 
1 1 1 -6  -7  26 o 236.0757 14.00088 1361.501       157.3113 1330.491       247.9627 1382.389       203.5095 229.2997 22.92613 236.1759 18.16298 -6.876160      29.24895 
1 1 1 -6  -7  27 f 81.98986 28.19113 166.6322       133.6146 225.8142       190.7379 109.6071       187.2300 94.53840 33.59878 79.84917 32.08615 14.68923       46.45857 
1 1 1 -6  -7  28 o 173.1032 16.81168 747.9490       137.3810 805.7592       224.9783 713.5752       173.4812 173.6182 28.06095 166.4060 22.37224 7.212234       35.88779 
1 1 1 -6  -7  29 f 57.54581 24.80560 7.886879       123.9840 -74.82798      203.6459 56.60389       156.2875 65.02448 29.64285 68.77980 28.65836 -3.755325      41.23106 
1 1 1 -6  -7  30 o 148.8698 22.57035 585.2919       155.6086 494.6185       345.7202 608.3284       174.2580 122.2447 44.98487 150.1757 25.15998 -27.93102      51.54283 
1 1 1 -6  -7  31 o 218.2169 16.33651 1206.254       169.1969 1913.561       338.5538 970.7820       195.3410 262.6558 27.36144 191.5887 21.70840 71.06711       34.92711 
1 1 1 -6  -7  32 o 156.4162 19.58590 644.7324       143.2630 674.6237       225.4074 624.4743       185.5640 148.6605 32.61345 147.8726 27.25191 0.7878876      42.50063 
1 1 1 -6  -7  33 o 61.02637 26.01796 50.38466       133.6493 0.2856238E-03  205.2617 87.46601       176.0912 65.82811 29.91213 69.88637 29.83208 -4.058258      42.24557 
1 1 1 -6  -6  1  o 253.6974 6.899922 1542.964       83.61134 1519.782       118.7534 1565.752       117.7416 251.4014 9.899653 255.2156 9.667192 -3.814194      13.83683 
1 1 1 -6  -6  2  o 313.4442 8.639537 2357.623       129.3435 2372.564       148.6353 2311.011       262.5276 314.2468 9.905706 308.3835 17.88308 5.863220       20.44328 
1 1 1 -6  -6  3  f 343.1290 8.843703 2824.420       144.9565 2948.654       311.9045 2790.194       163.7106 348.4673 18.79147 340.8658 10.05681 7.601563       21.31335 
1 1 1 -6  -6  4  o 64.26290 9.907498 101.3238       29.46212 104.8047       50.97955 99.57824       36.10141 64.69931 16.44786 63.31067 12.37096 1.388645       20.58088 
1 1 1 -6  -6  5  o 171.9516 8.079648 709.6193       66.23552 733.4731       110.9337 696.4046       82.56869 174.2259 13.42149 170.1366 10.19782 4.089294       16.85621 
1 1 1 -6  -6  6  f 465.5234 16.98524 5223.253       377.3922 4962.154       534.2040 5483.396       533.2238 451.6087 24.83773 475.2151 23.54318 -23.60641      34.22272 
1 1 1 -6  -6  7  o 244.7154 7.435279 1434.586       86.88861 1605.900       128.3677 1289.731       118.0392 258.6766 10.40104 231.7450 10.68261 26.93164       14.90971 
1 1 1 -6  -6  8  o 166.9003 8.709090 668.7448       69.25211 634.2766       110.3718 691.1252       88.93732 161.9070 14.40922 169.4616 11.03758 -7.554596      18.15086 
1 1 1 -6  -6  9  o 343.5159 9.267089 2827.980       152.0553 2833.808       174.5651 2809.656       309.5649 343.7317 10.63536 341.0048 19.06406 2.726929       21.83001 
1 1 1 -6  -6  10 o 42.08792 18.32460 -12.68531      69.04264 10.23526       105.0328 -30.12500      91.61818 55.50721 23.33564 46.79492 20.71501 8.712288       31.20359 
1 1 1 -6  -6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -6  12 o 371.3398 14.56164 3318.027       258.0164 3227.797       366.9288 3406.280       362.8855 364.9251 21.12173 375.1019 20.31118 -10.17676      29.30309 
1 1 1 -6  -6  13 o 404.8587 10.31061 3931.422       199.4080 3309.914       398.3344 4139.260       230.3495 369.0052 22.68882 415.2433 11.61457 -46.23807      25.48884 
1 1 1 -6  -6  14 o 230.7153 12.23143 1281.342       134.4334 1157.176       195.0033 1393.800       185.5816 218.1315 18.88470 240.0344 16.26772 -21.90283      24.92530 
1 1 1 -6  -6  15 o 465.5864 17.06394 5237.850       379.1862 5403.288       539.0639 5075.822       533.4803 470.4325 24.04795 455.7056 24.57738 14.72687       34.38533 
1 1 1 -6  -6  16 o 72.58621 21.05456 130.7354       77.31789 -17.70068      170.1194 169.3792       86.80080 66.51634 28.86412 82.00113 21.77679 -15.48479      36.15752 
1 1 1 -6  -6  17 o 389.7218 10.89529 3652.036       202.8036 3697.228       405.2823 3636.940       234.2400 388.7075 21.89707 388.5254 12.62730 0.1820374      25.27707 
1 1 1 -6  -6  18 o 290.6739 12.91422 2040.240       179.0181 2254.924       261.8059 1851.718       245.3357 304.1778 18.08458 275.3408 18.74910 28.83704       26.04959 
1 1 1 -6  -6  19 o 78.68773 26.51727 145.7390       118.1346 18.08962       207.4468 207.0026       143.7139 75.94514 32.39771 91.38367 29.16482 -15.43854      43.59127 
1 1 1 -6  -6  20 o 190.9536 13.60586 885.8450       123.3979 1383.561       226.5417 675.8732       147.1424 236.8354 20.20014 165.3256 18.95873 71.50984       27.70341 
1 1 1 -6  -6  21 o 157.0635 13.46483 600.8425       100.1332 644.0211       156.2100 570.7249       130.4621 160.6710 20.82533 151.8399 18.34306 8.831131       27.75180 
1 1 1 -6  -6  22 o 361.4649 11.68855 3156.419       201.7268 3683.880       380.3279 2949.943       237.9566 386.3147 20.66771 348.5138 14.31181 37.80087       25.13925 
1 1 1 -6  -6  23 o 148.6857 14.74457 542.1223       103.4325 441.2924       165.9161 606.2171       132.2834 130.0191 27.54897 156.3856 18.02216 -26.36644      32.92027 
1 1 1 -6  -6  24 o 193.3006 13.52191 911.0070       124.1744 1280.326       201.7964 685.9450       157.5302 227.4297 18.72486 165.4592 20.34190 61.97052       27.64803 
1 1 1 -6  -6  25 o 324.3708 14.17704 2564.568       219.3237 2944.666       329.0233 2260.616       294.2266 344.3555 20.07234 301.3088 20.54794 43.04666       28.72485 
1 1 1 -6  -6  26 o 203.8737 15.79252 1021.983       152.7298 1330.827       230.9453 781.9181       203.6126 230.3826 21.20546 174.3943 25.14670 55.98825       32.89420 
1 1 1 -6  -6  27 o 65.16305 28.25523 2.094829       162.7629 -2.711968      330.8019 3.630196       186.9590 88.51781 39.26418 69.50601 30.20940 19.01180       49.54073 
1 1 1 -6  -6  28 o 88.61237 31.59527 195.6421       168.7979 328.0621       333.8723 150.1721       195.6437 112.2797 43.54227 85.04497 33.23176 27.23476       54.77480 
1 1 1 -6  -6  29 o 224.6424 14.11764 1243.166       150.8553 1279.204       242.6027 1220.448       192.6240 222.5004 23.14421 220.2867 18.45960 2.213654       29.60424 
1 1 1 -6  -6  30 o 170.9489 17.32544 737.3849       139.6454 1131.595       219.7679 470.4333       180.8493 208.7097 22.37364 129.5515 29.81758 79.15828       37.27825 
1 1 1 -6  -6  31 o 111.7337 25.50337 346.5516       133.2245 525.1185       205.4652 217.0172       174.9969 132.9124 32.58886 88.74079 32.10463 44.17158       45.74648 
1 1 1 -6  -6  32 o 186.1600 17.14745 888.6919       150.9002 774.3536       237.4089 966.1977       195.4646 161.1273 31.94801 190.2715 21.88563 -29.14418      38.72539 
1 1 1 -6  -6  33 o 124.8815 28.63882 467.6954       167.3365 1260.278       368.5869 261.9236       187.8065 187.3630 42.16896 91.30611 33.22643 96.05685       53.68628 
1 1 1 -6  -5  1  o 591.2155 10.09784 8398.288       285.4189 8796.644       830.3728 8344.919       303.9375 593.2649 29.36758 589.1207 10.79125 4.144226       31.28747 
1 1 1 -6  -5  2  o 160.6780 7.833901 620.4468       59.99733 641.2101       76.65953 587.6224       96.38652 163.0994 9.877476 155.6074 13.07708 7.492035       16.38824 
1 1 1 -6  -5  3  o 235.4138 8.220710 1330.349       92.38097 1359.143       111.6335 1267.786       164.5518 237.7366 9.843071 228.6503 15.13821 9.086227       18.05690 
1 1 1 -6  -5  4  o 66.00239 8.718872 106.2455       26.84014 124.0533       40.82979 92.69437       35.61728 70.78873 12.52243 60.96834 12.63486 9.820389       17.78907 
1 1 1 -6  -5  5  o 188.9955 8.538062 857.6796       76.94781 860.1141       98.70303 853.9076       122.8626 188.9903 10.97119 187.9081 13.77187 1.082214       17.60771 
1 1 1 -6  -5  6  o 518.8661 9.712667 6452.870       240.9363 6512.318       261.3317 6115.985       622.1001 521.1348 10.48899 500.3539 26.09626 20.78094       28.12532 
1 1 1 -6  -5  7  o 603.3162 10.15266 8722.933       292.8418 8790.194       313.4026 8260.181       822.0370 605.5333 10.82571 580.8894 29.69843 24.64392       31.61000 
1 1 1 -6  -5  8  o 546.4753 10.02164 7154.531       261.8289 7254.143       710.0425 7138.854       281.6794 545.7572 27.29968 545.7796 10.79517 -0.2239990E-01 29.35657 
1 1 1 -6  -5  9  o 257.7772 11.45051 1595.966       140.7643 1544.007       200.4468 1646.522       197.7228 252.8621 16.67392 261.2717 15.90443 -8.409653      23.04280 
1 1 1 -6  -5  10 o 349.0646 7.740966 2916.421       129.1842 2963.572       186.9585 2873.339       178.7086 351.4574 11.14071 346.0971 10.81365 5.360321       15.52580 
1 1 1 -6  -5  11 o 356.6841 10.67535 3051.662       181.8382 3032.766       215.5973 3098.227       338.4540 355.3228 12.71195 357.9025 19.85786 -2.579712      23.57813 
1 1 1 -6  -5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -5  13 o 309.3865 13.28908 2302.332       196.1060 2179.058       280.0019 2421.019       274.7445 299.8674 19.63903 316.4288 18.23848 -16.56143      26.80174 
1 1 1 -6  -5  14 o 532.8419 11.59291 6811.400       295.3242 6758.278       326.4015 7051.192       693.4744 530.5390 12.86845 537.2170 27.08794 -6.678040      29.98923 
1 1 1 -6  -5  15 o 181.4679 12.42805 794.5011       107.1720 586.7978       160.6333 961.1290       143.8758 153.9667 22.48551 199.2548 15.21840 -45.28810      27.15139 
1 1 1 -6  -5  16 o 489.6111 11.01813 5754.845       257.9096 6037.044       600.9581 5691.135       285.5425 496.3255 25.41073 486.4889 12.28675 9.836609       28.22534 
1 1 1 -6  -5  17 o 191.8563 13.14103 890.1105       119.8074 1298.764       216.4996 709.7277       143.8391 230.4476 19.84371 170.2981 17.93583 60.14952       26.74821 
1 1 1 -6  -5  18 o 54.69327 21.84140 38.07466       86.20066 187.6223       109.0378 -211.1509      140.7615 86.36362 24.98902 45.25597 21.81716 41.10765       33.17288 
1 1 1 -6  -5  19 o 311.6911 13.36138 2348.597       198.6435 2570.125       288.2316 2148.191       274.1462 324.3952 18.66362 296.2016 19.46707 28.19360       26.96845 
1 1 1 -6  -5  20 o 64.52560 23.16298 88.50101       90.88174 175.5306       120.4021 -26.74655      138.5532 84.22932 26.67312 58.49493 25.70079 25.73439       37.04033 
1 1 1 -6  -5  21 o 134.7437 17.31475 449.1551       108.9656 314.4268       149.8129 600.4922       158.7787 109.8447 28.33973 154.6775 22.09863 -44.83279      35.93730 
1 1 1 -6  -5  22 o 198.3576 12.82690 954.9617       120.9885 1032.259       195.8850 907.2852       153.8408 204.0049 20.35553 192.2477 16.91009 11.75719       26.46316 
1 1 1 -6  -5  23 o 67.58053 21.47994 111.6054       78.02036 -79.33420      155.5426 175.7974       90.18663 57.22956 26.01816 82.82039 22.28906 -25.59083      34.25999 
1 1 1 -6  -5  24 o 178.5012 13.82642 777.8904       117.0745 853.0159       203.1271 740.5202       143.2637 183.4517 23.71422 173.0302 17.56131 10.42146       29.50871 
1 1 1 -6  -5  25 o 153.9932 14.82051 582.8585       107.7662 912.9910       199.5934 447.0163       128.0323 190.1347 22.38567 132.8098 20.85027 57.32492       30.59170 
1 1 1 -6  -5  26 o 122.0217 22.12656 381.8305       124.3282 172.4388       182.6839 562.4896       169.6877 87.87154 32.63451 147.5521 24.94253 -59.68056      41.07483 
1 1 1 -6  -5  27 o 197.4155 17.52409 966.8058       163.6794 709.7182       316.5165 1060.653       191.2347 156.4457 41.60164 205.8982 19.66566 -49.45247      46.01559 
1 1 1 -6  -5  28 o 61.62800 25.80505 33.22292       127.6452 17.59926       196.8169 44.56520       167.6953 71.82265 31.10707 69.85519 29.43370 1.967453       42.82514 
1 1 1 -6  -5  29 o 70.45087 28.06695 86.77409       142.0065 100.9047       183.3163 65.57052       224.5566 77.61054 31.54615 79.28497 33.76117 -1.674431      46.20580 
1 1 1 -6  -5  30 o 177.7150 19.70331 805.8691       164.5968 742.9456       225.3562 877.8190       240.9782 164.2445 29.79622 179.3364 29.10285 -15.09198      41.65082 
1 1 1 -6  -5  31 f 114.2200 23.66203 353.4513       124.9593 573.1944       221.5010 250.8664       151.3421 138.8005 33.71749 94.05264 29.91899 44.74785       45.07788 
1 1 1 -6  -5  32 o 110.8173 26.90444 350.9326       141.0922 190.6623       368.4753 378.4685       152.7325 94.36707 41.66918 114.3529 28.13293 -19.98582      50.27705 
1 1 1 -6  -5  33 o 154.2489 19.59852 631.1459       141.2700 601.9930       240.7491 646.4556       174.4641 134.6198 36.49754 151.7978 24.90263 -17.17801      44.18384 
1 1 1 -6  -5  34 o 81.01498 27.86977 198.0298       130.5908 448.0548       232.1785 82.32877       157.9424 110.3763 37.17496 66.86550 28.38750 43.51080       46.77422 
1 1 1 -6  -4  1  o 442.9234 9.160809 4710.246       193.9862 4741.275       212.6735 4556.591       473.2551 444.1900 10.01466 430.0492 23.10287 14.14081       25.18007 
1 1 1 -6  -4  2  o 74.61198 7.953128 135.0029       27.93291 123.1802       38.28725 148.4564       40.84265 70.61163 11.75452 77.75647 11.31876 -7.144844      16.31818 
1 1 1 -6  -4  3  o 204.3417 8.029236 1002.845       78.28767 1086.038       138.4164 963.7132       94.93063 211.7310 13.74831 200.0541 9.956751 11.67690       16.97507 
1 1 1 -6  -4  4  o 172.3834 9.377820 715.2064       76.99583 723.1727       109.7589 707.4879       108.0385 172.7388 13.39512 170.8553 13.33188 1.883484       18.89890 
1 1 1 -6  -4  5  o 186.2666 7.265333 832.3262       64.57511 918.3894       94.78500 757.7811       88.21459 195.3530 10.18388 177.3668 10.44932 17.98619       14.59108 
1 1 1 -6  -4  6  o 140.5721 8.672934 475.3122       58.00343 479.3098       80.19532 470.9268       83.99500 140.7634 12.03182 139.4171 12.74243 1.346329       17.52524 
1 1 1 -6  -4  7  o 439.1751 9.430857 4621.771       198.0146 4643.866       475.9331 4617.145       217.7566 437.0774 22.85550 438.8429 10.37896 -1.765442      25.10173 
1 1 1 -6  -4  8  o 658.3289 10.57903 10387.44       332.9640 10570.89       1007.097 10364.93       352.8040 656.2900 32.19546 657.5065 11.22342 -1.216492      34.09564 
1 1 1 -6  -4  9  o 407.8900 9.505676 3984.904       185.3679 4058.782       420.7199 3967.107       206.4908 409.4401 21.56894 406.7407 10.62789 2.699371       24.04519 
1 1 1 -6  -4  10 o 428.9771 15.77933 4428.418       323.0653 4533.071       457.9164 4324.705       455.8574 432.6213 22.21398 422.4246 22.65495 10.19672       31.72865 
1 1 1 -6  -4  11 o 78.27600 11.87089 150.2236       43.03231 160.6434       64.00078 141.6263       58.13497 80.20098 17.20709 75.28840 16.59848 4.912582       23.90802 
1 1 1 -6  -4  12 o 582.8309 8.167844 8132.671       227.5927 8954.869       339.2063 7459.467       306.9370 611.1028 11.61024 557.7635 11.51041 53.33929       16.34892 
1 1 1 -6  -4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -4  14 o 630.1571 11.89232 9527.540       358.2809 9590.369       390.0536 9188.343       906.3026 632.0237 12.90870 611.5593 31.09958 20.46448       33.67222 
1 1 1 -6  -4  15 o 245.5099 12.79345 1451.499       149.6457 1131.426       221.2694 1721.301       203.1514 215.0305 21.82553 266.8931 15.99452 -51.86259      27.05880 
1 1 1 -6  -4  16 o 382.4615 10.66663 3512.638       194.8493 3354.908       386.5493 3566.368       225.6087 371.0598 21.88698 385.0959 12.26968 -14.03604      25.09153 
1 1 1 -6  -4  17 o 646.5594 22.34021 10198.31       689.5266 10751.08       978.4823 9653.036       971.8276 657.6371 31.21040 621.8284 32.80571 35.80872       45.28028 
1 1 1 -6  -4  18 o 164.5346 13.88730 657.2076       108.2215 822.5142       209.0258 596.6680       126.4954 181.5107 24.72989 156.0478 17.24267 25.46289       30.14759 
1 1 1 -6  -4  19 o 59.91044 24.52905 34.71251       111.8140 165.6390       208.9065 -17.85376      132.3707 91.75896 34.72599 58.18566 25.35261 33.57331       42.99592 
1 1 1 -6  -4  20 o 189.8555 14.20127 876.4895       127.9678 727.1672       242.7711 933.9412       150.5866 167.2941 31.50913 195.5107 16.25741 -28.21657      35.45601 
1 1 1 -6  -4  21 o 221.2908 13.34228 1188.109       140.5011 1872.865       266.0617 923.3110       165.4518 275.5811 20.33739 193.7244 18.07253 81.85669       27.20709 
1 1 1 -6  -4  22 o 114.0165 16.87623 323.1576       89.21778 551.7894       169.7883 235.9502       104.8615 147.0345 25.05071 95.77996 23.15729 51.25455       34.11449 
1 1 1 -6  -4  23 o 106.8441 23.33392 293.9373       115.8456 380.9828       175.7226 227.0252       154.0661 119.9415 30.56135 94.57570 30.19843 25.36579       42.96442 
1 1 1 -6  -4  24 o 157.5013 16.64078 612.4177       123.4120 938.2392       184.1910 346.9873       166.2471 194.0361 20.14833 114.3188 30.03394 79.71735       36.16618 
1 1 1 -6  -4  25 o 158.1754 17.45432 620.9152       129.8005 827.3217       196.2251 460.3336       173.0776 180.5026 23.28011 132.0168 28.27422 48.48586       36.62506 
1 1 1 -6  -4  26 o 109.3891 24.69461 313.0113       126.0767 276.3741       186.8252 343.6485       170.8434 102.5471 33.30149 113.0160 30.78937 -10.46886      45.35388 
1 1 1 -6  -4  27 o 105.1611 29.43105 295.8933       153.7722 -194.5633      315.8458 448.2632       176.0453 76.38842 35.56376 129.4383 29.15120 -53.04989      45.98449 
1 1 1 -6  -4  28 o 137.9473 22.12339 490.1343       140.9757 434.4702       214.4959 532.4647       187.0499 124.2706 34.75269 140.6967 28.77902 -16.42609      45.12185 
1 1 1 -6  -4  29 o 101.4670 28.41499 281.0087       143.2902 234.5811       223.2793 313.5192       186.8407 96.52213 36.03361 106.0361 33.17961 -9.513931      48.98273 
1 1 1 -6  -4  30 o 89.10207 26.31136 214.1092       119.8136 405.8019       209.8494 121.3979       145.9389 118.2458 34.79597 75.27785 28.89455 42.96796       45.22891 
1 1 1 -6  -4  31 o 229.5688 17.61499 1334.125       191.8550 1178.361       366.5740 1392.888       225.1545 194.0395 40.81106 232.3689 20.47649 -38.32933      45.65993 
1 1 1 -6  -4  32 o 75.56873 27.07951 149.4702       124.1540 23.12433       218.2128 209.9472       150.9716 71.62075 31.82270 86.24423 29.95158 -14.62348      43.70105 
1 1 1 -6  -4  33 o 124.9389 23.71742 433.3141       136.4885 191.2587       231.7164 561.9176       168.8985 85.83118 35.24527 140.7580 26.05775 -54.92686      43.83190 
1 1 1 -6  -4  34 o 59.53890 26.28562 20.89007       146.5652 527.1511       380.4819 -67.32159      158.8217 108.3600 44.89537 54.27856 25.25286 54.08144       51.51020 
1 1 1 -6  -3  1  o 57.71703 8.034922 81.42272       21.57116 88.94253       31.69859 74.93677       29.43903 59.80161 11.50475 54.77705 11.60276 5.024559       16.33962 
1 1 1 -6  -3  2  o 442.9601 7.170021 4702.971       151.8425 4631.905       215.6617 4772.833       213.8255 438.9812 10.27587 445.6658 10.03557 -6.684601      14.36336 
1 1 1 -6  -3  3  o 501.1505 7.355642 6020.072       176.2370 5804.131       250.3463 6232.227       248.1418 491.3436 10.65731 509.2657 10.19171 -17.92209      14.74616 
1 1 1 -6  -3  4  o 14.53530 7.087279 -29.47786      15.99162 -17.86648      32.83314 -33.08903      18.31025 26.70405 12.06575 15.64401 7.618024 11.06005       14.26943 
1 1 1 -6  -3  5  o 400.1736 15.05293 3869.848       287.4769 3781.030       406.9943 3958.283       406.1147 393.2533 21.73199 402.6170 21.17275 -9.363678      30.34081 
1 1 1 -6  -3  6  o 96.22703 9.356169 224.1057       42.50033 237.9093       65.89383 214.2729       55.61430 98.38069 14.43907 93.56071 12.76588 4.819984       19.27316 
1 1 1 -6  -3  7  o 318.0330 8.670438 2424.948       131.7092 2096.860       262.4814 2535.356       152.2663 294.0737 18.76750 325.0654 9.808936 -30.99170      21.17627 
1 1 1 -6  -3  8  o 229.1845 8.719867 1259.792       95.36971 1270.814       166.1944 1254.380       116.4516 229.4067 15.23951 228.4994 10.68950 0.9073181      18.61473 
1 1 1 -6  -3  9  o 189.3196 9.472426 860.6432       85.46402 782.5706       112.1496 968.7799       131.9880 180.1159 13.11362 200.4087 13.86096 -20.29282      19.08123 
1 1 1 -6  -3  10 o 74.10984 13.09078 135.6566       44.68638 62.62352       57.88565 243.3753       70.30023 53.66803 18.55109 99.52059 15.26139 -45.85256      24.02193 
1 1 1 -6  -3  11 o 313.6296 12.78952 2363.747       191.3673 2362.521       272.2267 2364.945       269.0694 312.6927 18.28963 312.8944 18.06376 -0.2017517     25.70622 
1 1 1 -6  -3  12 o 307.3269 9.055406 2264.007       132.9055 1933.679       258.7741 2382.361       154.8958 282.5637 19.27095 315.1394 10.29465 -32.57568      21.84833 
1 1 1 -6  -3  13 o 207.4486 11.45847 1035.116       113.2023 1165.360       172.2081 936.0096       150.2197 219.4596 16.53471 196.6133 16.12254 22.84627       23.09400 
1 1 1 -6  -3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -3  15 o 139.5890 13.54205 472.5287       89.23995 252.7256       137.5912 632.1323       117.2451 100.2062 27.76378 161.3589 15.38423 -61.15264      31.74117 
1 1 1 -6  -3  16 o 484.2955 18.14400 5674.207       419.3564 5167.384       596.6755 6168.926       589.5084 458.6521 27.33513 502.5155 24.61248 -43.86337      36.78292 
1 1 1 -6  -3  17 o 554.9298 9.130638 7384.713       242.2409 7694.935       369.8626 7151.681       320.5629 565.3502 13.68405 545.4015 12.29387 19.94867       18.39544 
1 1 1 -6  -3  18 o 490.8390 11.59439 5793.104       272.0792 5777.771       306.3629 5850.340       591.9128 489.6213 13.09959 487.1967 25.50114 2.424591       28.66893 
1 1 1 -6  -3  19 o 258.2123 13.15801 1611.765       161.8979 1534.914       245.5623 1670.853       215.3228 249.8981 20.74039 261.8675 17.29572 -11.96935      27.00566 
1 1 1 -6  -3  20 o 83.76321 24.87784 176.6219       106.8636 -64.71661      156.0544 389.7209       146.6404 58.88919 26.48313 123.2421 25.72033 -64.35291      36.91736 
1 1 1 -6  -3  21 o 99.55925 22.81791 254.0802       106.2799 310.5829       149.2758 195.9961       151.3506 109.1828 28.34992 89.75759 30.01222 19.42519       41.28500 
1 1 1 -6  -3  22 o 50.92350 23.84796 -134.3679      145.4641 0.000000       0.000000 -134.3679      145.4641 ?        ?        50.92350 23.84796 0.000000       23.84796 
1 1 1 -6  -3  23 o 335.2427 11.80713 2717.487       188.9441 2915.463       346.1806 2633.489       225.4924 342.9846 21.21538 329.1155 14.36556 13.86905       25.62150 
1 1 1 -6  -3  24 o 58.04172 22.59585 55.37652       90.18123 -96.96556      279.7831 73.03892       95.26566 77.62200 35.13232 62.07886 23.45998 15.54314       42.24513 
1 1 1 -6  -3  25 o 117.1069 23.06826 353.6780       124.5566 356.2721       180.5545 351.3224       172.0521 115.0842 31.77309 114.4872 30.77465 0.5970612      44.23356 
1 1 1 -6  -3  26 o 106.8523 25.79325 300.7542       130.2525 441.0774       195.1810 188.0853       174.8940 127.4194 32.06902 89.15118 32.11616 38.26824       45.38579 
1 1 1 -6  -3  27 o 236.3598 14.65657 1368.524       164.8058 1389.706       267.0726 1355.497       209.4371 233.4010 24.28905 233.3633 18.93462 0.3770447E-01  30.79737 
1 1 1 -6  -3  28 o 56.77494 25.97225 -82.28744      158.1086 68.56377       342.8165 -123.0443      178.1919 93.77461 40.83042 57.86472 26.86232 35.90989       48.87440 
1 1 1 -6  -3  29 o 185.0071 15.50392 849.1493       135.8718 1128.601       249.3121 731.0818       162.0522 207.3703 25.69654 169.3105 20.43262 38.05980       32.82993 
1 1 1 -6  -3  30 o 101.5760 25.76949 280.1153       125.3192 251.6187       207.5477 296.4659       157.2132 96.96683 34.97898 103.1329 30.05406 -6.166092      46.11697 
1 1 1 -6  -3  31 o 320.6717 16.49153 2576.378       251.9816 2669.099       399.1085 2514.919       324.9325 314.9774 26.75648 311.3668 21.96897 3.610626       34.62000 
1 1 1 -6  -3  32 o 60.04171 25.43303 37.74488       126.2951 -312.6928      214.4667 223.7840       156.2632 52.51842 25.68234 88.58411 30.48586 -36.06570      39.86189 
1 1 1 -6  -3  33 o 211.3891 19.89556 1178.378       198.7056 1250.579       270.9242 1094.325       292.3181 209.0724 27.79234 188.6301 33.64865 20.44228       43.64225 
1 1 1 -6  -3  34 o 85.59978 32.12983 227.6094       178.0177 300.1476       227.8733 114.0116       285.1642 93.81907 36.08154 79.84413 35.86205 13.97494       50.87204 
1 1 1 -6  -2  1  o 372.2883 7.001389 3321.768       124.6155 3210.931       176.8750 3431.010       175.5977 365.3658 10.13562 377.7795 9.730470 -12.41370      14.05036 
1 1 1 -6  -2  2  o 134.8268 6.783370 436.6826       43.58458 488.2414       63.71382 391.3358       59.75250 142.2775 9.419786 127.2437 9.900112 15.03382       13.66545 
1 1 1 -6  -2  3  f 182.0762 6.957828 795.5741       60.45541 810.8651       87.38478 781.5367       83.72625 183.4426 10.00169 180.1194 9.759281 3.323181       13.97416 
1 1 1 -6  -2  4  f 50.69674 10.37898 63.99060       24.30841 72.15208       42.72218 60.08340       29.55985 54.05861 15.64187 49.02631 12.55725 5.032295       20.05872 
1 1 1 -6  -2  5  o 271.6909 8.565448 1771.751       111.1196 1848.355       213.6256 1743.336       130.1061 276.0666 16.25766 269.2829 10.12406 6.783691       19.15224 
1 1 1 -6  -2  6  o 100.2343 9.099719 242.8391       43.13190 258.9885       64.27548 229.6097       58.17516 102.9134 13.38014 96.88702 12.87785 6.026398       18.57060 
1 1 1 -6  -2  7  o 275.0467 11.74259 1819.096       154.0558 1759.738       218.6225 1877.642       217.1208 269.6301 17.04696 278.6825 16.36816 -9.052338      23.63293 
1 1 1 -6  -2  8  o 706.7908 10.85929 11977.42       366.9449 12348.30       1157.458 11935.98       386.9026 707.4286 34.32515 705.4445 11.47177 1.984070       36.19139 
1 1 1 -6  -2  9  o 42.56443 14.04453 41.42190       33.17011 122.8709       70.35220 18.14033       37.61324 70.47135 19.97204 36.83543 14.51773 33.63592       24.69103 
1 1 1 -6  -2  10 o 549.9778 9.980250 7246.393       262.4188 6651.206       696.2621 7344.938       283.3115 522.2831 27.98641 553.6136 10.70407 -31.33044      29.96358 
1 1 1 -6  -2  11 o 165.8308 9.740818 661.0261       76.88688 598.9427       115.2234 710.8589       103.2313 157.1101 15.54360 171.6750 12.66675 -14.56493      20.05118 
1 1 1 -6  -2  12 f 508.3498 10.30785 6192.735       250.5182 6542.061       634.3030 6128.175       272.6869 518.5522 25.66537 505.5689 11.28173 12.98328       28.03549 
1 1 1 -6  -2  13 o 268.3803 12.12056 1731.464       155.1171 1551.680       221.5899 1904.216       217.2129 253.0720 18.44115 280.8735 16.24514 -27.80144      24.57602 
1 1 1 -6  -2  14 o 440.2942 10.70937 4648.031       225.4319 4320.613       487.0121 4737.315       254.3181 421.2285 24.28615 444.1749 11.98704 -22.94638      27.08332 
1 1 1 -6  -2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  -2  16 o 139.0753 17.80657 474.4754       115.6838 219.9286       164.1825 725.4514       163.0269 95.79612 31.22611 171.9341 20.21905 -76.13802      37.20053 
1 1 1 -6  -2  17 o 715.5000 11.81530 12302.95       404.1689 12271.54       1186.768 12307.07       429.8654 698.9510 35.63250 715.3700 12.56879 -16.41901      37.78425 
1 1 1 -6  -2  18 o 319.1174 13.53189 2458.236       205.9825 2347.006       284.9105 2580.041       298.1464 310.2373 19.30472 325.3446 19.25414 -15.10730      27.26525 
1 1 1 -6  -2  19 o 76.16595 23.22672 143.3807       92.25653 121.0268       237.0078 147.3726       100.1558 90.34351 36.16982 77.56163 24.29593 12.78188       43.57233 
1 1 1 -6  -2  20 o 262.3694 13.15915 1666.106       164.5360 1769.684       247.3648 1583.918       220.3493 268.5159 19.39981 254.3505 18.24166 14.16541       26.62913 
1 1 1 -6  -2  21 o 115.7378 17.13625 332.9062       91.95863 680.9570       160.4398 162.6238       112.2214 165.3013 20.75805 81.11172 25.75896 84.18961       33.08203 
1 1 1 -6  -2  22 o 152.7617 16.67662 574.9184       119.8196 502.9055       266.9954 593.0789       134.0793 135.8945 39.03696 154.6669 18.49887 -18.77243      43.19830 
1 1 1 -6  -2  23 o 116.0798 18.16173 337.2737       97.48956 488.3067       175.7323 270.1264       117.1736 136.8810 27.80332 102.1296 24.34355 34.75137       36.95447 
1 1 1 -6  -2  24 o 114.1478 18.83518 327.9966       99.20684 662.7123       185.0578 193.0098       117.5209 160.9699 24.84543 86.82915 26.15996 74.14078       36.07823 
1 1 1 -6  -2  25 o 74.79472 23.58453 139.8807       94.22430 -15.18277      180.7038 197.7840       110.4241 67.23391 29.45116 87.36156 25.10769 -20.12766      38.70099 
1 1 1 -6  -2  26 o 217.4361 14.56725 1158.099       150.5583 927.0095       243.7365 1300.678       191.4510 188.4204 27.89924 229.2494 17.60259 -40.82898      32.98816 
1 1 1 -6  -2  27 o 171.9988 18.37675 738.3176       148.7746 966.5999       225.1586 561.4153       198.2071 193.9305 24.85548 144.9211 29.60887 49.00941       38.65850 
1 1 1 -6  -2  28 o 154.7537 24.46862 622.2927       175.0217 660.0099       354.2057 610.1090       201.3153 147.0794 45.63138 150.9077 28.95624 -3.828339      54.04338 
1 1 1 -6  -2  29 o 63.27840 24.36584 76.85954       104.0063 -301.2640      218.9361 187.0630       118.1948 55.36967 26.81811 84.27858 26.39239 -28.90891      37.62671 
1 1 1 -6  -2  30 o 122.9796 21.12636 393.9421       119.7384 110.2120       228.4304 501.4363       140.6027 83.03442 34.62625 138.6638 21.93820 -55.62934      40.99100 
1 1 1 -6  -2  31 f 126.5966 26.83432 441.1146       157.3636 259.7344       350.3796 486.9458       176.1263 102.7739 42.87308 131.9722 28.73150 -29.19827      51.61008 
1 1 1 -6  -2  32 o 191.3173 21.14019 965.6760       190.1410 1158.297       254.2121 721.0714       286.4684 204.3563 26.65414 147.7330 39.70965 56.62329       47.82572 
1 1 1 -6  -2  33 o 53.57261 26.18685 -299.8138      222.2859 -381.6946      367.6996 -252.6554      279.0497 68.19637 33.40763 63.09896 30.49275 5.097416       45.23138 
1 1 1 -6  -2  34 o 85.71652 29.00072 224.8116       141.3000 73.39288       229.3241 317.4795       179.4008 73.24752 32.57962 98.15590 32.67199 -24.90838      46.13990 
1 1 1 -6  -2  35 o 81.38991 29.76121 211.5255       150.9405 76.60380       241.8406 297.6204       193.1867 72.06017 32.63438 91.61601 33.64194 -19.55584      46.86985 
1 1 1 -6  -1  1  o 371.1227 6.899829 3300.665       122.4233 3412.397       174.0302 3191.209       172.2490 376.7758 9.669239 364.3030 9.898932 12.47278       13.83774 
1 1 1 -6  -1  2  o 523.2808 7.361536 6563.857       184.1669 6422.709       261.5820 6702.590       259.3351 516.8560 10.58595 528.0860 10.27184 -11.22998      14.75036 
1 1 1 -6  -1  3  o 223.9742 6.905777 1203.102       73.85838 1228.715       106.0390 1178.967       102.9333 225.9692 9.838979 221.3519 9.750594 4.617264       13.85206 
1 1 1 -6  -1  4  o 188.4082 8.046764 852.5585       72.31498 883.5630       123.7677 836.4879       89.10698 190.9837 13.64499 186.3761 10.03733 4.607574       16.93912 
1 1 1 -6  -1  5  o 48.11296 11.51641 57.85347       26.13744 16.55917       46.39569 77.05243       31.63526 39.47714 15.93393 55.53734 12.24456 -16.06020      20.09525 
1 1 1 -6  -1  6  o 290.1253 8.721778 2019.076       120.8386 2019.849       141.1055 2016.948       234.0193 289.9979 10.19334 288.5760 17.03806 1.421906       19.85446 
1 1 1 -6  -1  7  o 545.2387 19.21302 7189.955       500.0476 7279.625       707.9451 7100.675       706.4056 545.4590 27.23359 538.5634 27.52656 6.895569       38.72183 
1 1 1 -6  -1  8  o 653.7651 7.993520 10233.14       249.8436 10082.94       356.8762 10377.53       349.8917 648.3990 11.51243 657.8742 11.12455 -9.475220      16.00911 
1 1 1 -6  -1  9  o 454.5207 9.924686 4949.437       215.6646 4967.094       238.9557 4871.875       500.8145 455.2171 10.97970 448.0678 23.46067 7.149231       25.90284 
1 1 1 -6  -1  10 o 195.7330 9.466379 919.7779       88.32156 1017.069       121.3607 810.2269       128.7803 205.5465 12.40757 183.0628 14.84153 22.48364       19.34473 
1 1 1 -6  -1  11 o 455.2774 7.904169 4961.949       172.0444 5029.221       250.4538 4901.842       236.7401 457.9950 11.43822 452.2143 10.95013 5.780670       15.83472 
1 1 1 -6  -1  12 o 263.7546 10.10370 1669.429       127.1701 1766.951       166.0370 1531.034       197.7939 271.0424 12.84984 251.7260 16.52667 19.31642       20.93440 
1 1 1 -6  -1  13 o 99.02486 16.13016 241.9049       73.73842 467.5041       132.6817 141.0868       88.69756 137.6078 20.81773 75.90221 22.69450 61.70557       30.79640 
1 1 1 -6  -1  14 f 209.5395 11.63643 1056.590       116.1142 852.9435       171.1777 1230.154       158.0297 186.9749 19.43254 225.7237 14.72415 -38.74879      24.38081 
1 1 1 -6  -1  15 o 657.5076 33.01602 10688.17       1034.527 0.000000       0.000000 10688.17       1034.527 ?        ?        657.5076 33.01602 0.000000       33.01602 
1 1 1 -6  -1  16 o 225.0718 13.61836 1222.802       145.8537 1074.389       210.4868 1359.886       202.2937 209.3867 21.32376 236.5701 18.02167 -27.18341      27.91922 
1 1 1 -6  -1  17 o 451.0562 10.31697 4883.707       222.4800 4367.231       342.3979 5261.100       292.6866 424.7322 16.89565 467.3825 13.11147 -42.65030      21.38630 
1 1 1 -6  -1  18 o 163.3318 17.20196 653.0367       132.3104 621.2454       182.5456 688.2233       192.0461 157.1996 25.13544 165.6609 25.02775 -8.461304      35.47082 
1 1 1 -6  -1  19 o 66.26895 25.85127 70.02954       118.2299 -55.17340      157.2251 232.9623       179.3571 60.09548 26.83691 97.93888 32.66969 -37.84340      42.27917 
1 1 1 -6  -1  20 o 245.3859 14.64854 1462.689       171.0689 1323.701       283.8155 1541.997       214.3902 229.3189 26.36658 250.9764 17.98675 -21.65753      31.91739 
1 1 1 -6  -1  21 o 49.75408 22.56551 -60.65480      116.1422 -195.0902      154.0891 116.1858       176.7283 49.04811 23.42787 81.16105 31.62169 -32.11294      39.35476 
1 1 1 -6  -1  22 o 158.9741 21.68721 634.4579       160.5375 1092.710       283.2233 417.5304       194.8650 205.7886 29.64090 125.2813 32.32067 80.50733       43.85440 
1 1 1 -6  -1  23 o 69.15318 26.64870 85.96048       124.4770 -53.74036      168.6187 253.2692       184.5294 61.99402 27.73090 99.97915 33.13126 -37.98513      43.20513 
1 1 1 -6  -1  24 o 96.17400 22.91711 239.2988       103.8687 21.88497       188.9781 333.4093       124.3331 72.27005 30.87850 113.6166 23.65930 -41.34652      38.90044 
1 1 1 -6  -1  25 o 142.3949 17.54581 505.0752       116.9241 493.6277       204.2872 510.6521       142.5889 135.0860 32.10681 141.7232 21.73697 -6.637161      38.77296 
1 1 1 -6  -1  26 o 221.2391 14.32329 1198.354       150.6860 1442.490       241.0536 1041.763       193.0551 239.5538 21.26842 203.8887 20.06491 35.66510       29.23946 
1 1 1 -6  -1  27 o 269.1487 15.68048 1780.514       200.8978 5456.990       382.3075 378.0237       236.1277 470.6202 17.01961 116.9259 37.39100 353.6943       41.08229 
1 1 1 -6  -1  28 o 255.2511 15.24268 1603.767       185.1633 2186.264       285.4448 1180.589       243.2970 294.9423 20.36817 214.1466 24.18662 80.79575       31.62049 
1 1 1 -6  -1  29 o 67.45647 26.06221 89.04696       119.2809 -676.0717      348.1101 190.8308       126.9672 61.98225 30.75873 85.15421 27.43662 -23.17195      41.21733 
1 1 1 -6  -1  30 o 49.38581 22.21689 -37.29033      109.9306 -295.9835      221.0389 47.72317       126.7127 55.54497 26.91337 62.58295 25.91704 -7.037979      37.36338 
1 1 1 -6  -1  31 o 130.9164 23.48949 457.9407       141.6179 557.6735       357.5071 439.3782       154.2350 128.2015 45.95044 126.5229 26.35483 1.678574       52.97188 
1 1 1 -6  -1  32 o 200.4235 20.22214 1052.180       191.1219 1197.192       258.5600 877.5122       283.7701 207.5588 26.67201 167.4360 36.48313 40.12285       45.19308 
1 1 1 -6  -1  33 o 114.2286 31.11501 401.9867       174.4918 710.9904       371.1799 314.3261       197.6991 131.2117 46.84481 99.22076 34.28423 31.99089       58.05036 
1 1 1 -6  -1  34 f 118.9351 28.04136 429.7618       156.8318 425.6487       238.8206 432.8805       207.9562 107.7383 37.65498 111.8853 35.00348 -4.147003      51.41148 
1 1 1 -6  -1  35 o 93.64574 37.94611 349.5707       264.2900 749.8923       406.1109 55.47012       348.0872 115.5625 46.96049 76.62056 36.19375 38.94193       59.28976 
1 1 1 -6  0   1  o 238.6997 6.857498 1366.348       78.17639 1293.510       111.4813 1436.821       109.6575 231.8129 10.08314 244.4474 9.400582 -12.63449      13.78553 
1 1 1 -6  0   2  o 242.1382 6.885427 1405.819       79.62718 1372.822       113.9391 1437.320       111.3261 238.8724 9.999073 244.4982 9.542179 -5.625778      13.82153 
1 1 1 -6  0   3  o 239.7502 6.959373 1378.132       79.68518 1377.490       114.8457 1378.729       110.6548 239.3070 10.06053 239.4690 9.685225 -0.1619873     13.96488 
1 1 1 -6  0   4  o 319.2756 7.200633 2441.756       109.9119 2198.726       157.8083 2670.720       153.1731 302.3705 10.93447 333.5043 9.616707 -31.13376      14.56172 
1 1 1 -6  0   5  o 78.75381 8.981895 150.5886       33.21415 166.3670       49.80513 137.9512       44.57299 82.17769 13.11764 74.69601 12.95064 7.481682       18.43344 
1 1 1 -6  0   6  o 283.0454 8.948720 1921.603       120.9426 1949.146       144.3428 1856.703       221.5686 284.8733 10.61685 277.0282 16.80831 7.845032       19.88057 
1 1 1 -6  0   7  o 468.2433 7.552494 5248.938       169.0714 5245.557       244.0305 5252.059       234.4626 467.7120 10.91333 468.0589 10.47767 -0.3469238     15.12886 
1 1 1 -6  0   8  o 191.3751 10.06140 879.9980       91.73263 887.7093       132.3134 872.8610       127.2914 191.6822 14.54683 190.1240 14.10451 1.558151       20.26197 
1 1 1 -6  0   9  o 246.3710 9.578074 1456.174       112.6025 1455.543       142.4673 1457.224       183.8037 246.0502 12.14865 245.7176 15.72882 0.3325958      19.87424 
1 1 1 -6  0   10 o 320.5362 9.372476 2463.040       143.4740 2553.960       284.5930 2432.058       166.1302 325.1048 18.38510 318.3483 10.93157 6.756561       21.38951 
1 1 1 -6  0   11 o 81.35312 13.76894 163.2525       51.64442 204.1696       106.2416 150.5924       59.09640 90.24527 24.14980 77.67815 16.42713 12.56712       29.20724 
1 1 1 -6  0   12 o 206.8120 10.64256 1027.962       104.8739 1168.666       153.1035 903.5825       143.9477 220.0508 14.63624 193.2083 15.71939 26.84245       21.47833 
1 1 1 -6  0   13 o 255.6008 9.391600 1567.392       114.5701 1644.950       177.3520 1511.845       150.0916 261.2529 14.25328 250.6623 12.56452 10.59061       19.00061 
1 1 1 -6  0   14 o 455.1741 10.40459 4967.557       226.4180 4943.530       516.4044 4973.275       251.9240 450.5227 24.06264 455.1258 11.58732 -4.603119      26.70724 
1 1 1 -6  0   15 o 153.7595 21.20118 583.2195       151.7075 604.2422       260.5975 572.4426       186.5838 153.0361 36.19014 150.9784 26.83259 2.057693       45.05235 
1 1 1 -6  0   16 o 480.3797 17.77801 5585.219       407.5925 5840.044       583.3394 5342.132       569.7466 488.2838 25.07248 466.6964 25.63361 21.58740       35.85682 
1 1 1 -6  0   17 o 93.83058 30.59103 212.8493       157.5684 23.79692       265.9050 315.1596       195.6118 86.18217 36.71949 111.5383 33.78186 -25.35613      49.89524 
1 1 1 -6  0   18 o 472.2865 12.18682 5372.799       274.9422 5331.508       570.5945 5385.285       313.7706 464.3874 25.80177 472.2929 13.91125 -7.905457      29.31303 
1 1 1 -6  0   19 o 344.6673 12.72283 2868.398       209.2890 2718.388       354.5256 2948.640       259.2912 332.0220 22.46660 348.5917 15.59781 -16.56970      27.35032 
1 1 1 -6  0   20 o 59.65794 25.03361 19.83217       120.5211 219.4828       153.1203 -305.2619      195.3898 93.77943 30.12216 52.21651 25.30136 41.56291       39.33832 
1 1 1 -6  0   21 o 190.0221 14.36246 880.1105       129.5132 1170.060       202.0061 677.7407       168.7627 217.5726 19.63106 164.3585 22.03148 53.21411       29.50872 
1 1 1 -6  0   22 o 128.4218 18.59208 411.8105       110.8327 323.5611       177.3473 468.3651       141.9718 110.7434 31.81636 135.8345 22.65943 -25.09118      39.06060 
1 1 1 -6  0   23 o 318.6295 14.55407 2472.200       221.1212 2627.025       325.1043 2338.919       301.6378 325.2938 21.01693 307.0579 20.66780 18.23584       29.47659 
1 1 1 -6  0   24 f 188.9119 20.47346 892.4462       181.9571 1065.004       314.0652 805.2610       223.2408 199.4255 34.16922 176.3575 27.36336 23.06796       43.77544 
1 1 1 -6  0   25 o 222.1602 14.56557 1208.184       153.8509 1438.033       240.8711 1049.793       199.9535 239.4067 21.26560 204.5472 20.73293 34.85950       29.69983 
1 1 1 -6  0   26 o 290.2116 15.41439 2067.089       213.1026 2189.138       344.9226 1991.741       271.0148 292.7231 24.88214 282.2356 20.21900 10.48749       32.06133 
1 1 1 -6  0   27 o 154.8218 17.83687 599.0097       129.6157 695.0494       213.6993 543.1161       163.0268 161.8554 28.66546 144.6461 24.44468 17.20926       37.67295 
1 1 1 -6  0   28 o 96.78557 33.57101 244.4854       189.6364 502.8666       332.7494 120.1961       230.7829 129.7991 44.49294 85.75668 35.18999 44.04247       56.72704 
1 1 1 -6  0   29 o 75.53587 26.36045 140.6203       117.0140 308.2180       207.1058 62.03289       141.8190 104.8178 35.10865 67.13714 27.57159 37.68069       44.64090 
1 1 1 -6  0   30 o 225.7805 16.02166 1272.701       171.8192 1131.165       273.7930 1364.654       220.6843 203.4412 28.96722 231.0162 20.18365 -27.57497      35.30552 
1 1 1 -6  0   31 o 172.3511 21.57273 777.0165       173.8745 773.2341       234.2189 781.6602       259.5133 164.9937 30.82569 162.7508 34.42895 2.242889       46.21229 
1 1 1 -6  0   32 o 160.3179 21.03208 682.6265       157.3188 502.3400       238.4781 821.5302       209.3263 123.9136 37.25016 171.4890 26.37538 -47.57542      45.64247 
1 1 1 -6  0   33 f 169.2623 22.70642 784.2103       179.1150 738.0515       306.7888 808.0811       220.6203 141.3728 42.19205 165.7648 28.88791 -24.39207      51.13395 
1 1 1 -6  0   34 o 164.9537 30.84286 851.6738       234.2944 1159.531       320.7363 499.4395       343.0751 182.0554 38.07610 107.1495 43.30009 74.90597       57.66010 
1 1 1 -6  0   35 o 85.66766 41.74303 188.1237       552.1724 188.1237       552.1724 0.000000       0.000000 85.66766 41.74303 ?        ?        0.000000       41.74303 
1 1 1 -6  1   1  o 124.6543 9.747497 375.1789       57.62938 375.1789       57.62938 0.000000       0.000000 124.6543 9.747497 ?        ?        0.000000       9.747497 
1 1 1 -6  1   2  o 255.3438 6.910774 1562.643       84.28706 1511.947       120.5465 1611.135       117.8974 250.7951 10.07423 258.9767 9.538449 -8.181564      13.87344 
1 1 1 -6  1   3  o 272.9985 8.346240 1787.689       108.8051 1795.752       212.3764 1784.820       126.6953 272.2885 16.39018 272.6105 9.736606 -0.3219299     19.06409 
1 1 1 -6  1   4  o 71.57027 9.116016 124.7452       30.48528 158.6556       48.09775 101.9752       39.41309 80.24570 12.97997 63.95655 13.32294 16.28916       18.60055 
1 1 1 -6  1   5  o 170.4972 7.437512 697.3152       60.47938 779.4115       89.01342 626.9181       82.42728 179.9917 10.38828 161.3208 10.74872 18.67088       14.94829 
1 1 1 -6  1   6  o 393.0133 7.383556 3697.506       138.7334 3563.023       198.6628 3825.518       193.8241 385.3398 10.79425 399.3779 10.15940 -14.03809      14.82327 
1 1 1 -6  1   7  o 500.3538 7.572939 5992.804       181.1549 6331.657       259.8810 5672.532       252.6552 513.9695 10.57618 486.4465 10.86388 27.52298       15.16177 
1 1 1 -6  1   8  o 277.3524 8.984064 1844.166       118.9706 1846.283       222.4655 1843.318       140.7953 276.4997 16.90992 277.1266 10.64658 -0.6269226     19.98237 
1 1 1 -6  1   9  o 324.9202 13.05082 2537.582       202.3198 2543.820       287.4022 2531.455       284.8615 324.4053 18.60886 323.6367 18.48750 0.7686768      26.23122 
1 1 1 -6  1   10 o 784.2012 11.46345 14746.18       429.7848 14912.15       1405.941 14729.08       451.3928 775.8517 38.01932 783.6191 12.04873 -7.767395      39.88284 
1 1 1 -6  1   11 o 453.6259 10.10066 4931.295       219.0564 5092.311       513.9490 4895.550       242.1533 457.8589 23.55824 451.8481 11.20958 6.010773       26.08918 
1 1 1 -6  1   12 o 179.4960 10.33737 774.8194       88.33491 736.0454       132.6538 805.7114       118.4057 174.1668 16.11376 182.6518 13.65829 -8.484970      21.12350 
1 1 1 -6  1   13 f 281.3603 10.25811 1900.299       137.7561 2145.076       243.6882 1785.343       166.9998 297.8763 17.18452 272.3745 12.86084 25.50177       21.46413 
1 1 1 -6  1   14 o 463.5840 16.96349 5187.635       375.3351 5388.208       533.4093 4990.933       528.2364 470.2855 23.80154 452.3111 24.51938 17.97443       34.17182 
1 1 1 -6  1   15 o 120.6456 17.92434 359.0155       100.2491 228.3695       158.6955 445.7702       129.3192 96.74737 30.62053 134.0826 20.85093 -37.33527      37.04562 
1 1 1 -6  1   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  1   17 o 326.4536 14.30093 2575.301       222.6584 2505.716       313.6268 2646.014       316.1615 320.1559 20.59938 329.1731 20.18692 -9.017242      28.84174 
1 1 1 -6  1   18 o 291.3784 13.45540 2052.221       186.9340 1825.706       283.8744 2225.652       248.3935 272.2474 21.99708 302.4093 17.25211 -30.16190      27.95544 
1 1 1 -6  1   19 o 41.81342 19.46819 -83.64828      94.67365 -276.4784      154.5203 32.24438       119.7915 44.94994 21.94199 61.16423 25.25199 -16.21430      33.45316 
1 1 1 -6  1   20 o 189.9148 14.96727 879.9408       134.7993 1159.262       212.6699 692.3596       174.2806 216.2632 20.82632 166.1029 22.52643 50.16032       30.67859 
1 1 1 -6  1   21 o 422.5750 13.78143 4330.739       278.0515 4495.603       351.0208 4053.064       455.5520 428.8724 17.15432 403.1400 23.74108 25.73239       29.29009 
1 1 1 -6  1   22 o 236.3526 15.21708 1363.979       171.0355 1318.378       239.9398 1411.087       243.8694 229.7007 22.12230 237.9020 21.67921 -8.201309      30.97393 
1 1 1 -6  1   23 o 194.5461 15.05096 926.7046       138.9015 1140.651       213.4704 769.6105       182.9216 213.6194 21.18064 174.6207 22.42819 38.99869       30.84872 
1 1 1 -6  1   24 f 200.2173 17.27136 990.3563       163.7096 1043.861       315.1946 970.5901       191.5772 196.5692 34.81338 196.8387 20.66532 -0.2694244     40.48489 
1 1 1 -6  1   25 f 248.5733 15.67616 1518.172       185.3468 1619.443       263.5960 1419.137       260.6684 253.5342 21.96315 236.4371 23.36543 17.09711       32.06748 
1 1 1 -6  1   26 o 104.9559 24.03510 289.1386       118.0015 81.25352       192.2957 414.7030       149.4483 77.80360 32.04491 125.4815 25.77479 -47.67790      41.12439 
1 1 1 -6  1   27 o 252.8224 16.47866 1579.234       198.0947 1814.971       354.7640 1472.433       238.7886 262.8557 28.69572 241.7409 20.86520 21.11487       35.47958 
1 1 1 -6  1   28 o 191.5239 23.01491 945.1400       206.5198 956.8738       277.3221 930.5313       309.4358 186.6324 32.24638 180.2708 37.13991 6.361603       49.18539 
1 1 1 -6  1   29 o 156.7447 26.09717 657.0797       188.6935 1112.495       473.6640 571.1725       205.7222 178.3108 52.22441 142.8836 31.00786 35.42722       60.73613 
1 1 1 -6  1   30 o 126.0527 28.76369 443.6171       169.5039 307.4995       320.9962 496.2484       199.6020 105.9848 42.20627 131.3481 32.06915 -25.36325      53.00754 
1 1 1 -6  1   31 o 107.5421 43.11538 349.7480       337.2560 349.7480       337.2560 0.000000       0.000000 107.5421 43.11538 ?        ?        0.000000       43.11538 
1 1 1 -6  1   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  1   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  1   34 o 59.61025 26.74807 9.909387       158.2148 218.6400       331.6567 -51.58620      180.0187 86.22155 38.70494 58.01851 26.95626 28.20304       47.16686 
1 1 1 -6  2   1  o 207.7315 6.686974 1034.062       66.32453 1013.141       93.59525 1055.165       94.00017 205.3532 9.559548 209.5945 9.404768 -4.241272      13.41024 
1 1 1 -6  2   2  o 112.9360 9.945179 308.1423       53.14943 308.1423       53.14943 0.000000       0.000000 112.9360 9.945179 ?        ?        0.000000       9.945179 
1 1 1 -6  2   3  o 526.2161 7.383997 6629.388       185.7651 6411.627       262.4944 6847.871       262.9290 517.0781 10.61832 534.4309 10.29055 -17.35284      14.78662 
1 1 1 -6  2   4  o 333.7628 7.098289 2666.416       113.2661 2662.440       160.4008 2670.371       159.9649 333.1389 10.08261 333.6401 10.03997 -0.5012817     14.22885 
1 1 1 -6  2   5  o 466.4162 7.406078 5207.285       165.1468 5168.017       234.4917 5245.930       232.6253 464.3307 10.56311 467.8374 10.40049 -3.506622      14.82394 
1 1 1 -6  2   6  o 531.7484 7.624891 6768.307       193.8421 6829.230       276.0021 6709.004       272.3036 533.7701 10.81558 529.0574 10.76570 4.712708       15.26031 
1 1 1 -6  2   7  o 347.7936 9.464269 2899.597       157.2219 2896.119       180.9020 2910.338       317.8535 347.4258 10.90463 346.9273 19.23908 0.4985352      22.11455 
1 1 1 -6  2   8  o 182.1149 9.965200 797.0049       86.43343 841.0898       124.2315 755.6437       120.3324 186.6319 14.02576 176.7971 14.35989 9.834808       20.07308 
1 1 1 -6  2   9  o 443.2359 9.671349 4706.730       204.9417 4343.092       473.7928 4790.429       227.3070 422.8257 23.53072 447.0551 10.63515 -24.22940      25.82249 
1 1 1 -6  2   10 o 518.8008 10.36958 6451.138       257.1995 6784.746       657.6340 6390.896       279.4586 527.6846 26.14908 516.2407 11.32288 11.44391       28.49530 
1 1 1 -6  2   11 o 808.4816 12.09211 15683.87       467.3911 15627.24       491.4495 16220.19       1512.354 806.8539 12.74018 806.9635 39.31881 -0.1096191     41.33135 
1 1 1 -6  2   12 o 315.0102 10.04694 2381.008       151.1163 2399.840       280.1100 2373.277       179.4745 314.8109 18.69523 314.2510 11.96774 0.5599060      22.19771 
1 1 1 -6  2   13 o 220.7894 10.45044 1171.607       109.9985 1146.498       167.6172 1190.599       145.7812 217.5741 16.23093 222.1355 13.79507 -4.561371      21.30134 
1 1 1 -6  2   14 o 236.0556 11.72916 1341.155       131.9554 1435.133       191.4449 1256.099       182.1296 243.4063 16.54986 227.5867 16.85854 15.81958       23.62431 
1 1 1 -6  2   15 o 107.1585 19.94651 287.1151       98.42895 432.3366       159.1361 197.1343       125.2645 130.6121 26.39373 89.21992 27.03570 41.39214       37.78304 
1 1 1 -6  2   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  2   17 o 181.5783 15.04419 802.0104       129.4281 1117.672       198.5019 568.5652       170.7050 213.3931 19.67851 150.2616 24.61382 63.13148       31.51323 
1 1 1 -6  2   18 o 45.67585 21.64872 -146.1076      126.5232 -60.26931      157.7272 -301.0289      211.8954 59.69074 26.75150 55.78077 26.85996 3.909966       37.90911 
1 1 1 -6  2   19 o 333.8637 14.99735 2707.149       238.7712 2718.574       347.8075 2696.965       328.3766 331.5600 22.06721 330.8153 20.86878 0.7446594      30.37215 
1 1 1 -6  2   20 o 279.1696 14.43313 1894.822       191.9817 2038.734       286.0301 1776.837       258.9863 286.9744 20.99303 268.0923 20.35837 18.88211       29.24330 
1 1 1 -6  2   21 o 246.9184 14.74706 1485.997       173.2942 1376.431       259.5300 1574.152       232.7942 234.1687 23.49923 252.4068 19.44105 -18.23807      30.49866 
1 1 1 -6  2   22 o 155.3301 17.72303 598.1307       129.2616 695.2444       203.3738 532.3101       167.4309 164.1483 26.84177 143.8175 25.27283 20.33083       36.86729 
1 1 1 -6  2   23 o 294.7301 20.42326 2159.838       285.9983 1831.392       457.4044 2370.671       366.4701 259.4772 37.99756 305.7649 25.29545 -46.28769      45.64728 
1 1 1 -6  2   24 o 164.9648 23.11280 694.1927       177.2908 754.1736       278.2876 653.2181       230.0090 165.1830 36.23714 155.7267 31.96576 9.456314       48.32122 
1 1 1 -6  2   25 o 198.5779 24.03826 1010.091       223.5740 939.9155       298.2844 1100.061       337.7419 184.9000 35.02499 199.0588 36.84581 -14.15875      50.83664 
1 1 1 -6  2   26 o 187.6480 20.23448 887.4293       178.6618 903.4289       304.5752 879.0358       220.6024 179.5575 36.71974 183.9006 25.79969 -4.343124      44.87720 
1 1 1 -6  2   27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  2   28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  2   29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  2   30 o 65.48306 30.31668 -104.1582      224.6587 -129.6790      334.9042 -83.27818      302.9276 78.03325 36.42643 76.84484 35.44436 1.188408       50.82506 
1 1 1 -6  2   31 o 94.63303 32.64503 261.3167       179.2183 -515.0158      582.1947 342.5834       188.3652 83.95417 41.30926 106.3444 33.32035 -22.39022      53.07260 
1 1 1 -6  2   32 o 118.3389 36.16426 466.4440       223.5001 540.0640       322.4026 398.3311       310.1095 118.5793 43.47388 105.6208 41.66771 12.95854       60.21774 
1 1 1 -6  2   33 o 51.77286 24.34773 -97.70177      154.3877 -7.517637      321.3660 -124.7609      176.0320 76.35316 35.65547 53.79652 25.50868 22.55664       43.84068 
1 1 1 -6  2   34 o 75.16344 30.92093 157.9208       178.7654 558.6856       569.8861 114.1820       188.2679 98.69447 46.52647 71.32796 30.65472 27.36651       55.71737 
1 1 1 -6  3   1  o 266.3912 6.886228 1699.482       87.62851 0.000000       0.000000 1699.482       87.62851 ?        ?        266.3912 6.886228 0.000000       6.886228 
1 1 1 -6  3   2  o 440.8369 7.082006 4651.173       149.2597 4389.060       209.3471 4922.175       212.8671 427.9524 10.23206 453.2432 9.823560 -25.29080      14.18441 
1 1 1 -6  3   3  o 56.28365 10.04518 78.18849       26.03840 62.18032       34.23351 100.1621       40.10800 50.13268 13.83279 63.38755 13.63951 -13.25486      19.42632 
1 1 1 -6  3   4  o 167.5333 7.386500 673.0879       59.01728 673.6403       81.04236 672.4642       86.11444 167.3620 10.17664 167.1478 10.83461 0.2142639      14.86448 
1 1 1 -6  3   5  o 376.5905 7.294460 3394.311       131.3321 3296.945       183.7170 3496.067       187.8139 370.7728 10.37433 381.8227 10.29804 -11.04987      14.61767 
1 1 1 -6  3   6  f 228.5535 8.880974 1252.869       96.85667 1262.836       119.8890 1234.138       164.3481 229.2622 10.96985 226.0923 15.29445 3.169830       18.82174 
1 1 1 -6  3   7  o 490.0408 17.58777 5790.017       411.3831 5691.543       581.3121 5888.811       582.2561 483.6664 25.22660 492.1322 24.82728 -8.465759      35.39457 
1 1 1 -6  3   8  o 91.61759 11.66686 204.5378       49.94478 222.4979       78.83730 192.4971       64.55077 94.54896 18.09982 88.13848 15.90395 6.410477       24.09437 
1 1 1 -6  3   9  o 402.8786 9.902405 3889.607       190.7319 3905.905       215.6556 3831.074       408.7024 403.4294 11.19192 397.4244 21.59128 6.004974       24.31959 
1 1 1 -6  3   10 o 290.9591 9.826733 2031.130       136.4979 2033.443       243.3729 2030.069       164.8701 289.9497 17.64009 290.6361 11.89056 -0.6863708     21.27341 
1 1 1 -6  3   11 o 217.5237 10.59324 1137.271       109.8338 1389.897       171.5537 961.7947       142.9786 239.9152 15.03218 199.3930 15.11117 40.52225       21.31464 
1 1 1 -6  3   12 o 508.9749 18.35832 6262.427       445.9905 6315.530       631.8998 6209.718       629.5585 508.2603 26.09213 503.9183 26.22190 4.342041       36.99172 
1 1 1 -6  3   13 f 383.1313 10.58976 3524.338       193.7873 3543.434       387.0900 3517.951       223.8597 381.6462 21.29948 382.4998 12.25737 -0.8535767     24.57460 
1 1 1 -6  3   14 o 229.6584 11.14404 1269.484       121.9930 1500.826       187.7468 1100.437       160.4902 248.9293 15.85814 212.9987 15.87441 35.93063       22.43830 
1 1 1 -6  3   15 o 93.82189 17.99544 220.2041       77.78323 269.6689       159.9584 204.8855       89.01641 103.2042 30.38193 89.98613 21.06536 13.21810       36.97041 
1 1 1 -6  3   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  3   17 o 371.3456 14.71312 3339.740       260.6939 3387.335       350.9321 3281.133       389.4180 372.0419 19.80113 364.9540 22.42705 7.087830       29.91750 
1 1 1 -6  3   18 o 223.6737 17.67087 1225.824       187.4309 1584.913       246.0993 729.8478       289.2276 253.5064 20.47966 164.9436 37.52566 88.56282       42.75034 
1 1 1 -6  3   19 o 326.2998 15.48633 2592.332       240.8976 2752.519       349.4258 2447.235       332.5608 333.1834 22.06052 313.9637 22.30074 19.21970       31.36861 
1 1 1 -6  3   20 o 348.3192 15.83873 2959.742       263.0682 3234.979       377.5766 2700.093       366.7296 360.8805 21.98870 328.7120 23.49061 32.16852       32.17625 
1 1 1 -6  3   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  3   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  3   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  3   24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  3   25 o 143.2077 24.54673 533.7424       162.0167 702.2873       240.6449 394.0039       219.1174 160.3474 32.50521 118.7904 35.70520 41.55696       48.28509 
1 1 1 -6  3   26 o 333.8491 16.87576 2755.063       268.4795 2559.569       386.1659 2937.967       373.5243 314.8602 25.88187 339.9558 23.11958 -25.09564      34.70426 
1 1 1 -6  3   27 o 237.4964 17.98631 1409.305       202.7061 838.5112       295.9499 1913.726       278.2111 170.8401 37.28400 274.5990 21.35965 -103.7589      42.96895 
1 1 1 -6  3   28 o 252.1831 20.15576 1619.061       240.9884 1310.962       425.3510 1764.713       292.4553 203.9375 44.84829 260.3243 23.75993 -56.38681      50.75336 
1 1 1 -6  3   29 o 65.91216 29.45198 -22.08716      189.6567 130.3752       413.1184 -62.80084      213.4831 98.36317 43.74068 66.60635 30.35874 31.75683       53.24377 
1 1 1 -6  3   30 o 136.6639 25.48750 509.8247       160.4045 423.1840       259.8582 563.1599       203.8836 115.7754 39.32690 139.5691 31.32587 -23.79376      50.27838 
1 1 1 -6  3   31 o 103.5215 30.45222 321.2624       160.7507 225.2537       276.1118 370.4904       197.7133 92.03057 38.19771 108.6008 34.15269 -16.57024      51.23936 
1 1 1 -6  3   32 o 157.0769 26.85365 713.1448       194.4216 1171.802       343.5399 497.0247       235.8200 183.7336 40.22701 119.7559 37.24556 63.97769       54.82193 
1 1 1 -6  3   33 o 46.46213 22.84131 -268.4006      176.7244 224.8288       555.1814 -324.0128      186.4213 92.52393 44.26889 45.93709 22.74570 46.58684       49.77049 
1 1 1 -6  3   34 o 78.60652 34.11983 186.2272       237.8451 111.1545       344.2294 254.8099       329.0137 77.81686 36.52005 84.75322 38.25380 -6.936363      52.88731 
1 1 1 -6  4   1  o 570.6326 7.587375 7794.152       206.9934 0.000000       0.000000 7794.152       206.9934 ?        ?        570.6326 7.587375 0.000000       7.587375 
1 1 1 -6  4   2  o 402.2963 7.047567 3873.220       135.5482 0.000000       0.000000 3873.220       135.5482 ?        ?        402.2963 7.047567 0.000000       7.047567 
1 1 1 -6  4   3  o 164.7615 7.263425 650.9786       57.07381 622.6864       76.61194 686.2622       85.55576 160.8992 10.00899 168.8785 10.65085 -7.979385      14.61576 
1 1 1 -6  4   4  o 548.1497 7.627429 7192.465       199.8875 7606.848       281.2498 6769.523       284.1396 563.3786 10.44200 531.3665 11.18483 32.01208       15.30149 
1 1 1 -6  4   5  o 299.6538 9.103539 2152.723       130.2670 2121.338       151.6232 2241.193       254.5645 297.2949 10.68506 304.5656 17.55711 -7.270721      20.55292 
1 1 1 -6  4   6  o 284.2227 9.902855 1938.092       134.3580 1941.316       231.4091 1936.453       165.0218 283.4350 17.15763 283.8374 12.18924 -0.4024658     21.04666 
1 1 1 -6  4   7  f 480.3673 10.63420 5531.925       244.2230 5347.518       549.6780 5577.281       272.6077 468.7499 24.61407 482.1685 11.82581 -13.41864      27.30755 
1 1 1 -6  4   8  o 292.6251 12.88516 2059.787       179.8224 2154.085       249.2653 1957.454       259.6681 298.4787 17.54526 284.1497 19.22774 14.32904       26.02964 
1 1 1 -6  4   9  o 657.6185 8.700415 10359.27       273.5409 9676.009       372.6505 11157.55       402.7964 634.9084 12.27672 681.7663 12.35782 -46.85791      17.41934 
1 1 1 -6  4   10 o 79.90168 18.46755 160.2179       69.13243 224.2615       94.27349 85.71243       101.6824 94.40308 21.38539 66.33783 24.39906 28.06525       32.44455 
1 1 1 -6  4   11 o 432.1876 11.51317 4486.444       237.6778 4527.400       275.3455 4366.717       470.7754 433.8134 13.29166 423.2393 23.35643 10.57404       26.87362 
1 1 1 -6  4   12 o 475.7370 17.65454 5474.512       400.8461 5759.569       566.9754 5189.642       566.7886 485.3663 24.51289 460.0795 25.87219 25.28680       35.64059 
1 1 1 -6  4   13 o 345.2537 14.54251 2877.361       239.5039 2886.979       340.0509 2867.894       337.3841 344.1071 20.76672 342.9949 20.67039 1.112244       29.30054 
1 1 1 -6  4   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  4   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  4   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  4   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  4   18 o 209.7191 36.35559 1169.818       351.3127 1169.818       351.3127 0.000000       0.000000 209.7191 36.35559 ?        ?        0.000000       36.35559 
1 1 1 -6  4   19 o 269.9617 17.56455 1788.941       225.4671 1767.652       301.0180 1816.150       340.3005 265.3892 23.98328 267.3753 26.99063 -1.986145      36.10668 
1 1 1 -6  4   20 o 212.1314 17.14133 1107.068       172.3639 907.7338       263.9329 1255.300       227.6012 186.1870 30.72128 224.2210 21.49487 -38.03400      37.49435 
1 1 1 -6  4   21 o 225.9050 18.57449 1262.893       198.8389 1063.378       372.3708 1342.472       235.1741 194.7863 41.27077 231.6600 21.47848 -36.87376      46.52528 
1 1 1 -6  4   22 o 392.8190 14.30018 3761.068       268.1124 4306.444       419.9543 3385.829       348.3437 415.6544 21.20306 369.4283 19.79512 46.22614       29.00718 
1 1 1 -6  4   23 o 340.0131 16.05863 2839.851       260.3057 2743.899       378.4850 2925.975       358.5768 328.6274 24.26105 341.0981 22.10754 -12.47067      32.82288 
1 1 1 -6  4   24 o 197.8709 20.74269 988.1058       193.3124 1246.300       251.3566 614.2785       302.4489 220.4216 24.25242 144.7249 41.54000 75.69673       48.10147 
1 1 1 -6  4   25 o 88.88408 28.70161 205.4155       138.8953 -144.8070      218.2122 443.9519       180.0878 63.76197 29.64301 127.7622 29.99894 -64.00020      42.17398 
1 1 1 -6  4   26 o 87.80346 30.22673 195.9329       153.6219 158.3278       224.8174 228.8715       210.4064 88.90640 35.34900 95.78957 35.12005 -6.883163      49.82941 
1 1 1 -6  4   27 o 219.6614 18.59373 1216.263       193.4343 1616.977       282.5064 862.5853       265.4083 249.3943 23.98931 175.4443 32.84919 73.95001       40.67623 
1 1 1 -6  4   28 o 293.6365 17.31104 2165.042       241.9415 2048.413       351.6192 2269.909       333.4197 276.4313 26.94756 294.4451 23.89034 -18.01376      36.01276 
1 1 1 -6  4   29 o 81.24427 36.23056 28.18770       285.5045 -193.0399      442.6530 185.7781       373.6015 85.17828 40.40690 98.27016 42.70788 -13.09187      58.79354 
1 1 1 -6  4   30 o 145.4824 32.05091 626.0391       216.8966 474.6649       459.8046 669.3621       245.9839 115.5569 48.71697 147.4275 35.35606 -31.87060      60.19463 
1 1 1 -6  4   31 o 74.88534 34.66703 -24.11383      293.6775 -225.3276      467.9242 106.6557       377.2246 80.36943 38.99254 87.48855 40.05815 -7.119118      55.90236 
1 1 1 -6  4   32 o 124.9803 31.76271 497.6865       190.1542 507.5145       310.2472 491.7730       240.6554 112.2055 42.35120 116.8725 37.78330 -4.667091      56.75564 
1 1 1 -6  4   33 o 130.2138 37.03352 629.1680       241.4657 710.0203       324.7401 529.1869       361.1175 124.5734 43.88050 104.6645 43.58265 19.90897       61.84615 
1 1 1 -6  4   34 o 62.21343 27.73000 52.33001       167.0322 81.49236       315.5739 40.98037       196.8706 73.63313 34.68447 64.07746 29.18580 9.555664       45.33015 
1 1 1 -6  5   1  o 285.1855 7.180941 1947.865       97.82992 0.000000       0.000000 1947.865       97.82992 ?        ?        285.1855 7.180941 0.000000       7.180941 
1 1 1 -6  5   2  o 214.5384 9.628823 1104.987       98.50959 0.000000       0.000000 1104.987       98.50959 ?        ?        214.5384 9.628823 0.000000       9.628823 
1 1 1 -6  5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5   9  o 603.6138 11.98629 8748.278       345.9015 8748.278       345.9015 0.000000       0.000000 603.6138 11.98629 ?        ?        0.000000       11.98629 
1 1 1 -6  5   10 o 211.9631 12.06011 1082.619       121.7094 1298.040       170.1705 857.0194       174.1446 231.6046 15.45687 187.1358 19.76272 44.46877       25.08944 
1 1 1 -6  5   11 o 139.7764 17.25351 479.0323       112.8527 424.4466       128.1603 667.4645       238.1178 130.5777 21.26014 161.5248 31.96705 -30.94710      38.39122 
1 1 1 -6  5   12 o 169.6397 14.46161 698.7067       116.1704 777.7098       148.9242 575.9137       185.6649 178.3890 17.69475 150.9718 26.69979 27.41718       32.03097 
1 1 1 -6  5   13 o 315.6352 12.72386 2402.860       191.6115 2504.924       241.8235 2230.680       314.0899 321.5186 15.78021 301.4435 21.94444 20.07513       27.02912 
1 1 1 -6  5   14 o 308.2733 14.01370 2298.812       205.9965 2188.275       289.0508 2412.895       293.6497 298.8001 20.35571 314.0811 19.65450 -15.28098      28.29583 
1 1 1 -6  5   15 o 303.7927 15.12626 2239.842       219.0024 1657.744       292.1240 2986.840       330.9248 258.2141 23.93594 349.0789 19.91142 -90.86484      31.13510 
1 1 1 -6  5   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5   17 o 307.6077 15.80011 2306.878       231.5837 2756.004       348.0173 1949.954       310.2452 333.3536 21.95901 279.4539 23.43701 53.89969       32.11684 
1 1 1 -6  5   18 o 190.9944 18.79240 902.9963       169.3776 1201.241       233.7285 573.1504       245.7993 218.9577 22.65451 145.4089 35.63913 73.54880       42.23002 
1 1 1 -6  5   19 f 206.9583 18.25030 1058.303       178.7283 1216.594       250.7085 894.7227       254.8626 219.3717 24.31218 185.2246 29.79058 34.14719       38.45206 
1 1 1 -6  5   20 f 226.0984 20.16705 1272.851       215.7099 1453.479       265.4750 921.8658       370.0625 240.1029 23.42447 179.4604 43.57382 60.64253       49.47104 
1 1 1 -6  5   21 o 178.8518 31.34596 850.2646       258.2647 799.5248       367.0143 900.0357       363.4941 165.0998 45.18869 176.5642 43.37852 -11.46439      62.63956 
1 1 1 -6  5   22 o 148.0433 23.58624 563.8505       161.3418 1037.727       231.3270 114.9739       225.1423 201.2366 24.55194 85.62428 34.90166 115.6123       42.67229 
1 1 1 -6  5   23 o 62.34677 26.33172 25.78748       134.7210 -51.47422      215.7511 75.16569       172.4799 69.69113 31.25625 74.25815 30.44122 -4.567017      43.63050 
1 1 1 -6  5   24 o 172.5397 30.11828 800.2771       239.4099 507.9488       382.0177 989.3464       307.2264 130.8833 47.42288 188.5433 35.38234 -57.65994      59.16789 
1 1 1 -6  5   25 o 57.16827 26.12806 -79.18848      159.5266 675.9711       385.6491 -235.0808      175.2207 146.5173 47.86401 50.58271 24.37416 95.93462       53.71279 
1 1 1 -6  5   26 o 288.3994 16.60032 2067.177       227.9188 1879.972       343.2381 2214.823       304.8225 266.5216 27.32376 294.5567 21.80011 -28.03513      34.95473 
1 1 1 -6  5   27 o 176.2259 25.72627 829.7938       210.3591 801.2828       276.0473 869.2805       324.8639 165.1852 35.97577 167.5744 40.91156 -2.389206      54.47947 
1 1 1 -6  5   28 o 168.9769 22.15499 749.2891       174.6740 1319.164       284.2603 403.5654       221.4069 219.8265 27.65837 115.4700 36.11670 104.3566       45.49068 
1 1 1 -6  5   29 o 130.6783 35.04062 521.9625       223.3934 325.4066       283.3891 844.5776       363.0634 104.0675 40.18095 154.8760 45.81916 -50.80856      60.94181 
1 1 1 -6  5   30 o 187.3717 23.06384 953.4456       202.2519 1103.147       308.8811 841.0884       267.5955 187.2530 35.80733 163.4499 35.27963 23.80309       50.26746 
1 1 1 -6  5   31 o 90.27667 33.03086 257.1501       185.9705 670.1530       290.9191 -28.24519      241.8350 133.1902 41.35967 68.39201 31.58959 64.79817       52.04349 
1 1 1 -6  5   32 o 77.13702 33.57095 135.1730       231.5284 -35.43325      287.4531 450.2731       390.6553 70.68770 33.23666 100.9897 43.78214 -30.30197      54.96864 
1 1 1 -6  5   33 o 109.7355 36.48598 478.3575       223.7441 332.0169       513.1376 512.7119       248.6234 87.88638 42.18484 110.2092 38.42660 -22.32285      57.06281 
1 1 1 -6  6   1  f 328.5786 7.211992 2584.474       113.2929 0.000000       0.000000 2584.474       113.2929 ?        ?        328.5786 7.211992 0.000000       7.211992 
1 1 1 -6  6   2  o 227.0930 7.532389 1236.065       81.66643 0.000000       0.000000 1236.065       81.66643 ?        ?        227.0930 7.532389 0.000000       7.532389 
1 1 1 -6  6   3  o 468.0088 7.458138 5244.041       166.8756 0.000000       0.000000 5244.041       166.8756 ?        ?        468.0088 7.458138 0.000000       7.458138 
1 1 1 -6  6   4  o 205.3295 6.498325 1010.050       63.71095 1038.484       108.3875 995.0385       78.75261 207.7860 10.94939 203.6707 8.103934 4.115341       13.62215 
1 1 1 -6  6   5  o 485.0596 10.37230 5642.287       240.5351 5287.526       543.5276 5728.686       268.2309 465.5665 24.50550 488.5836 11.48316 -23.01715      27.06256 
1 1 1 -6  6   6  o 355.0435 8.560090 3020.116       145.3009 2995.023       193.4147 3052.623       220.1431 353.0641 11.47373 356.2000 12.94870 -3.135895      17.30074 
1 1 1 -6  6   7  o 322.3717 8.761895 2492.245       134.9151 2403.933       173.7749 2626.249       214.0602 316.2325 11.51324 330.1959 13.58892 -13.96335      17.81049 
1 1 1 -6  6   8  o 572.4194 10.67033 7863.649       292.0119 7814.296       314.4653 8172.693       786.9109 570.4316 11.53084 575.8841 28.67148 -5.452515      30.90330 
1 1 1 -6  6   9  o 572.7941 11.02896 7878.962       302.0239 7757.063       325.9016 8620.590       803.8547 568.1069 11.99908 590.8628 28.54099 -22.75592      30.96072 
1 1 1 -6  6   10 o 213.7848 12.56203 1103.389       127.8282 1277.806       172.6507 891.7810       190.1691 229.4841 15.83353 190.2557 21.27068 39.22842       26.51683 
1 1 1 -6  6   11 o 533.9457 11.31843 6854.646       288.9293 6853.522       318.1111 6859.941       690.5661 533.5729 12.47030 526.0849 27.55227 7.487976       30.24295 
1 1 1 -6  6   12 o 71.52141 27.00641 95.48517       126.1862 318.7251       167.5385 -197.1695      191.8255 111.1156 30.57872 57.34040 27.01974 53.77522       40.80593 
1 1 1 -6  6   13 o 126.0387 17.86589 393.5472       104.6421 343.0744       129.6733 487.7769       177.1805 115.9632 24.17412 137.7343 27.86514 -21.77111      36.88976 
1 1 1 -6  6   14 o 269.4792 13.82220 1760.308       177.4832 1765.944       234.2838 1752.716       271.8926 268.5014 18.36154 266.2924 21.54022 2.209045       28.30419 
1 1 1 -6  6   15 o 168.6254 16.68952 698.5874       132.7844 673.0475       181.7834 727.8026       194.4241 163.1745 24.01997 169.5425 24.71285 -6.367935      34.46279 
1 1 1 -6  6   16 o 263.4321 16.06948 1695.765       201.4224 1871.736       259.1373 1427.181       320.1479 275.2844 19.82247 235.8337 29.00488 39.45065       35.13137 
1 1 1 -6  6   17 o 241.7654 17.23279 1435.827       197.8798 1551.923       244.4059 1214.914       337.1422 249.9716 20.63453 214.1481 34.07011 35.82355       39.83160 
1 1 1 -6  6   18 o 105.2359 29.24293 292.0214       152.3969 381.0809       173.2257 -12.94491      320.5517 119.6807 30.26161 88.31998 38.93764 31.36077       49.31435 
1 1 1 -6  6   19 o 87.43506 30.12518 186.0147       152.6021 240.1401       174.3367 8.634261       315.6031 97.03647 32.20483 88.75076 38.89772 8.285713       50.49935 
1 1 1 -6  6   20 o 232.1559 18.14005 1334.578       199.7410 1331.865       327.0558 1336.192       252.2481 224.5870 31.30991 229.7748 23.28344 -5.187881      39.01831 
1 1 1 -6  6   21 o 69.04752 28.06304 64.96545       145.0547 -37.77940      197.9610 184.0903       213.1577 68.02000 30.26126 91.69086 34.98854 -23.67086      46.25951 
1 1 1 -6  6   22 o 286.0383 17.86951 2030.472       243.1478 2416.859       374.6457 1749.281       319.6023 306.2367 25.82971 260.1055 26.05136 46.13116       36.68579 
1 1 1 -6  6   23 o 207.6886 18.72926 1080.045       183.9734 1339.808       258.0213 811.4127       262.3891 228.3329 23.99437 171.7150 33.16234 56.61781       40.93251 
1 1 1 -6  6   24 o 193.2937 23.88595 964.7000       216.0421 1100.843       260.2105 662.6188       387.6044 204.4302 27.30615 145.0109 48.01617 59.41930       55.23747 
1 1 1 -6  6   25 o 398.9494 16.94395 3954.673       322.4415 4234.949       447.6835 3652.556       464.8003 406.3015 23.14271 373.7218 26.17974 32.57965       34.94229 
1 1 1 -6  6   26 o 190.7289 23.00747 950.5226       205.5610 631.3766       424.9628 1048.006       234.8663 135.1306 49.84895 198.6776 25.29963 -63.54698      55.90160 
1 1 1 -6  6   27 o 60.29813 28.13671 -122.7558      199.5060 -264.3368      253.2204 108.9788       323.9602 61.46031 29.53516 90.18866 39.47170 -28.72835      49.29849 
1 1 1 -6  6   28 o 282.8203 17.21417 2024.225       231.6558 2432.207       357.3232 1728.420       304.2589 301.0978 25.04915 253.1245 25.48875 47.97336       35.73705 
1 1 1 -6  6   29 o 52.08726 24.53492 -118.1105      157.8927 -183.0749      268.7572 -83.87042      195.1147 65.46716 31.17845 60.64695 28.13843 4.820213       41.99842 
1 1 1 -6  6   30 o 189.0358 26.92844 1031.936       236.4947 1365.261       315.8156 606.3966       356.8366 209.9976 32.50584 119.7588 45.37084 90.23878       55.81347 
1 1 1 -6  6   31 o 59.67000 27.02692 -8.438970      165.9409 173.1806       288.9922 -97.77688      202.6855 83.38073 36.85635 58.81630 27.73325 24.56443       46.12508 
1 1 1 -6  6   32 o 67.86917 29.89141 83.21077       188.4642 187.5822       299.7485 14.97747       242.3620 80.75150 36.47415 67.54150 31.34539 13.21001       48.09259 
1 1 1 -6  6   33 o 49.01264 24.56491 -432.5270      246.9103 -879.6628      307.0359 385.9199       415.3983 46.60519 23.78297 86.76026 40.52271 -40.15507      46.98638 
1 1 1 -6  7   1  o 422.9914 9.227463 4288.736       186.6045 0.000000       0.000000 4288.736       186.6045 ?        ?        422.9914 9.227463 0.000000       9.227463 
1 1 1 -6  7   2  o 324.4410 7.479188 2520.847       116.0109 0.000000       0.000000 2520.847       116.0109 ?        ?        324.4410 7.479188 0.000000       7.479188 
1 1 1 -6  7   3  o 530.6744 7.534142 6744.761       191.1482 0.000000       0.000000 6744.761       191.1482 ?        ?        530.6744 7.534142 0.000000       7.534142 
1 1 1 -6  7   4  o 123.6800 9.241081 368.7810       54.24752 0.000000       0.000000 368.7810       54.24752 ?        ?        123.6800 9.241081 0.000000       9.241081 
1 1 1 -6  7   5  o 312.9428 7.860412 2347.829       117.5100 2372.378       266.4414 2341.900       130.9318 312.6995 17.89715 312.4361 8.774166 0.2633972      19.93223 
1 1 1 -6  7   6  o 345.0855 8.319143 2854.318       137.2504 2705.777       177.2335 3076.852       216.9313 335.4596 11.06603 357.4217 12.71527 -21.96210      16.85631 
1 1 1 -6  7   7  o 214.5039 10.60668 1107.693       108.4362 1030.228       134.4133 1252.078       183.5067 206.3524 13.70224 226.8817 17.04237 -20.52936      21.86764 
1 1 1 -6  7   8  o 322.7856 10.45233 2505.256       161.0878 2622.834       192.7545 2232.961       293.3329 329.9262 12.24146 302.2026 20.42266 27.72360       23.81047 
1 1 1 -6  7   9  o 133.6917 13.71162 435.4568       86.39932 379.5127       97.55227 639.0121       186.0806 124.0745 16.88304 159.3283 25.27120 -35.25380      30.39195 
1 1 1 -6  7   10 o 130.0872 18.05463 418.6616       109.2648 463.2375       129.9182 310.9308       201.9714 136.3197 20.57437 110.5258 34.48378 25.79383       40.15514 
1 1 1 -6  7   11 o 247.4512 13.78119 1483.502       162.3924 1760.367       214.4245 1111.112       248.6791 268.7916 16.76947 210.5979 25.19844 58.19370       30.26841 
1 1 1 -6  7   12 f 165.5665 14.02705 667.6107       109.9878 795.7896       143.8818 487.4034       170.6018 180.1621 16.90190 137.7108 26.87745 42.45125       31.75014 
1 1 1 -6  7   13 o 59.13156 23.31577 52.16029       97.05519 34.88993       109.9726 112.9924       206.3957 59.28441 24.30555 84.76223 33.81427 -25.47782      41.64330 
1 1 1 -6  7   14 o 88.69816 26.74343 200.4553       122.7879 67.43165       161.1426 384.6212       189.6053 72.82685 29.58601 120.3248 32.28994 -47.49793      43.79466 
1 1 1 -6  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  7   16 o 360.8087 13.59477 3161.953       234.0883 3246.367       328.7136 3075.095       333.4386 362.8831 19.01342 352.6721 19.85610 10.21097       27.49136 
1 1 1 -6  7   17 o 221.4677 15.08777 1199.909       158.7971 1311.129       221.3593 1081.989       227.9309 229.4432 20.39188 206.9217 23.45345 22.52147       31.07882 
1 1 1 -6  7   18 f 126.3613 21.66760 407.3979       126.1887 552.1567       173.0873 243.1674       184.3613 145.9215 25.75171 97.82440 33.12609 48.09709       41.95817 
1 1 1 -6  7   19 f 316.2338 15.51570 2450.364       233.8622 2650.407       323.1982 2230.519       338.8166 325.7597 20.86180 296.6156 24.10000 29.14407       31.87514 
1 1 1 -6  7   20 o 244.3867 17.40430 1478.919       202.0184 1487.769       303.9474 1471.916       270.3834 239.4630 27.02052 240.2278 23.85718 -0.7647552     36.04544 
1 1 1 -6  7   21 o 68.91172 26.96206 85.34621       128.9209 241.0428       173.2733 -107.7272      192.9538 95.96622 32.11275 61.69752 28.39642 34.26870       42.86707 
1 1 1 -6  7   22 o 185.4257 18.40799 861.5358       161.0344 776.7380       221.7253 956.1970       234.2659 170.9453 28.10593 191.0963 26.34179 -20.15105      38.52056 
1 1 1 -6  7   23 o 244.3145 18.95269 1496.351       219.6449 1399.421       267.8913 1695.156       383.6574 232.7100 24.44328 249.0994 33.02845 -16.38945      41.08956 
1 1 1 -6  7   24 o 99.09255 32.89999 267.9307       181.9398 214.8483       205.0271 464.6107       394.6533 92.91954 34.56055 124.2943 47.56438 -31.37477      58.79457 
1 1 1 -6  7   25 o 112.2137 33.36591 364.7148       192.1377 384.6030       218.0471 295.6299       406.3909 114.1243 35.86265 108.9327 45.85514 5.191589       58.21360 
1 1 1 -6  7   26 o 116.2954 34.68104 404.2117       207.3443 460.2612       368.1657 378.1765       250.9211 118.7638 45.81351 111.3119 38.61607 7.451942       59.91726 
1 1 1 -6  7   27 o 52.55103 24.80069 -135.7004      162.7344 -191.3653      222.4126 -71.56493      238.7358 59.77348 28.43750 68.83279 31.64601 -9.059307      42.54599 
1 1 1 -6  7   28 o 72.24461 31.34873 58.83610       200.6531 85.53569       235.4223 -12.06285      383.6323 78.06004 33.91360 84.54806 39.30576 -6.488014      51.91411 
1 1 1 -6  7   29 o 89.88570 34.28046 249.7232       204.5439 417.5186       251.1512 -80.81730      352.4988 108.3267 38.54857 76.27682 36.14730 32.04990       52.84524 
1 1 1 -6  7   30 o 62.96431 27.70010 36.55547       161.4244 243.3187       256.0809 -99.77705      207.9411 87.87945 36.65557 59.46931 28.05621 28.41014       46.16039 
1 1 1 -6  7   31 o 108.4051 34.17304 425.3646       197.8356 216.5794       456.4613 473.6551       219.5256 86.19210 40.92966 111.9320 36.07786 -25.73990      54.56051 
1 1 1 -6  7   32 o 132.0298 41.58151 801.6429       292.9771 1591.659       488.0621 356.5955       366.3197 154.4716 53.84049 86.57720 39.57821 67.89437       66.82240 
1 1 1 -6  8   1  f 273.0080 8.604216 1789.022       112.1637 0.000000       0.000000 1789.022       112.1637 ?        ?        273.0080 8.604216 0.000000       8.604216 
1 1 1 -6  8   2  o 330.9386 7.718557 2624.750       122.1214 0.000000       0.000000 2624.750       122.1214 ?        ?        330.9386 7.718557 0.000000       7.718557 
1 1 1 -6  8   3  o 163.9347 9.228738 646.8599       72.03847 0.000000       0.000000 646.8599       72.03847 ?        ?        163.9347 9.228738 0.000000       9.228738 
1 1 1 -6  8   4  o 144.8379 9.150872 505.3691       63.04160 0.000000       0.000000 505.3691       63.04160 ?        ?        144.8379 9.150872 0.000000       9.150872 
1 1 1 -6  8   5  f 346.0239 8.929092 2874.874       147.5906 0.000000       0.000000 2874.874       147.5906 ?        ?        346.0239 8.929092 0.000000       8.929092 
1 1 1 -6  8   6  o 92.91234 8.931327 209.0650       39.18512 206.0021       67.11021 210.6495       48.26757 90.96410 16.01632 92.94498 11.08021 -1.980873      19.47546 
1 1 1 -6  8   7  o 318.1369 9.703397 2433.519       147.4138 2523.735       171.7859 2181.518       287.1096 323.6940 11.11705 298.2706 20.25409 25.42346       23.10448 
1 1 1 -6  8   8  o 208.4772 12.40261 1051.409       123.0587 1116.457       155.0749 940.7888       202.2285 214.2183 15.24132 194.6145 22.12739 19.60373       26.86856 
1 1 1 -6  8   9  o 134.1420 13.51876 439.0345       85.51680 504.9832       109.6508 336.6413       136.6295 143.3472 16.28828 114.3602 25.62601 28.98702       30.36446 
1 1 1 -6  8   10 o 190.0600 14.04998 878.8585       126.7632 923.3615       155.2822 789.9542       219.4766 194.0962 16.90227 176.0558 26.92996 18.04033       31.79480 
1 1 1 -6  8   11 o 371.3512 12.58027 3335.546       223.0261 3259.759       360.4382 3382.564       283.9010 363.4217 20.83219 372.6334 15.97300 -9.211731      26.25103 
1 1 1 -6  8   12 o 211.6893 12.93822 1088.074       130.3174 1126.718       169.5514 1032.292       203.7074 214.3493 16.67628 203.5148 21.24914 10.83455       27.01156 
1 1 1 -6  8   13 o 109.3096 21.91566 305.6242       110.5398 137.5822       154.0503 483.9797       158.7074 80.72889 29.97064 137.1541 25.12939 -56.42516      39.11170 
1 1 1 -6  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  8   15 o 231.4086 14.80663 1308.313       162.9520 1417.011       210.5791 1146.073       257.2672 239.4332 18.54032 211.8351 25.94350 27.59810       31.88744 
1 1 1 -6  8   16 o 50.35535 23.78126 -154.1182      150.1181 -167.2397      240.2049 -145.7088      192.2969 66.91968 31.10761 59.66301 27.76776 7.256672       41.69810 
1 1 1 -6  8   17 o 130.9827 33.55781 469.0654       211.0677 761.6949       287.0717 124.7355       311.4000 165.5934 37.17447 96.16952 40.28932 69.42390       54.81944 
1 1 1 -6  8   18 o 140.4683 24.84863 512.8070       160.7701 423.1917       194.1185 708.5223       286.8721 124.4113 32.34130 158.2065 38.33458 -33.79523      50.15475 
1 1 1 -6  8   19 o 83.76243 27.43447 178.5576       126.6595 274.2340       186.6609 96.91241       172.4314 101.4604 33.30873 76.70368 30.80246 24.75667       45.36808 
1 1 1 -6  8   20 o 230.7865 17.69814 1325.610       193.7849 1496.745       316.9155 1223.411       244.9047 238.2934 28.37449 218.1943 23.86597 20.09909       37.07690 
1 1 1 -6  8   21 o 150.7204 25.26193 595.9386       175.5963 389.0401       289.7800 715.9933       220.7392 117.3579 41.44147 163.1399 29.38207 -45.78197      50.80061 
1 1 1 -6  8   22 o 152.6061 21.25261 596.9886       150.8563 630.8952       200.9577 553.2114       228.3423 153.1023 28.50318 139.7550 34.40853 13.34727       44.68085 
1 1 1 -6  8   23 o 124.3439 25.99079 415.9448       149.5256 384.3195       200.7315 455.3687       224.1184 115.8502 34.01570 125.0493 35.71581 -9.199120      49.32228 
1 1 1 -6  8   24 o 242.2861 19.50596 1496.302       224.0378 1182.680       353.4530 1706.931       289.6595 198.4267 38.64850 254.8664 24.05668 -56.43979      45.52396 
1 1 1 -6  8   25 o 102.1683 33.41222 304.1704       187.9012 276.1412       212.5368 404.4870       402.0819 98.42187 35.41068 114.0277 46.58024 -15.60580      58.51184 
1 1 1 -6  8   26 o 192.6258 24.43034 997.7516       219.9310 1038.151       253.9538 876.5494       439.8655 192.9942 28.36935 149.8083 51.16086 43.18590       58.50003 
1 1 1 -6  8   27 o 56.39405 26.05515 -73.57209      164.6877 -18.02236      214.5573 -153.2335      256.9369 67.86525 30.73615 65.45352 30.97165 2.411728       43.63432 
1 1 1 -6  8   28 o 171.0863 24.43476 821.1406       194.1917 935.7102       261.9253 681.2944       289.3796 173.1543 32.84127 135.8113 41.07892 37.34300       52.59303 
1 1 1 -6  8   29 o 96.81255 32.73051 312.0462       179.9812 296.2451       244.9862 330.5747       265.2882 92.64849 36.87973 95.68604 38.28111 -3.037552      53.15598 
1 1 1 -6  8   30 o 113.0189 41.62493 569.0638       296.1083 678.4776       424.7660 465.6264       413.0024 109.5109 46.52537 97.56179 43.53696 11.94910       63.71873 
1 1 1 -6  8   31 o 58.09459 26.47228 12.46059       162.1889 255.7918       247.2294 -171.3822      214.8941 81.88272 35.15871 54.00309 26.25212 27.87963       43.87834 
1 1 1 -6  9   1  o 252.5132 8.682570 1532.255       104.6632 0.000000       0.000000 1532.255       104.6632 ?        ?        252.5132 8.682570 0.000000       8.682570 
1 1 1 -6  9   2  o 285.3723 9.086052 1957.562       123.8059 0.000000       0.000000 1957.562       123.8059 ?        ?        285.3723 9.086052 0.000000       9.086052 
1 1 1 -6  9   3  o 112.6898 10.42268 307.9857       55.51686 0.000000       0.000000 307.9857       55.51686 ?        ?        112.6898 10.42268 0.000000       10.42268 
1 1 1 -6  9   4  o 223.2483 8.455099 1198.061       90.08025 0.000000       0.000000 1198.061       90.08025 ?        ?        223.2483 8.455099 0.000000       8.455099 
1 1 1 -6  9   5  o 389.7241 7.960880 3644.646       148.3292 0.000000       0.000000 3644.646       148.3292 ?        ?        389.7241 7.960880 0.000000       7.960880 
1 1 1 -6  9   6  f 66.36900 12.76633 109.8761       39.03728 0.000000       0.000000 109.8761       39.03728 ?        ?        66.36900 12.76633 0.000000       12.76633 
1 1 1 -6  9   7  o 200.1920 7.809756 963.3070       74.60340 857.4771       130.4501 1014.742       90.94330 187.5244 14.66712 205.2443 9.292212 -17.71989      17.36288 
1 1 1 -6  9   8  o 182.8861 11.28171 809.5425       98.16232 874.0402       123.8606 700.6168       160.9633 189.5015 13.76523 167.6478 20.50921 21.85371       24.70039 
1 1 1 -6  9   9  o 103.9864 19.56062 273.6261       93.67680 325.0819       105.9471 89.28125       200.5337 113.3684 20.29254 81.13223 32.98814 32.23616       38.72989 
1 1 1 -6  9   10 o 106.6465 22.86270 292.4504       113.0673 264.5158       131.7259 370.6383       220.3786 100.6992 26.86529 117.7988 35.89349 -17.09964      44.83399 
1 1 1 -6  9   11 o 287.0278 12.08397 1995.184       165.4509 1895.317       207.9578 2167.418       273.1006 278.5062 15.68158 296.2250 19.39040 -17.71875      24.93791 
1 1 1 -6  9   12 o 161.7164 19.35610 652.2846       146.6821 771.0931       176.6235 388.2164       263.3193 175.1884 21.54094 120.2815 39.56535 54.90687       45.04918 
1 1 1 -6  9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  9   14 o 290.1031 13.41536 2048.160       185.5605 1867.932       247.0265 2281.552       281.1091 274.6014 18.93209 303.2924 19.48990 -28.69104      27.17132 
1 1 1 -6  9   15 o 293.3516 12.36203 2089.883       172.9864 1988.825       209.7812 2304.603       305.7861 284.8998 15.45953 303.5650 21.20298 -18.66519      26.24049 
1 1 1 -6  9   16 o 252.1713 13.76511 1553.097       165.3233 1404.888       209.9030 1795.263       268.3103 237.7059 18.61861 267.4255 21.15812 -29.71962      28.18366 
1 1 1 -6  9   17 o 156.8445 21.38614 626.0887       156.1922 514.5355       222.8140 733.8688       219.0134 135.9844 34.28590 166.3766 28.56246 -30.39217      44.62440 
1 1 1 -6  9   18 o 278.3926 15.71974 1909.773       208.3739 1640.159       252.0178 2492.383       370.4665 255.0382 20.85074 311.2262 25.11102 -56.18800      32.63919 
1 1 1 -6  9   19 o 124.9954 21.24455 402.3710       122.4161 467.2059       160.6165 312.5078       189.0936 132.6426 26.25746 106.6085 33.38203 26.03405       42.47133 
1 1 1 -6  9   20 o 83.48643 27.75271 178.3756       129.4539 129.9191       184.8255 225.0394       181.3743 81.56670 32.17113 93.53182 32.80602 -11.96513      45.94798 
1 1 1 -6  9   21 o 145.3271 21.90915 545.8318       147.4964 536.1259       214.8623 554.4820       202.8393 137.9462 33.01918 141.6619 30.82743 -3.715637      45.17296 
1 1 1 -6  9   22 o 64.62864 26.99464 46.75722       139.1677 179.9453       205.2800 -66.51861      189.3139 87.97343 34.13519 62.91265 28.64165 25.06078       44.55957 
1 1 1 -6  9   23 o 98.54549 33.78374 274.9473       191.8465 84.54646       366.4105 346.8571       225.1788 92.39601 41.13401 108.2027 36.61013 -15.80665      55.06640 
1 1 1 -6  9   24 o 63.60117 27.81294 10.99488       160.5607 -15.61169      227.7430 37.28799       226.3974 71.24030 32.01895 75.00040 32.90594 -3.760101      45.91312 
1 1 1 -6  9   25 o 83.20750 30.26517 184.3204       155.7968 370.9639       208.9949 -49.12721      233.7351 109.8043 35.18378 69.19884 31.62653 40.60542       47.30894 
1 1 1 -6  9   26 o 181.8250 21.38024 882.7534       182.3073 922.3477       249.1762 837.1440       267.4340 176.9566 30.55749 163.2311 35.29848 13.72552       46.68772 
1 1 1 -6  9   27 o 115.3597 41.11727 510.4012       285.8466 757.3170       379.1636 185.2944       435.0760 130.6334 47.25745 91.30312 42.24210 39.33030       63.38502 
1 1 1 -6  9   28 o 73.82447 31.76431 114.8382       202.5876 116.3766       224.8478 108.2026       466.9842 75.50829 32.96885 86.41351 41.13838 -10.90522      52.71917 
1 1 1 -6  9   29 o 114.8693 42.51629 610.9155       309.5867 937.0199       410.7461 181.9899       471.0706 129.4539 48.75899 84.96832 40.68713 44.48554       63.50498 
1 1 1 -6  9   30 o 77.17445 31.53855 204.3664       184.4216 467.4530       253.0903 -93.46703      269.2854 101.1412 38.23453 62.43856 30.11944 38.70264       48.67299 
1 1 1 -6  10  1  o 147.6823 10.99631 528.5125       77.08247 0.000000       0.000000 528.5125       77.08247 ?        ?        147.6823 10.99631 0.000000       10.99631 
1 1 1 -6  10  2  o 131.1191 10.51220 416.7154       65.34571 0.000000       0.000000 416.7154       65.34571 ?        ?        131.1191 10.51220 0.000000       10.51220 
1 1 1 -6  10  3  o 386.6877 9.205110 3595.754       170.1758 0.000000       0.000000 3595.754       170.1758 ?        ?        386.6877 9.205110 0.000000       9.205110 
1 1 1 -6  10  4  o 198.3788 9.094222 948.2878       86.02258 0.000000       0.000000 948.2878       86.02258 ?        ?        198.3788 9.094222 0.000000       9.094222 
1 1 1 -6  10  5  o 257.6170 8.507384 1596.611       104.6364 0.000000       0.000000 1596.611       104.6364 ?        ?        257.6170 8.507384 0.000000       8.507384 
1 1 1 -6  10  6  o 151.0504 9.959329 551.7994       71.52046 0.000000       0.000000 551.7994       71.52046 ?        ?        151.0504 9.959329 0.000000       9.959329 
1 1 1 -6  10  7  o 282.3401 12.99678 1934.214       174.9645 0.000000       0.000000 1934.214       174.9645 ?        ?        282.3401 12.99678 0.000000       12.99678 
1 1 1 -6  10  8  o 173.3887 8.271388 724.1462       68.36807 748.1963       127.7732 714.4984       80.92760 174.6334 15.46363 171.9476 9.886137 2.685776       18.35373 
1 1 1 -6  10  9  o 225.9328 11.21735 1235.564       120.7864 1462.765       150.1235 818.4970       203.3975 245.4180 12.83946 179.4052 24.34117 66.01283       27.51989 
1 1 1 -6  10  10 o 69.24162 26.04314 95.16762       117.0882 178.8925       136.3945 -139.3807      228.2895 85.17455 28.49099 66.69554 30.76535 18.47900       41.93142 
1 1 1 -6  10  11 o 77.47156 28.69377 128.4338       141.0517 93.06582       154.4674 305.9216       346.0317 74.39413 29.38931 114.5151 44.35028 -40.12099      53.20412 
1 1 1 -6  10  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  10  13 o 212.3321 13.90819 1102.040       140.4097 1203.577       181.9623 952.6017       220.7502 220.5988 17.39384 192.9146 24.48552 27.68422       30.03475 
1 1 1 -6  10  14 o 178.9242 16.20113 791.5165       137.0867 840.0184       190.8283 739.7942       197.0616 181.7108 22.44259 169.1036 25.13829 12.60715       33.69872 
1 1 1 -6  10  15 o 187.1850 22.63344 894.2747       198.4408 1054.987       280.6714 733.6400       280.6038 198.7296 30.51498 161.0124 37.20031 37.71716       48.11473 
1 1 1 -6  10  16 o 61.59512 26.14712 21.66186       133.9711 324.1808       226.1395 -141.9282      166.2947 108.8996 36.68834 54.20308 25.42051 54.69657       44.63448 
1 1 1 -6  10  17 o 96.64117 20.71863 242.4854       92.85133 256.5219       110.0667 207.8439       172.9120 98.56344 23.65869 90.76986 32.01564 7.793579       39.80873 
1 1 1 -6  10  18 o 347.3772 14.81099 2965.530       245.4121 2552.146       314.9049 3604.927       391.6413 317.9866 20.82857 377.1783 21.81172 -59.19162      30.15925 
1 1 1 -6  10  19 o 122.8596 27.01131 406.8369       154.3283 361.9443       209.6407 459.9471       228.0224 113.0500 35.11054 126.3229 36.00798 -13.27283      50.29239 
1 1 1 -6  10  20 o 130.7838 28.20654 468.3743       171.1739 314.9238       247.2556 609.6088       237.2096 106.0985 38.19091 145.3978 34.62333 -39.29924      51.54920 
1 1 1 -6  10  21 o 207.2373 18.64779 1091.378       182.7843 1308.991       275.7866 920.9031       244.0968 220.6196 26.68878 183.0192 28.85142 37.60046       39.30261 
1 1 1 -6  10  22 o 265.0824 15.62284 1756.891       197.1148 1631.732       234.9966 2053.971       362.0496 252.2582 19.64000 273.9935 28.03356 -21.73534      34.22879 
1 1 1 -6  10  23 o 63.40929 27.42157 24.33873       152.4785 102.1984       170.1309 -293.5320      343.7574 74.15218 30.29634 71.13830 34.24394 3.013885       45.72215 
1 1 1 -6  10  24 o 183.9562 24.67844 922.0026       211.5702 966.8021       253.3842 818.8574       384.4747 183.4560 29.91968 146.5744 47.78509 36.88156       56.37909 
1 1 1 -6  10  25 o 115.9384 41.12646 491.9898       285.6601 345.5335       396.7835 649.5820       411.5921 101.3784 44.03624 122.3441 48.08359 -20.96563      65.20140 
1 1 1 -6  10  26 o 243.7517 22.29517 1636.181       256.9425 1676.465       317.4200 1559.618       437.6031 237.2585 28.55712 197.2681 47.06004 39.99043       55.04686 
1 1 1 -6  10  27 o 64.53560 29.77092 -17.35855      213.8187 -336.9066      422.0428 92.98174       248.0022 70.21548 34.66737 74.84749 33.54441 -4.632011      48.23955 
1 1 1 -6  10  28 o 134.6603 30.84815 603.2910       194.3249 750.5592       282.3707 470.7908       267.8386 133.7155 40.60642 103.7983 39.31153 29.91721       56.51794 
1 1 1 -6  10  29 o 61.18839 29.35392 -70.61293      247.6946 -443.7546      470.7280 72.26231       291.2806 65.24072 32.86109 70.54642 33.25881 -5.305702      46.75467 
1 1 1 -6  11  1  o 171.6648 9.374797 711.2985       76.64786 0.000000       0.000000 711.2985       76.64786 ?        ?        171.6648 9.374797 0.000000       9.374797 
1 1 1 -6  11  2  o 273.8784 9.082485 1806.592       118.7599 0.000000       0.000000 1806.592       118.7599 ?        ?        273.8784 9.082485 0.000000       9.082485 
1 1 1 -6  11  3  o 350.1981 13.63628 2979.263       227.8701 0.000000       0.000000 2979.263       227.8701 ?        ?        350.1981 13.63628 0.000000       13.63628 
1 1 1 -6  11  4  o 201.2982 10.88954 980.7108       104.4090 0.000000       0.000000 980.7108       104.4090 ?        ?        201.2982 10.88954 0.000000       10.88954 
1 1 1 -6  11  5  o 381.5993 14.58080 3547.124       265.5202 0.000000       0.000000 3547.124       265.5202 ?        ?        381.5993 14.58080 0.000000       14.58080 
1 1 1 -6  11  6  o 304.7625 12.67688 2254.347       184.3033 0.000000       0.000000 2254.347       184.3033 ?        ?        304.7625 12.67688 0.000000       12.67688 
1 1 1 -6  11  7  o 140.1196 11.80938 478.2776       78.37485 0.000000       0.000000 478.2776       78.37485 ?        ?        140.1196 11.80938 0.000000       11.80938 
1 1 1 -6  11  8  o 180.1323 10.00231 784.9469       85.80089 0.000000       0.000000 784.9469       85.80089 ?        ?        180.1323 10.00231 0.000000       10.00231 
1 1 1 -6  11  9  o 229.1405 8.174273 1264.429       89.40524 1367.338       167.5362 1223.453       105.7166 236.3131 14.90495 225.0165 9.850856 11.29663       17.86608 
1 1 1 -6  11  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  11  11 o 59.42787 22.26544 69.92522       85.40639 50.62899       88.46025 335.0125       327.8735 56.56641 22.27323 114.7405 43.48579 -58.17406      48.85807 
1 1 1 -6  11  12 o 257.1686 14.22925 1619.655       174.2658 1597.050       194.9502 1709.543       388.7534 254.5128 16.10417 251.7329 33.10317 2.779938       36.81256 
1 1 1 -6  11  13 o 145.8226 20.76034 541.5376       140.6497 696.7043       175.1449 259.7556       236.0233 164.7246 22.85467 101.4572 37.19682 63.26743       43.65706 
1 1 1 -6  11  14 o 126.7270 21.95083 414.8087       128.1777 449.8254       179.3414 378.2437       183.2635 128.5541 29.76718 116.9980 31.89497 11.55608       43.62767 
1 1 1 -6  11  15 o 301.9040 14.45881 2237.280       208.0874 2120.760       272.1747 2401.205       322.8259 290.6923 19.70058 307.5322 22.10427 -16.83987      29.60932 
1 1 1 -6  11  16 o 170.0199 19.52145 731.0143       155.8039 510.1119       247.4756 876.0638       200.5350 132.7233 37.40489 184.2973 23.27782 -51.57396      44.05658 
1 1 1 -6  11  17 o 234.6486 17.50984 1374.947       195.0141 1836.987       249.6729 652.0133       312.3060 270.0757 19.46710 146.0678 42.29935 124.0079       46.56397 
1 1 1 -6  11  18 o 111.6816 29.73280 347.6896       161.5581 320.4459       310.1534 357.8344       189.2624 108.4923 41.99619 112.0218 33.06641 -3.529526      53.45154 
1 1 1 -6  11  19 o 140.9613 17.74484 505.4968       116.9420 508.3411       134.6931 496.7885       235.6771 139.8641 20.77335 128.3943 36.61031 11.46982       42.09331 
1 1 1 -6  11  20 o 66.94617 25.32453 98.19753       111.0745 96.34305       115.8715 119.2135       390.0686 67.25767 25.76410 95.40193 42.45861 -28.14426      49.66410 
1 1 1 -6  11  21 o 153.0426 19.93810 609.0482       142.4180 583.9313       151.6912 795.8390       413.6721 148.5406 22.02659 145.2722 49.61415 3.268372       54.28383 
1 1 1 -6  11  22 o 75.92088 25.65124 153.5231       110.5444 153.2192       129.4880 154.3398       212.2756 76.86407 27.64149 83.14067 33.88955 -6.276596      43.73275 
1 1 1 -6  11  23 o 82.86262 28.00441 194.8316       131.7569 134.1797       165.5573 299.6055       217.5970 75.84605 30.27562 97.79201 35.73740 -21.94595      46.83775 
1 1 1 -6  11  24 o 70.81159 29.80503 96.71196       171.6629 50.43290       287.9633 122.2244       213.8063 77.35307 35.25780 76.81824 32.83365 0.5348282      48.17843 
1 1 1 -6  11  25 o 64.72968 28.81705 32.70130       179.8294 231.3188       301.6597 -76.79431      223.9788 87.59772 38.21843 62.61701 29.40937 24.98071       48.22405 
1 1 1 -6  11  26 o 89.71833 30.56906 266.1521       157.0235 335.5923       196.6771 144.0786       260.7708 96.84641 34.14617 78.09959 34.73948 18.74683       48.71132 
1 1 1 -6  11  27 o 80.37137 33.31279 226.3746       209.6037 -156.1315      339.4256 462.1470       266.4844 66.08375 32.31457 100.8294 38.95518 -34.74564      50.61361 
1 1 1 -6  11  28 o 65.44978 28.55449 103.8535       168.3800 165.2332       213.6510 3.232942       273.5495 72.55286 31.89478 65.71437 31.34057 6.838493       44.71587 
1 1 1 -6  12  1  o 90.57600 13.18862 203.1412       55.43508 0.000000       0.000000 203.1412       55.43508 ?        ?        90.57600 13.18862 0.000000       13.18862 
1 1 1 -6  12  2  o 290.2631 8.663641 2029.615       120.0921 0.000000       0.000000 2029.615       120.0921 ?        ?        290.2631 8.663641 0.000000       8.663641 
1 1 1 -6  12  3  o 142.6261 11.30013 495.0068       76.42394 0.000000       0.000000 495.0068       76.42394 ?        ?        142.6261 11.30013 0.000000       11.30013 
1 1 1 -6  12  4  o 89.66242 13.26812 199.3595       55.16116 0.000000       0.000000 199.3595       55.16116 ?        ?        89.66242 13.26812 0.000000       13.26812 
1 1 1 -6  12  5  o 26.37165 12.33621 -37.63277      38.74143 0.000000       0.000000 -37.63277      38.74143 ?        ?        26.37165 12.33621 0.000000       12.33621 
1 1 1 -6  12  6  o 270.1940 9.384692 1762.488       121.0443 0.000000       0.000000 1762.488       121.0443 ?        ?        270.1940 9.384692 0.000000       9.384692 
1 1 1 -6  12  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  12  8  o 142.2504 13.02581 496.2582       87.60404 0.000000       0.000000 496.2582       87.60404 ?        ?        142.2504 13.02581 0.000000       13.02581 
1 1 1 -6  12  9  o 90.00639 16.69601 205.3398       69.20000 0.000000       0.000000 205.3398       69.20000 ?        ?        90.00639 16.69601 0.000000       16.69601 
1 1 1 -6  12  10 o 80.30862 15.86499 163.6498       58.75164 309.9018       137.1280 130.7670       65.02180 107.6219 26.76353 71.27827 18.81005 36.34364       32.71245 
1 1 1 -6  12  11 o 253.2165 10.09221 1553.019       121.9314 1626.770       203.4034 1511.651       152.3367 256.3099 16.68987 248.8084 12.85006 7.501541       21.06361 
1 1 1 -6  12  12 o 82.45069 22.05139 177.6941       88.61200 98.92158       96.19439 619.0984       227.7092 66.27824 23.82566 149.5760 32.75231 -83.29771      40.50156 
1 1 1 -6  12  13 o 196.0284 16.31330 953.8084       151.5021 991.6829       163.6953 727.6132       400.0412 199.4361 17.34037 150.8216 48.71030 48.61447       51.70476 
1 1 1 -6  12  14 o 114.4860 20.92775 339.2335       110.3271 346.1766       115.9107 272.3312       359.8045 115.3225 21.82234 108.3655 44.14022 6.957001       49.23996 
1 1 1 -6  12  15 o 118.5492 24.35649 373.7650       133.4247 309.6400       183.9037 445.0308       193.8730 105.1790 32.91874 125.5804 32.15564 -20.40135      46.01770 
1 1 1 -6  12  16 o 231.7447 15.78303 1337.973       173.8237 1304.942       204.2971 1424.588       330.8227 226.8085 19.01548 226.5127 31.39153 0.2958221      36.70173 
1 1 1 -6  12  17 o 239.9272 15.17137 1432.966       173.1342 1350.871       232.2033 1535.745       259.8141 228.4303 21.51550 242.6713 22.65606 -14.24095      31.24442 
1 1 1 -6  12  18 o 147.7661 20.14000 566.9777       138.5802 488.9373       152.9698 924.2167       327.2845 134.4514 24.70775 170.9637 40.64164 -36.51227      47.56276 
1 1 1 -6  12  19 o 98.62280 36.68849 280.7454       231.0719 136.4178       326.7863 425.0707       326.7837 91.01619 39.74279 114.0871 43.37262 -23.07089      58.82749 
1 1 1 -6  12  20 o 76.46558 32.01018 101.8098       196.3420 288.8990       342.6339 10.33836       239.5790 101.4029 42.35598 73.72100 33.00994 27.68192       53.69996 
1 1 1 -6  12  21 o 151.3974 25.32037 638.6586       176.8053 576.0859       233.5057 722.7352       270.6717 133.9518 35.78333 148.1885 38.02062 -14.23672      52.21125 
1 1 1 -6  12  22 o 298.2622 16.89436 2296.278       239.9214 2073.141       279.5953 2919.447       467.2473 277.5249 21.23392 308.6251 32.13720 -31.10022      38.51855 
1 1 1 -6  12  23 o 72.07586 27.07784 141.6554       126.4977 132.6634       132.7613 230.2607       416.7483 71.09875 27.48849 90.70525 41.74189 -19.60649      49.98003 
1 1 1 -6  12  24 o 85.73022 33.40644 241.2001       197.2619 229.8125       230.0665 272.8099       383.3084 84.73930 34.99117 89.91946 40.86575 -5.180161      53.79955 
1 1 1 -6  12  25 o 57.16534 27.10995 -85.44025      198.9636 -18.19447      232.0681 -271.9988      386.5366 64.40637 30.14910 66.86122 33.04192 -2.454849      44.72960 
1 1 1 -6  12  26 o 166.0810 22.53200 814.6370       174.2972 807.8477       192.5898 845.3693       409.7511 160.6938 25.95243 111.2632 46.38499 49.43056       53.15164 
1 1 1 -6  13  1  o 338.6998 10.75882 2778.326       173.9950 0.000000       0.000000 2778.326       173.9950 ?        ?        338.6998 10.75882 0.000000       10.75882 
1 1 1 -6  13  2  o 203.5827 14.80694 1018.739       143.1316 0.000000       0.000000 1018.739       143.1316 ?        ?        203.5827 14.80694 0.000000       14.80694 
1 1 1 -6  13  3  o 173.3867 10.13570 728.9560       83.65269 0.000000       0.000000 728.9560       83.65269 ?        ?        173.3867 10.13570 0.000000       10.13570 
1 1 1 -6  13  4  o 256.3193 9.571776 1588.301       117.0897 0.000000       0.000000 1588.301       117.0897 ?        ?        256.3193 9.571776 0.000000       9.571776 
1 1 1 -6  13  5  o 66.90982 17.53981 114.6384       56.78107 0.000000       0.000000 114.6384       56.78107 ?        ?        66.90982 17.53981 0.000000       17.53981 
1 1 1 -6  13  6  o 206.2128 10.21359 1030.747       100.3804 0.000000       0.000000 1030.747       100.3804 ?        ?        206.2128 10.21359 0.000000       10.21359 
1 1 1 -6  13  7  o 198.1978 9.746764 951.2991       92.07326 0.000000       0.000000 951.2991       92.07326 ?        ?        198.1978 9.746764 0.000000       9.746764 
1 1 1 -6  13  8  o 235.4834 10.17270 1343.753       114.2561 0.000000       0.000000 1343.753       114.2561 ?        ?        235.4834 10.17270 0.000000       10.17270 
1 1 1 -6  13  9  o 45.93691 18.36181 28.68066       60.98050 0.000000       0.000000 28.68066       60.98050 ?        ?        45.93691 18.36181 0.000000       18.36181 
1 1 1 -6  13  10 o 117.3249 14.39699 342.0568       79.06439 0.000000       0.000000 342.0568       79.06439 ?        ?        117.3249 14.39699 0.000000       14.39699 
1 1 1 -6  13  11 o 295.9854 11.36021 2132.436       160.4567 2160.218       262.3611 2115.835       202.8076 293.4017 18.80271 293.1770 14.51438 0.2247314      23.75308 
1 1 1 -6  13  12 o 99.41956 12.14501 244.4978       56.52990 146.7117       104.7881 284.6380       67.13718 75.75990 24.96102 107.0063 13.41756 -31.24640      28.33873 
1 1 1 -6  13  13 o 104.6416 11.84178 270.5304       58.20208 82.96931       109.5437 344.3036       68.70135 64.70694 24.98225 118.0433 12.35635 -53.33640      27.87099 
1 1 1 -6  13  14 o 180.6808 18.10814 828.5524       154.3148 777.5706       186.6947 938.5008       274.1693 171.8014 23.33232 181.4225 32.81734 -9.621094      40.26630 
1 1 1 -6  13  15 o 244.9829 16.36939 1506.356       190.6240 1588.079       215.5483 1213.018       408.3717 250.2265 18.14104 191.6356 45.29395 58.59091       48.79180 
1 1 1 -6  13  16 o 76.35911 24.25274 155.4231       99.47842 55.00027       114.8667 456.7146       198.9626 60.86712 24.88429 124.1045 32.97536 -63.23735      41.31105 
1 1 1 -6  13  17 o 205.2921 19.46777 1088.151       188.7886 1039.680       223.8613 1207.516       351.3006 196.6928 24.32354 196.9280 38.69395 -0.2351532     45.70401 
1 1 1 -6  13  18 f 133.3450 19.60229 466.5217       121.2392 364.5126       147.1111 682.4930       214.0543 112.8851 27.51302 153.3029 30.28016 -40.41788      40.91276 
1 1 1 -6  13  19 f 79.12896 27.56398 174.2970       127.9107 230.8483       137.9467 -172.4767      341.5961 88.76335 28.59821 73.06614 34.89518 15.69721       45.11686 
1 1 1 -6  13  20 o 186.5346 23.62390 967.5688       205.9603 1005.108       249.1810 886.6194       365.9147 183.5770 29.38197 146.2144 46.52298 37.36261       55.02443 
1 1 1 -6  13  21 o 205.1896 22.94850 1175.981       221.2710 1504.709       324.6336 890.7449       302.3974 218.6280 32.00633 155.2541 40.36909 63.37387       51.51765 
1 1 1 -6  13  22 o 178.3046 28.55622 971.4068       235.2163 822.8093       382.7050 1061.617       298.1849 128.9608 47.35127 174.1329 36.96218 -45.17215      60.06951 
1 1 1 -6  13  23 f 255.2985 22.35593 1860.311       270.1152 2168.591       414.2211 1632.228       356.2915 246.6940 36.19696 214.2161 36.06933 32.47791       51.10007 
1 1 1 -6  13  24 o 97.13374 40.07342 476.9750       301.3904 764.4556       411.1366 143.0287       443.1189 107.1705 45.66037 78.37798 38.00724 28.79249       59.40892 
1 1 1 -6  14  1  o 181.3362 10.19198 798.1475       88.00353 0.000000       0.000000 798.1475       88.00353 ?        ?        181.3362 10.19198 0.000000       10.19198 
1 1 1 -6  14  2  o 298.7173 9.037723 2155.900       128.9223 0.000000       0.000000 2155.900       128.9223 ?        ?        298.7173 9.037723 0.000000       9.037723 
1 1 1 -6  14  3  o 100.4507 14.07422 251.4479       65.73839 0.000000       0.000000 251.4479       65.73839 ?        ?        100.4507 14.07422 0.000000       14.07422 
1 1 1 -6  14  4  o 183.8525 11.19343 823.5760       97.92150 0.000000       0.000000 823.5760       97.92150 ?        ?        183.8525 11.19343 0.000000       11.19343 
1 1 1 -6  14  5  o 122.9817 12.20420 371.8823       70.81039 0.000000       0.000000 371.8823       70.81039 ?        ?        122.9817 12.20420 0.000000       12.20420 
1 1 1 -6  14  6  o 266.2612 9.577856 1717.759       121.7240 0.000000       0.000000 1717.759       121.7240 ?        ?        266.2612 9.577856 0.000000       9.577856 
1 1 1 -6  14  7  o 172.9113 10.82886 729.2551       89.06935 0.000000       0.000000 729.2551       89.06935 ?        ?        172.9113 10.82886 0.000000       10.82886 
1 1 1 -6  14  8  o 137.6066 12.27160 466.1398       79.88638 0.000000       0.000000 466.1398       79.88638 ?        ?        137.6066 12.27160 0.000000       12.27160 
1 1 1 -6  14  9  o 45.76086 16.24836 46.10609       44.59836 0.000000       0.000000 46.10609       44.59836 ?        ?        45.76086 16.24836 0.000000       16.24836 
1 1 1 -6  14  10 o 97.74149 14.14924 240.0045       64.19705 0.000000       0.000000 240.0045       64.19705 ?        ?        97.74149 14.14924 0.000000       14.14924 
1 1 1 -6  14  11 o 104.3592 16.82291 278.4672       81.08123 0.000000       0.000000 278.4672       81.08123 ?        ?        104.3592 16.82291 0.000000       16.82291 
1 1 1 -6  14  12 o 129.3269 14.05453 417.9901       85.50290 0.000000       0.000000 417.9901       85.50290 ?        ?        129.3269 14.05453 0.000000       14.05453 
1 1 1 -6  14  13 o 239.3301 10.51414 1399.428       120.0103 1373.006       199.6979 1414.365       150.1480 232.1971 18.13274 239.1413 13.18379 -6.944214      22.41894 
1 1 1 -6  14  14 o 130.0177 13.10387 421.2006       80.34361 320.8861       179.4465 446.3516       89.85284 104.0478 32.51034 133.3685 14.31572 -29.32075      35.52270 
1 1 1 -6  14  15 o 96.77061 31.84307 276.8886       170.5563 282.7106       183.0621 238.5918       469.5078 97.41319 33.00900 101.9328 45.87996 -4.519600      56.52048 
1 1 1 -6  14  16 o 137.3156 18.58080 493.6896       118.8540 503.3320       138.2551 466.3831       232.6606 136.4504 21.93665 118.6553 37.00965 17.79509       43.02244 
1 1 1 -6  14  17 o 60.92657 27.57698 -18.01499      172.4067 -188.9901      196.1507 562.7272       361.5056 54.03302 25.97336 116.8525 45.31035 -62.81945      52.22685 
1 1 1 -6  14  18 o 47.85664 21.56953 -22.33806      104.1736 23.17560       119.3014 -168.4382      213.7470 55.71057 24.17332 57.04571 27.34055 -1.335144      36.49459 
1 1 1 -6  14  19 o 63.31356 25.13850 91.50424       113.5475 -36.67149      133.3306 429.8689       216.6304 52.04068 23.82306 109.6916 35.87588 -57.65091      43.06526 
1 1 1 -6  14  20 o 68.34042 30.20804 69.71852       194.1346 223.0235       228.3051 -330.5452      368.9016 83.64170 34.72641 65.88990 32.50912 17.75180       47.56854 
1 1 1 -6  14  21 o 116.2793 30.61352 456.9105       172.4897 343.4780       251.5454 557.5873       236.9802 91.82595 37.08787 118.1221 37.42260 -26.29618      52.68739 
1 1 1 -6  14  22 o 149.1090 28.90701 732.8043       198.6300 624.6687       265.6548 869.9046       299.1249 116.5438 39.76006 137.6801 41.79031 -21.13631      57.68268 
1 1 1 -6  15  1  o 89.60106 18.24367 208.1583       75.49174 0.000000       0.000000 208.1583       75.49174 ?        ?        89.60106 18.24367 0.000000       18.24367 
1 1 1 -6  15  2  o 170.9046 10.70253 713.3515       87.00874 0.000000       0.000000 713.3515       87.00874 ?        ?        170.9046 10.70253 0.000000       10.70253 
1 1 1 -6  15  3  o 198.4263 10.29810 959.5009       97.35902 0.000000       0.000000 959.5009       97.35902 ?        ?        198.4263 10.29810 0.000000       10.29810 
1 1 1 -6  15  4  o 55.05057 16.94995 76.29650       48.98163 0.000000       0.000000 76.29650       48.98163 ?        ?        55.05057 16.94995 0.000000       16.94995 
1 1 1 -6  15  5  o 61.01208 16.71349 96.12981       50.18177 0.000000       0.000000 96.12981       50.18177 ?        ?        61.01208 16.71349 0.000000       16.71349 
1 1 1 -6  15  6  o 168.1006 11.84830 694.6678       94.61124 0.000000       0.000000 694.6678       94.61124 ?        ?        168.1006 11.84830 0.000000       11.84830 
1 1 1 -6  15  7  o 79.42956 17.53966 164.3816       64.82358 0.000000       0.000000 164.3816       64.82358 ?        ?        79.42956 17.53966 0.000000       17.53966 
1 1 1 -6  15  8  o 78.39737 17.47907 160.3362       63.84145 0.000000       0.000000 160.3362       63.84145 ?        ?        78.39737 17.47907 0.000000       17.47907 
1 1 1 -6  15  9  o 119.5974 13.29576 356.9380       74.73930 0.000000       0.000000 356.9380       74.73930 ?        ?        119.5974 13.29576 0.000000       13.29576 
1 1 1 -6  15  10 o 197.0506 10.77385 951.7499       101.1117 0.000000       0.000000 951.7499       101.1117 ?        ?        197.0506 10.77385 0.000000       10.77385 
1 1 1 -6  15  11 o 161.0318 12.90554 645.0425       98.52533 0.000000       0.000000 645.0425       98.52533 ?        ?        161.0318 12.90554 0.000000       12.90554 
1 1 1 -6  15  12 o 90.33772 19.64576 218.9152       82.42656 0.000000       0.000000 218.9152       82.42656 ?        ?        90.33772 19.64576 0.000000       19.64576 
1 1 1 -6  15  13 o 165.0127 12.56799 679.9605       98.40388 0.000000       0.000000 679.9605       98.40388 ?        ?        165.0127 12.56799 0.000000       12.56799 
1 1 1 -6  15  14 o 224.1785 10.72940 1241.468       114.6609 1270.474       187.0082 1223.995       145.1441 220.6109 17.88389 220.2417 13.85472 0.3692780      22.62271 
1 1 1 -6  15  15 o 129.1462 14.08382 425.8906       85.55071 347.6647       192.3831 445.1727       95.51430 101.8491 33.83154 131.1912 15.52919 -29.34212      37.22538 
1 1 1 -6  15  16 o 134.9021 12.21432 458.3330       77.92371 526.0515       137.3154 426.1668       94.63799 137.7867 21.55067 127.9066 15.81258 9.880089       26.72956 
1 1 1 -6  15  17 o 68.54848 29.57229 87.11435       176.4896 62.76132       197.7596 182.4080       391.1947 68.37741 30.34297 85.71078 39.79330 -17.33337      50.04201 
1 1 1 -6  15  18 o 128.2213 21.25724 465.4153       125.7477 413.5911       146.8478 607.8874       243.4816 115.0436 27.14099 124.9767 37.65436 -9.933006      46.41642 
1 1 1 -6  15  19 o 70.15679 28.96488 140.0428       157.6099 220.8622       218.1879 51.85387       227.9185 79.62589 33.56346 67.18349 30.89980 12.44240       45.62130 
1 1 1 -6  15  20 o 80.84518 32.95005 250.8766       200.6411 529.7114       234.0504 -522.0499      389.6772 109.7206 37.32221 59.00804 29.74414 50.71255       47.72485 
1 1 1 -6  16  1  o 129.7245 13.42970 420.7662       82.08755 0.000000       0.000000 420.7662       82.08755 ?        ?        129.7245 13.42970 0.000000       13.42970 
1 1 1 -6  16  2  o 87.81853 17.61984 201.8416       71.40191 0.000000       0.000000 201.8416       71.40191 ?        ?        87.81853 17.61984 0.000000       17.61984 
1 1 1 -6  16  3  o 124.7070 15.05112 393.9891       87.92346 0.000000       0.000000 393.9891       87.92346 ?        ?        124.7070 15.05112 0.000000       15.05112 
1 1 1 -6  16  4  o 63.85800 21.56073 104.0491       78.09901 0.000000       0.000000 104.0491       78.09901 ?        ?        63.85800 21.56073 0.000000       21.56073 
1 1 1 -6  16  5  o 143.2421 14.14228 516.4228       95.58749 0.000000       0.000000 516.4228       95.58749 ?        ?        143.2421 14.14228 0.000000       14.14228 
1 1 1 -6  16  6  f 69.73689 21.01555 130.8601       75.83749 0.000000       0.000000 130.8601       75.83749 ?        ?        69.73689 21.01555 0.000000       21.01555 
1 1 1 -6  16  7  o 269.8073 10.37869 1787.632       133.6269 0.000000       0.000000 1787.632       133.6269 ?        ?        269.8073 10.37869 0.000000       10.37869 
1 1 1 -6  16  8  o 213.7570 10.95428 1127.983       111.5736 0.000000       0.000000 1127.983       111.5736 ?        ?        213.7570 10.95428 0.000000       10.95428 
1 1 1 -6  16  9  o 38.89979 17.13538 -8.130795      61.95741 0.000000       0.000000 -8.130795      61.95741 ?        ?        38.89979 17.13538 0.000000       17.13538 
1 1 1 -6  16  10 o 226.7372 10.44258 1268.783       112.8941 0.000000       0.000000 1268.783       112.8941 ?        ?        226.7372 10.44258 0.000000       10.44258 
1 1 1 -6  16  11 o 123.7577 14.82405 393.8811       85.96661 0.000000       0.000000 393.8811       85.96661 ?        ?        123.7577 14.82405 0.000000       14.82405 
1 1 1 -6  16  12 o 40.18963 16.16642 24.25405       47.58295 0.000000       0.000000 24.25405       47.58295 ?        ?        40.18963 16.16642 0.000000       16.16642 
1 1 1 -6  16  13 o 131.3911 16.05563 451.7665       98.76325 0.000000       0.000000 451.7665       98.76325 ?        ?        131.3911 16.05563 0.000000       16.05563 
1 1 1 -6  16  14 o 91.24746 20.61666 235.3702       87.81189 0.000000       0.000000 235.3702       87.81189 ?        ?        91.24746 20.61666 0.000000       20.61666 
1 1 1 -6  16  15 o 102.8009 16.13062 282.6261       76.67187 0.000000       0.000000 282.6261       76.67187 ?        ?        102.8009 16.13062 0.000000       16.13062 
1 1 1 -6  16  16 o 235.6524 10.22895 1388.417       114.9676 1340.009       231.7034 1404.228       132.4180 213.5245 23.06293 235.2869 11.80950 -21.76247      25.91068 
1 1 1 -6  16  17 o 97.42194 15.47133 255.7117       69.65359 267.5451       211.6460 254.2744       73.76265 82.44535 33.75039 96.34369 16.61412 -13.89834      37.61805 
1 1 1 -6  17  1  o 68.32018 22.77070 126.7818       87.13608 0.000000       0.000000 126.7818       87.13608 ?        ?        68.32018 22.77070 0.000000       22.77070 
1 1 1 -6  17  2  o 134.3632 14.07757 459.3445       89.08988 0.000000       0.000000 459.3445       89.08988 ?        ?        134.3632 14.07757 0.000000       14.07757 
1 1 1 -6  17  3  o 201.5138 13.50036 1024.360       129.3141 0.000000       0.000000 1024.360       129.3141 ?        ?        201.5138 13.50036 0.000000       13.50036 
1 1 1 -6  17  4  o 57.47956 18.40431 86.76704       57.19373 0.000000       0.000000 86.76704       57.19373 ?        ?        57.47956 18.40431 0.000000       18.40431 
1 1 1 -6  17  5  o 93.02681 20.88876 240.3905       90.62291 0.000000       0.000000 240.3905       90.62291 ?        ?        93.02681 20.88876 0.000000       20.88876 
1 1 1 -6  17  6  o 96.53635 19.84514 255.9614       88.52881 0.000000       0.000000 255.9614       88.52881 ?        ?        96.53635 19.84514 0.000000       19.84514 
1 1 1 -6  17  7  o 32.88648 15.76395 -85.95280      71.11589 0.000000       0.000000 -85.95280      71.11589 ?        ?        32.88648 15.76395 0.000000       15.76395 
1 1 1 -6  17  8  o 69.92059 20.25081 137.0690       71.57660 0.000000       0.000000 137.0690       71.57660 ?        ?        69.92059 20.25081 0.000000       20.25081 
1 1 1 -6  17  9  f 128.6654 13.60593 425.3273       82.42841 0.000000       0.000000 425.3273       82.42841 ?        ?        128.6654 13.60593 0.000000       13.60593 
1 1 1 -6  17  10 o 138.6860 14.26172 498.8897       93.21494 0.000000       0.000000 498.8897       93.21494 ?        ?        138.6860 14.26172 0.000000       14.26172 
1 1 1 -6  17  11 o 59.53523 18.77088 98.22629       59.68822 0.000000       0.000000 98.22629       59.68822 ?        ?        59.53523 18.77088 0.000000       18.77088 
1 1 1 -6  17  12 o 121.0245 17.33640 399.5142       97.44790 0.000000       0.000000 399.5142       97.44790 ?        ?        121.0245 17.33640 0.000000       17.33640 
1 1 1 -6  17  13 o 145.5335 15.02376 561.2427       103.0314 0.000000       0.000000 561.2427       103.0314 ?        ?        145.5335 15.02376 0.000000       15.02376 
1 1 1 -6  18  1  o 42.56203 17.67551 23.51170       59.16962 0.000000       0.000000 23.51170       59.16962 ?        ?        42.56203 17.67551 0.000000       17.67551 
1 1 1 -6  18  2  o 43.72110 17.77518 30.98702       58.21709 0.000000       0.000000 30.98702       58.21709 ?        ?        43.72110 17.77518 0.000000       17.77518 
1 1 1 -6  18  3  o 172.6536 14.42733 775.3712       118.0008 0.000000       0.000000 775.3712       118.0008 ?        ?        172.6536 14.42733 0.000000       14.42733 
1 1 1 -6  18  4  o 76.11316 24.15578 176.8558       98.70097 0.000000       0.000000 176.8558       98.70097 ?        ?        76.11316 24.15578 0.000000       24.15578 
1 1 1 -5  -23 1  o 64.00968 18.89458 109.6359       61.79623 109.6359       61.79623 0.000000       0.000000 64.00968 18.89458 ?        ?        0.000000       18.89458 
1 1 1 -5  -23 2  o 100.0751 18.90510 268.2815       87.13694 268.2815       87.13694 0.000000       0.000000 100.0751 18.90510 ?        ?        0.000000       18.90510 
1 1 1 -5  -23 3  o 62.74875 24.37564 88.87865       104.7703 88.87865       104.7703 0.000000       0.000000 62.74875 24.37564 ?        ?        0.000000       24.37564 
1 1 1 -5  -23 4  o 44.35839 19.48666 -3.776414      79.62448 -3.776414      79.62448 0.000000       0.000000 44.35839 19.48666 ?        ?        0.000000       19.48666 
1 1 1 -5  -22 1  o 91.71278 22.09635 227.5302       95.73240 227.5302       95.73240 0.000000       0.000000 91.71278 22.09635 ?        ?        0.000000       22.09635 
1 1 1 -5  -22 2  o 179.2877 16.01523 811.8943       135.8312 811.8943       135.8312 0.000000       0.000000 179.2877 16.01523 ?        ?        0.000000       16.01523 
1 1 1 -5  -22 3  o 180.2074 14.22830 811.4578       121.5901 811.4578       121.5901 0.000000       0.000000 180.2074 14.22830 ?        ?        0.000000       14.22830 
1 1 1 -5  -22 4  o 37.46101 16.99300 -30.77699      65.89699 16.31599       86.22166 -96.91962      102.1831 49.48853 20.99072 41.56783 19.62793 7.920700       28.73788 
1 1 1 -5  -22 5  o 76.21516 22.39844 157.3096       87.00111 -73.67319      141.2731 298.4322       110.4251 52.30412 24.15360 104.6794 22.71836 -52.37528      33.15902 
1 1 1 -5  -22 6  o 60.44158 20.08650 92.88893       67.81409 107.6789       85.68076 68.08794       110.9518 65.16688 22.56753 61.41880 24.69312 3.748074       33.45211 
1 1 1 -5  -22 7  o 100.9730 14.48068 259.9284       67.90602 244.3262       108.8747 269.8622       86.87438 93.21809 24.21487 100.9609 18.68629 -7.742836      30.58656 
1 1 1 -5  -22 8  o 73.52641 19.96168 146.7619       71.95764 243.9065       183.0852 129.0144       78.25511 90.21150 32.80938 69.08543 21.45064 21.12607       39.19930 
1 1 1 -5  -22 9  o 47.36732 18.73021 39.30073       62.79435 -120.8202      123.9514 94.58377       72.83218 44.49633 21.18630 60.72569 20.81585 -16.22935      29.70116 
1 1 1 -5  -21 1  o 205.0576 14.24987 1036.754       138.8305 1036.754       138.8305 0.000000       0.000000 205.0576 14.24987 ?        ?        0.000000       14.24987 
1 1 1 -5  -21 2  f 37.31129 18.02520 -143.9423      97.32341 -143.9423      97.32341 0.000000       0.000000 37.31129 18.02520 ?        ?        0.000000       18.02520 
1 1 1 -5  -21 3  o 119.4644 12.58441 352.3144       70.79691 312.6353       93.18060 406.4988       108.8884 110.5414 18.26924 126.2253 18.60070 -15.68390      26.07204 
1 1 1 -5  -21 4  o 95.38567 18.88346 235.8752       83.06548 143.1306       138.9848 287.4119       103.6051 77.60182 28.52833 104.5167 21.45356 -26.91487      35.69482 
1 1 1 -5  -21 5  o 57.66911 17.71715 84.07099       53.55223 -4.433513      98.29858 121.4257       63.86126 50.12864 21.84464 68.27199 18.91441 -18.14335      28.89538 
1 1 1 -5  -21 6  o 114.7464 12.84203 327.0322       69.24310 98.11096       108.2228 485.6986       90.09868 66.71799 25.04973 139.7879 13.65552 -73.06990      28.53002 
1 1 1 -5  -21 7  f 220.3711 11.56133 1191.155       121.3805 1224.890       179.6778 1162.835       164.6243 220.1427 17.20855 215.1782 16.11964 4.964493       23.57917 
1 1 1 -5  -21 8  o 136.7376 12.52829 463.2201       80.99155 209.7509       126.6932 638.3933       105.3233 87.12414 27.33072 160.0843 13.89917 -72.96012      30.66195 
1 1 1 -5  -21 9  o 64.89475 19.50338 109.8819       65.38107 -44.74190      189.2997 130.8253       69.66835 63.41029 28.77881 70.31219 19.85692 -6.901901      34.96451 
1 1 1 -5  -21 10 o 91.80440 19.33958 223.2390       82.19846 26.35027       143.8884 318.6192       100.1485 61.97010 26.71777 109.9104 19.78642 -47.94035      33.24668 
1 1 1 -5  -21 11 o 121.1597 15.19746 373.3992       86.09979 419.2455       136.3648 343.0056       111.0302 123.4203 23.97466 112.8961 21.35289 10.52416       32.10499 
1 1 1 -5  -21 12 o 105.6254 19.27271 296.8839       93.73897 -61.79280      179.6778 431.0148       109.8771 59.43530 27.37222 128.2130 18.45634 -68.77771      33.01326 
1 1 1 -5  -21 13 o 93.21169 22.57446 242.4009       99.51995 250.0500       250.2314 240.9637       108.4674 91.58290 36.99046 92.02019 24.29973 -0.4372864     44.25800 
1 1 1 -5  -20 1  o 61.64188 22.14431 83.91508       83.08111 83.91508       83.08111 0.000000       0.000000 61.64188 22.14431 ?        ?        0.000000       22.14431 
1 1 1 -5  -20 2  o 87.68347 10.65756 188.7410       43.76060 163.7771       60.60080 215.9426       63.25840 80.22375 16.35562 92.86765 14.73954 -12.64391      22.01727 
1 1 1 -5  -20 3  f 144.8906 9.597624 509.2312       66.10855 428.4958       90.89403 599.9036       96.32542 131.5224 14.70677 156.4142 12.99856 -24.89178      19.62783 
1 1 1 -5  -20 4  o 38.75146 14.28922 29.43627       34.91235 78.50638       58.58624 2.415333       43.47477 56.99693 18.65788 35.08693 14.89466 21.91000       23.87399 
1 1 1 -5  -20 5  f 193.8298 11.72218 915.8728       108.1191 1162.536       195.5505 807.2703       129.7558 215.1261 19.21539 180.7414 15.15567 34.38475       24.47295 
1 1 1 -5  -20 6  o 372.5847 14.61792 3408.531       259.8815 3516.189       370.8681 3304.665       364.2766 373.3831 20.85865 361.6750 21.15951 11.70816       29.71209 
1 1 1 -5  -20 7  o 113.0570 14.19675 317.6330       75.04756 237.2612       103.6041 406.3617       108.8572 94.78546 23.08113 126.5624 18.54023 -31.77692      29.60538 
1 1 1 -5  -20 8  o 210.2494 11.58251 1078.227       115.9750 966.8757       181.0227 1155.751       151.0445 195.4320 19.64043 216.4082 14.68600 -20.97618      24.52397 
1 1 1 -5  -20 9  o 93.53424 20.38000 228.9567       88.55223 339.5688       116.4760 77.45600       136.3146 113.6361 22.23593 68.16431 27.38240 45.47175       35.27368 
1 1 1 -5  -20 10 o 111.5118 22.44704 329.6970       115.5246 137.8067       195.0166 433.4402       143.3920 82.03301 32.82078 127.2097 24.46570 -45.17670      40.93622 
1 1 1 -5  -20 11 o 54.59892 21.85464 46.63420       86.50980 47.01469       111.1110 46.04848       137.8566 59.36706 24.39525 63.87249 26.78596 -4.505428      36.23003 
1 1 1 -5  -20 12 o 76.87842 25.04479 156.5883       105.6230 -8.262433      145.4102 340.7223       153.6797 59.25732 26.17067 109.4750 28.93122 -50.21768      39.01178 
1 1 1 -5  -20 13 o 242.7427 13.75377 1462.568       158.9629 1423.235       262.8370 1485.252       199.6068 230.8527 24.17257 242.0046 17.36764 -11.15190      29.76488 
1 1 1 -5  -20 14 o 121.7404 21.09182 394.7328       118.3147 549.8052       161.2543 213.9048       174.1313 141.6526 24.70915 87.76546 31.98546 53.88715       40.41796 
1 1 1 -5  -20 15 o 144.1039 14.58616 525.0986       99.10824 335.7049       146.1742 686.2416       134.8322 107.1389 28.16958 163.0039 17.57932 -55.86499      33.20478 
1 1 1 -5  -20 16 o 42.69988 19.15174 -21.80823      81.01337 -167.3446      125.8804 81.09048       105.8467 42.12960 20.38851 62.05743 24.38563 -19.92782      31.78601 
1 1 1 -5  -19 1  o 110.4856 10.59738 297.2454       55.29190 273.8557       84.70985 314.6075       72.98313 104.3318 17.60892 113.0041 13.79449 -8.672203      22.36877 
1 1 1 -5  -19 2  o 109.6238 9.765632 291.8797       50.64631 239.1332       64.43272 377.1586       81.92763 98.22239 14.12690 123.7899 14.09392 -25.56750      19.95515 
1 1 1 -5  -19 3  o 134.6392 9.474538 438.8502       60.59772 425.7247       82.04305 454.6064       89.88971 131.8211 13.19531 136.0543 14.01991 -4.233170      19.25290 
1 1 1 -5  -19 4  o 25.94006 12.07512 -32.87525      36.39208 51.73951       97.11345 -46.69878      39.25237 58.68638 23.26527 25.44468 12.05936 33.24171       26.20498 
1 1 1 -5  -19 5  o 333.7971 13.53752 2713.538       215.5897 2689.817       307.2131 2736.555       302.6185 329.0222 19.61927 332.1819 19.13608 -3.159698      27.40630 
1 1 1 -5  -19 6  o 172.3029 10.87518 720.8266       89.12843 623.3085       151.8941 772.0345       110.0695 156.9551 20.75000 177.7524 13.04300 -20.79727      24.50882 
1 1 1 -5  -19 7  o 242.8400 9.777558 1425.989       113.2844 1636.714       201.5690 1328.700       136.9610 257.5658 16.45526 233.6119 12.30632 23.95389       20.54802 
1 1 1 -5  -19 8  o 202.5648 12.35887 1000.495       119.1185 814.2545       192.1122 1116.817       151.8273 178.3029 23.07737 213.0932 14.99875 -34.79039      27.52321 
1 1 1 -5  -19 9  o 302.7945 13.57189 2241.194       195.9709 1909.889       281.5416 2552.582       272.9476 274.8346 21.60054 320.6263 17.87701 -45.79169      28.03874 
1 1 1 -5  -19 10 o 64.38216 19.90194 104.1045       67.44874 31.88476       113.9720 143.0311       83.67456 58.82668 24.48908 74.50097 21.98502 -15.67429      32.90982 
1 1 1 -5  -19 11 o 86.67271 18.88358 193.8628       76.03046 415.8680       118.5984 38.96390       99.06528 127.5127 20.12082 56.66107 23.13045 70.85164       30.65721 
1 1 1 -5  -19 12 o 52.81707 20.75589 45.52304       76.68581 -238.9044      136.3447 177.1319       92.74593 41.84392 20.46553 82.01479 22.82137 -40.17087      30.65376 
1 1 1 -5  -19 13 o 47.17975 20.34593 0.7207748      83.47997 -87.36906      221.3729 15.32431       90.13440 66.74938 30.60882 50.88335 21.51651 15.86604       37.41470 
1 1 1 -5  -19 14 o 216.3434 12.95283 1153.119       133.3593 1453.627       206.3418 937.5492       174.7643 239.6849 18.14158 191.4972 19.35432 48.18776       26.52747 
1 1 1 -5  -19 15 o 170.3721 12.11426 714.9629       98.03059 784.4140       158.1689 671.6444       124.9160 174.7240 19.25360 163.2151 16.22299 11.50890       25.17710 
1 1 1 -5  -19 16 o 33.86963 16.63166 -174.3782      92.84333 -385.4630      203.6007 -118.9612      104.3211 48.41330 23.93535 40.57889 19.35328 7.834408       30.78068 
1 1 1 -5  -19 17 o 156.9756 14.92309 621.3176       110.6497 78.62501       228.1278 788.2662       126.5297 77.27901 33.48016 176.8412 15.11048 -99.56216      36.73211 
1 1 1 -5  -19 18 o 49.42800 19.47582 43.42822       67.67626 -182.5205      189.0447 76.64180       72.47985 53.74254 25.74539 57.02687 20.65726 -3.284325      33.00830 
1 1 1 -5  -18 1  o 201.7892 8.702465 981.0293       83.75805 1009.855       105.6374 932.2284       137.4491 204.2987 10.85439 195.2389 14.83649 9.059830       18.38312 
1 1 1 -5  -18 2  o 247.2324 7.341593 1468.720       86.68076 1583.054       116.4654 1326.742       129.7834 256.2378 9.523614 234.0421 11.63538 22.19569       15.03600 
1 1 1 -5  -18 3  o 242.7041 11.17740 1425.235       129.3477 1499.240       184.6363 1353.910       181.2610 247.5195 15.68332 234.9731 16.23514 12.54642       22.57314 
1 1 1 -5  -18 4  o 117.4887 10.60053 335.6106       58.90341 252.9541       87.67589 403.6105       79.52353 99.86404 19.05890 128.3986 13.13979 -28.53454      23.14942 
1 1 1 -5  -18 5  o 304.6814 8.232203 2232.944       119.8043 2161.129       178.0573 2292.350       161.9443 298.5264 12.50349 307.9579 11.01707 -9.431549      16.66473 
1 1 1 -5  -18 6  o 225.0616 10.87543 1225.228       116.6725 1325.763       168.5240 1132.684       161.6880 232.8494 15.22180 214.9481 15.84525 17.90134       21.97215 
1 1 1 -5  -18 7  o 205.0725 11.18632 1018.538       109.2585 1097.538       171.5198 964.5917       141.7355 211.0991 17.14234 198.5041 15.04693 12.59494       22.80942 
1 1 1 -5  -18 8  o 40.29903 17.08845 3.498893       57.11802 -35.80966      90.64861 29.38198       73.55727 45.22995 20.27475 49.66741 20.05731 -4.437458      28.51949 
1 1 1 -5  -18 9  o 102.4755 14.60525 260.5872       69.53179 316.1486       112.2801 226.0253       88.55552 110.9101 21.95228 93.84947 20.32606 17.06062       29.91741 
1 1 1 -5  -18 10 o 202.4174 10.30095 991.9548       99.35805 1263.299       172.1149 856.3342       121.6806 226.5800 15.99143 187.1070 13.69754 39.47302       21.05584 
1 1 1 -5  -18 11 o 248.8532 10.15282 1498.418       120.5384 1283.109       220.5869 1590.080       143.9272 225.9748 20.64575 255.8289 11.79929 -29.85419      23.77962 
1 1 1 -5  -18 12 o 47.63483 21.25160 -31.02169      98.33955 -143.6643      130.8603 115.1236       149.0558 46.29606 21.96425 75.94037 29.18799 -29.64431      36.52899 
1 1 1 -5  -18 13 o 196.5486 14.30423 949.4003       133.4934 914.4579       239.9790 965.0579       160.6418 186.1266 27.82089 196.9758 17.23171 -10.84926      32.72512 
1 1 1 -5  -18 14 o 123.0972 16.29122 379.3469       93.52459 335.4798       153.0412 405.4938       118.1540 111.1613 28.62495 125.8486 20.33055 -14.68726      35.11010 
1 1 1 -5  -18 15 o 156.9514 13.09404 605.8766       97.35900 736.7076       149.4458 509.4089       128.3274 170.8786 18.59254 141.3941 19.50249 29.48447       26.94494 
1 1 1 -5  -18 16 o 42.00876 17.72153 8.773416       60.90616 101.6733       199.8172 -0.7418440     63.94930 78.98602 32.61209 41.37460 17.82474 37.61142       37.16544 
1 1 1 -5  -18 17 o 59.89780 19.45067 89.76309       63.73526 -185.0130      127.6892 180.9376       73.55320 42.33021 20.49730 83.04374 18.94628 -40.71353      27.91238 
1 1 1 -5  -18 18 f 125.7270 18.81870 408.7875       109.6433 152.5954       198.8184 520.7532       131.4366 82.94837 33.15528 141.5360 19.97913 -58.58765      38.70967 
1 1 1 -5  -18 19 o 77.70626 25.00563 163.2625       105.4865 82.46597       198.0490 195.2619       124.6372 74.91374 31.79556 83.99368 27.19410 -9.079941      41.83870 
1 1 1 -5  -18 20 o 90.68344 20.43520 222.2928       86.46689 79.40108       340.0169 232.1725       89.40612 85.58503 38.73383 92.58771 20.71650 -7.002678      43.92587 
1 1 1 -5  -17 1  o 310.6610 8.167182 2319.109       121.1966 2395.521       138.5518 2070.131       250.0988 315.5223 9.194695 290.5234 18.09605 24.99887       20.29802 
1 1 1 -5  -17 2  o 145.0866 8.213408 507.1161       56.73899 537.6777       73.32744 461.5157       89.57001 149.0773 10.35268 137.3845 13.82469 11.69283       17.27137 
1 1 1 -5  -17 3  o 34.60899 13.38066 18.79460       31.45755 -4.938769      50.41552 33.92590       40.25527 36.53345 15.78332 41.75690 15.35295 -5.223446      22.01877 
1 1 1 -5  -17 4  o 109.4575 12.48064 293.1679       64.14610 314.8043       100.2069 278.1465       83.49519 111.7797 19.45752 105.5113 17.13980 6.268417       25.93006 
1 1 1 -5  -17 5  o 279.8894 12.08633 1895.889       161.3483 1883.949       230.2844 1907.402       226.1341 277.1676 17.46739 279.0668 17.03030 -1.899170      24.39551 
1 1 1 -5  -17 6  o 354.5952 13.95431 3053.833       236.1026 3069.928       335.8147 3038.101       332.0168 352.6253 20.00149 350.8575 19.87470 1.767761       28.19687 
1 1 1 -5  -17 7  o 264.2640 8.845862 1681.234       111.6025 1886.144       184.0388 1562.058       140.3534 278.5233 13.86459 254.0689 11.58530 24.45444       18.06782 
1 1 1 -5  -17 8  o 107.7389 11.64563 283.5688       59.03292 352.5329       103.1387 249.9687       71.99140 118.4695 18.84005 100.2094 15.52875 18.26009       24.41494 
1 1 1 -5  -17 9  o 178.7234 11.94418 775.5059       101.4720 714.2920       175.7208 806.1305       124.2892 168.2542 22.40091 181.6006 14.43421 -13.34644      26.64859 
1 1 1 -5  -17 10 o 288.0704 12.00293 2009.702       164.9459 2301.569       243.6870 1762.908       224.0818 306.5022 16.69294 267.7622 17.60208 38.73999       24.25876 
1 1 1 -5  -17 11 o 42.04900 16.38372 27.27495       47.44345 95.84476       173.8682 21.75863       49.31490 77.74754 31.02903 41.36170 16.51928 36.38583       35.15234 
1 1 1 -5  -17 12 o 133.6525 11.86773 435.4265       75.04452 462.9616       132.7531 422.4951       90.97523 135.1352 21.24852 130.9382 14.79141 4.197006       25.88987 
1 1 1 -5  -17 13 o 184.9065 12.22024 832.2844       107.4232 991.1742       205.4148 772.4730       126.0305 198.0693 22.06662 177.2925 15.00976 20.77686       26.68760 
1 1 1 -5  -17 14 o 231.2735 11.54234 1299.021       127.2194 1511.017       198.8286 1152.067       165.5415 247.3091 16.91819 216.1305 16.13722 31.17867       23.38023 
1 1 1 -5  -17 15 o 168.7173 13.44512 697.8776       107.5543 570.9354       207.2132 744.6895       125.8323 145.0655 30.82888 173.6895 15.30996 -28.62392      34.42114 
1 1 1 -5  -17 16 o 197.9231 12.16243 955.5713       114.5309 902.8716       178.6600 992.3374       149.2269 189.1511 20.06204 200.3929 15.70131 -11.24171      25.47581 
1 1 1 -5  -17 17 o 140.9253 14.73280 492.1996       97.79710 517.7124       149.5836 473.1526       129.2465 141.2171 22.94255 135.9430 20.52509 5.274185       30.78376 
1 1 1 -5  -17 18 o 151.6970 15.69707 574.7199       112.1996 662.2950       202.6396 536.0019       134.7382 156.1936 28.17274 144.5420 20.03602 11.65152       34.57087 
1 1 1 -5  -17 19 o 105.3358 18.21245 286.1629       88.40040 401.3187       319.3058 276.6039       91.99629 114.4532 43.01586 103.0505 19.38418 11.40274       47.18168 
1 1 1 -5  -17 20 o 71.17990 20.79270 133.6771       75.16957 310.9483       200.1269 104.5592       81.10850 102.9254 34.51255 64.74802 21.97152 38.17741       40.91288 
1 1 1 -5  -17 21 o 90.91866 26.26056 231.5651       120.5151 241.4131       223.2061 227.5129       143.1786 93.35604 35.75927 89.70573 29.15473 3.650307       46.13809 
1 1 1 -5  -17 22 o 91.91988 21.82080 231.5185       94.45071 807.9826       235.9696 121.5416       103.0672 165.3026 30.99695 69.00511 24.67929 96.29747       39.62169 
1 1 1 -5  -16 1  o 34.36401 12.88583 21.24089       28.61842 77.70084       50.38347 -5.651815      34.77243 56.35956 17.16017 29.97619 13.02841 26.38336       21.54556 
1 1 1 -5  -16 2  o 225.3077 8.218722 1220.061       88.38128 1225.265       129.3433 1215.503       121.0486 225.0905 12.06334 224.3435 11.32255 0.7470093      16.54462 
1 1 1 -5  -16 3  o 282.0710 9.665015 1915.027       130.1449 1856.504       156.6349 2045.508       233.8842 277.2457 11.84451 289.5078 16.97233 -12.26215      20.69667 
1 1 1 -5  -16 4  o 159.0747 9.517377 610.4148       72.05042 600.1149       108.3031 618.5927       96.50390 156.7612 14.61944 159.5724 12.75578 -2.811279      19.40201 
1 1 1 -5  -16 5  o 132.8310 9.934396 426.7198       62.63139 445.7032       92.66313 410.7530       84.98273 134.8886 14.60142 129.5742 13.93729 5.314377       20.18538 
1 1 1 -5  -16 6  o 377.6592 7.781417 3422.788       140.4970 3654.026       206.0105 3221.717       192.1033 389.2727 11.08075 365.5229 11.00542 23.74973       15.61738 
1 1 1 -5  -16 7  o 199.7552 10.90202 964.1198       103.7204 985.5339       157.5780 947.7499       137.7742 200.5860 16.57980 197.1840 14.72086 3.401962       22.17191 
1 1 1 -5  -16 8  o 199.1652 11.00520 958.8303       104.3826 944.2816       157.3887 970.2547       139.4690 196.1647 16.94809 199.4874 14.72744 -3.322678      22.45295 
1 1 1 -5  -16 9  o 196.2737 10.29307 930.2801       96.24873 998.6126       175.3188 900.8001       115.1539 201.2020 18.43036 192.6502 12.57128 8.551788       22.30954 
1 1 1 -5  -16 10 o 161.2318 11.12273 629.9857       85.21206 645.0031       138.7044 620.8820       107.9947 161.3228 18.30733 159.3451 14.32893 1.977692       23.24815 
1 1 1 -5  -16 11 o 193.9201 11.14918 910.3575       102.9294 947.6875       160.5446 884.3043       134.1213 196.1754 17.29450 190.1877 14.86861 5.987671       22.80735 
1 1 1 -5  -16 12 o 100.9526 14.46176 252.3463       67.80747 149.3868       174.4342 270.6739       73.59557 84.60318 31.79442 104.4469 15.18259 -19.84374      35.23345 
1 1 1 -5  -16 13 o 312.7492 12.57788 2370.822       187.6831 2715.791       275.8133 2073.340       256.1268 332.7112 17.40008 290.0662 18.56674 42.64505       25.44576 
1 1 1 -5  -16 14 o 96.28908 15.30168 231.0694       68.08677 254.4852       123.3991 220.8205       81.63857 98.72704 25.84573 93.18243 18.97099 5.544609       32.06088 
1 1 1 -5  -16 15 o 46.36209 17.96364 34.97988       56.78856 -58.44146      114.2590 65.62819       65.44411 49.19661 22.33999 55.13820 19.67170 -5.941586      29.76661 
1 1 1 -5  -16 16 o 61.80454 21.33409 88.28481       76.54597 -95.34730      101.7538 327.6755       116.1796 42.46752 19.90648 112.5728 22.37519 -70.10529      29.94857 
1 1 1 -5  -16 17 f 73.13541 25.12877 128.3665       106.1569 -125.8225      250.7562 183.8705       117.1751 70.37460 32.38331 84.36314 26.25700 -13.98854      41.69063 
1 1 1 -5  -16 18 o 116.9266 15.65017 341.2326       85.29154 353.8874       189.7453 338.0281       95.48157 113.1570 33.02952 115.6604 17.84044 -2.503426      37.53971 
1 1 1 -5  -16 19 o 83.40975 21.30491 181.8968       85.25199 52.03759       186.8185 216.0514       95.80946 73.44645 31.01312 90.68010 22.26578 -17.23365      38.17825 
1 1 1 -5  -16 20 o 87.67124 26.49300 206.2034       120.4028 119.0306       202.5475 253.8397       149.7289 81.41357 33.13445 96.22139 29.63652 -14.80782      44.45464 
1 1 1 -5  -16 21 o 175.1934 16.02881 770.0842       132.7681 1152.177       372.5251 714.4885       142.0992 191.8272 41.80352 167.6768 18.00784 24.15036       45.51721 
1 1 1 -5  -16 22 o 162.9577 20.48535 690.6126       156.0795 1150.333       395.6312 605.8752       169.8560 185.5405 45.05642 149.9622 24.53937 35.57829       51.30557 
1 1 1 -5  -16 23 o 109.4734 19.89425 316.8615       100.2884 412.7473       231.8031 294.7802       111.2381 113.9086 37.10160 103.9278 22.99724 9.980751       43.65091 
1 1 1 -5  -16 24 f 117.4555 28.21871 404.0161       156.4754 340.6929       392.0497 416.0147       170.6573 102.5712 44.16112 117.6613 30.19060 -15.09010      53.49464 
1 1 1 -5  -15 1  o 235.8295 11.00533 1340.511       123.7400 1219.849       175.6590 1459.365       174.3382 223.7611 16.53702 245.2537 14.93942 -21.49257      22.28585 
1 1 1 -5  -15 2  o 120.3770 10.00566 350.5622       57.06333 379.2068       80.77992 322.0310       80.61977 124.5959 13.79162 114.4355 15.10420 10.16045       20.45350 
1 1 1 -5  -15 3  o 114.5764 10.32577 318.1214       55.95589 380.6520       78.91099 254.8803       79.35806 124.8883 13.42687 101.1615 17.01153 23.72678       21.67194 
1 1 1 -5  -15 4  o 325.4051 13.08273 2559.182       203.1163 2567.071       288.3835 2551.416       286.1295 324.0758 18.69227 323.1176 18.60085 0.9582214      26.37030 
1 1 1 -5  -15 5  o 127.0350 10.14356 390.4463       61.09445 409.3828       88.90024 373.4992       84.10061 129.2861 14.64013 123.4412 14.52840 5.844902       20.62542 
1 1 1 -5  -15 6  o 181.8509 10.15958 797.6794       87.97712 735.1636       123.0230 863.1146       125.8625 173.6259 14.96645 188.4319 14.07283 -14.80595      20.54359 
1 1 1 -5  -15 7  o 245.4785 8.775135 1448.852       102.8197 1563.044       166.7254 1378.768       130.6149 253.9253 13.78539 238.9676 11.46606 14.95767       17.93063 
1 1 1 -5  -15 8  o 383.8907 14.19522 3570.215       260.0815 3967.684       371.7753 3189.260       363.9704 402.4528 19.37918 359.8322 21.25181 42.62054       28.76095 
1 1 1 -5  -15 9  o 91.40235 13.04104 205.7434       55.37321 74.64711       98.18145 266.8939       67.05544 63.17474 23.82911 104.1754 13.80290 -41.00071      27.53810 
1 1 1 -5  -15 10 o 226.4454 9.737762 1235.493       105.1755 1220.687       186.0063 1242.451       127.5181 223.1128 17.57986 226.6654 11.80806 -3.552612      21.17739 
1 1 1 -5  -15 11 o 134.5560 12.07110 440.3877       76.82875 234.3899       123.2451 571.3207       98.25684 95.31509 26.22548 153.0854 13.56548 -57.77032      29.52622 
1 1 1 -5  -15 12 o 42.79224 18.92485 -21.69723      76.28860 -173.6319      160.9669 22.31643       86.63671 51.81889 24.51826 51.97508 21.46824 -0.1561928     32.58881 
1 1 1 -5  -15 13 o 191.4460 11.34108 887.4952       103.3377 1015.120       159.0764 794.3187       135.9228 203.4013 16.50007 179.9286 15.96657 23.47270       22.96048 
1 1 1 -5  -15 14 o 51.33604 21.42840 16.97988       87.60735 100.4650       162.1404 -17.44240      104.1134 76.80008 30.18069 51.04975 22.35854 25.75033       37.56033 
1 1 1 -5  -15 15 o 107.4323 15.94796 287.0769       79.42995 403.4285       107.2870 145.9459       118.1604 127.1022 18.17233 78.14508 26.51934 48.95710       32.14824 
1 1 1 -5  -15 16 o 37.61463 17.89576 -107.7289      88.09060 -150.2945      154.5274 -87.23679      107.2184 51.71725 24.33316 44.83667 20.82210 6.880581       32.02596 
1 1 1 -5  -15 17 o 50.43512 18.64403 50.18268       59.49907 -148.2544      102.2080 151.9001       73.17642 38.73640 18.65314 76.98263 19.77811 -38.24623      27.18664 
1 1 1 -5  -15 18 o 60.32438 19.34622 88.75888       63.17907 81.79276       111.8179 92.02569       76.57338 65.98023 25.30069 62.64071 21.34702 3.339523       33.10317 
1 1 1 -5  -15 19 o 98.82312 27.37842 260.2069       133.8040 329.7792       309.4375 244.2067       148.3946 112.9401 42.36727 95.98048 29.49368 16.95965       51.62231 
1 1 1 -5  -15 20 o 252.9191 12.92505 1561.986       155.7685 1757.033       276.4253 1471.232       188.5568 263.0713 22.18496 243.9512 16.25987 19.12012       27.50556 
1 1 1 -5  -15 21 o 106.1806 19.54751 289.9375       95.57515 233.7012       225.4612 302.2570       105.5257 96.97469 36.20791 107.8541 21.22127 -10.87937      41.96851 
1 1 1 -5  -15 22 o 96.39510 26.19772 253.0756       123.8629 364.7234       236.8583 211.0513       145.3160 111.6836 37.54737 88.76925 29.40043 22.91439       47.68847 
1 1 1 -5  -15 23 o 116.1242 18.77316 348.7326       100.6697 285.5357       527.8958 351.1176       102.5517 110.9231 49.37821 116.3839 19.09211 -5.460838      52.94069 
1 1 1 -5  -15 24 o 69.05022 27.29536 95.70174       133.3168 1000.817       650.3078 55.99332       136.2098 145.0908 59.25027 64.35766 26.78008 80.73310       65.02129 
1 1 1 -5  -15 25 o 57.24576 22.06519 67.19951       85.35402 -328.5031      436.7415 82.91328       87.03227 77.11780 37.47414 60.37636 22.50541 16.74144       43.71276 
1 1 1 -5  -15 26 o 90.42815 22.59043 228.3810       97.37432 745.7943       422.8933 199.4127       100.0630 129.1283 49.28036 83.98712 23.82435 45.14114       54.73713 
1 1 1 -5  -14 1  f 172.4626 9.048043 715.2578       74.34234 807.6213       102.5173 612.8154       107.9660 182.9299 11.78477 158.8278 14.37389 24.10213       18.58735 
1 1 1 -5  -14 2  o 319.3886 8.941903 2448.361       136.4050 2591.536       161.1725 2086.916       256.0823 328.3910 10.27842 292.8958 18.38033 35.49518       21.05902 
1 1 1 -5  -14 3  o 158.2905 9.024180 602.9466       68.00922 621.8816       101.0565 587.2715       91.94675 160.1507 13.31901 155.7414 12.45243 4.409302       18.23346 
1 1 1 -5  -14 4  o 169.9492 8.962875 694.7888       72.56661 671.3395       108.4900 713.7738       97.61820 166.3321 13.76602 171.8476 11.95628 -5.515427      18.23337 
1 1 1 -5  -14 5  o 309.5406 9.229749 2301.530       136.4365 2425.217       163.8762 2022.126       246.3031 317.4740 10.81269 288.1514 17.96832 29.32260       20.97081 
1 1 1 -5  -14 6  o 230.1450 8.320732 1272.089       91.40208 1360.596       136.7959 1200.708       122.8499 237.4227 12.09135 223.0951 11.55739 14.32765       16.72645 
1 1 1 -5  -14 7  o 404.2091 9.999352 3925.877       193.2352 4091.272       224.4176 3451.666       379.9974 412.1633 11.39978 375.0537 21.27964 37.10953       24.14080 
1 1 1 -5  -14 8  o 194.8452 9.626948 914.2950       89.40047 843.1926       149.0317 954.2642       111.7375 185.6217 16.98144 198.7023 11.81553 -13.08061      20.68758 
1 1 1 -5  -14 9  o 174.8483 10.56026 738.0469       87.86487 795.0628       135.5397 696.7189       115.3961 180.4230 15.87498 169.1396 14.40745 11.28339       21.43804 
1 1 1 -5  -14 10 o 83.58734 13.08260 172.5983       50.56757 345.8574       96.49561 107.0051       59.37297 117.9960 17.64648 65.33620 18.28866 52.65976       25.41404 
1 1 1 -5  -14 11 o 101.6357 18.42242 259.2407       86.22087 150.1333       157.1149 306.2587       103.1388 83.48283 30.38881 110.2106 20.32304 -26.72780      36.55825 
1 1 1 -5  -14 12 o 100.8480 15.95307 252.7079       74.36075 215.2724       105.2254 290.0533       105.0987 91.59951 23.81117 106.8848 21.31508 -15.28527      31.95786 
1 1 1 -5  -14 13 o 187.2384 12.06997 849.3951       107.4706 982.4210       189.5492 786.3719       130.4679 199.1652 20.18517 179.3755 15.36135 19.78975       25.36557 
1 1 1 -5  -14 14 o 51.04483 19.19004 48.17134       63.55769 57.74976       80.60395 32.42604       103.3439 56.65649 21.54048 57.43177 23.55557 -0.7752838     31.91954 
1 1 1 -5  -14 15 o 100.0822 19.83733 254.3214       91.56258 272.0446       151.6751 244.1593       114.8509 102.1125 29.45044 97.09533 24.68975 5.017212       38.43061 
1 1 1 -5  -14 16 o 56.35841 20.50913 65.55566       71.55495 145.0894       92.53307 -52.74509      112.8535 76.04823 23.27526 49.53525 22.37668 26.51298       32.28705 
1 1 1 -5  -14 17 f 214.2507 12.06899 1113.203       123.1238 1174.651       190.8151 1069.369       161.1631 218.0582 18.47720 208.7570 16.27646 9.301147       24.62377 
1 1 1 -5  -14 18 o 159.4647 12.27174 618.7493       92.83851 525.6971       143.4565 685.8030       121.7779 144.2509 21.45350 167.1151 15.41573 -22.86418      26.41775 
1 1 1 -5  -14 19 o 81.83775 21.73306 172.6488       86.45340 230.1214       119.3256 109.1454       125.4299 93.83844 25.79952 72.53159 27.02129 21.30685       37.35994 
1 1 1 -5  -14 20 o 80.83771 21.23534 169.1716       83.11509 759.7093       344.1273 132.5893       85.65080 160.3960 43.69825 72.47268 22.43129 87.92333       49.11924 
1 1 1 -5  -14 21 o 221.3891 13.15931 1197.767       138.6545 1744.728       264.5240 990.5583       162.8134 263.0371 21.21469 199.6820 17.22280 63.35509       27.32559 
1 1 1 -5  -14 22 o 102.8849 24.11941 279.8824       116.5635 499.1806       218.4479 192.5868       137.8246 133.2766 34.13628 86.48267 28.63217 46.79397       44.55431 
1 1 1 -5  -14 23 f 44.47433 19.32636 -5.826697      76.48878 121.6470       362.3466 -11.77187      78.25211 97.08618 42.12749 44.16895 19.36328 52.91723       46.36445 
1 1 1 -5  -14 24 o 110.8688 24.35261 331.8441       125.5441 802.6715       402.9422 281.2247       132.1205 151.3665 48.88663 100.9147 26.89768 50.45180       55.79774 
1 1 1 -5  -14 25 o 110.1133 20.60444 319.9563       104.4838 -448.1166      710.2176 336.9474       105.6332 94.93600 46.49059 113.2351 20.25609 -18.29912      50.71177 
1 1 1 -5  -14 26 o 46.02270 20.18315 -6.809507      85.08710 -41.81020      579.8826 -6.039356      86.01814 96.10503 45.77753 46.35947 20.31310 49.74555       50.08197 
1 1 1 -5  -14 27 o 57.59299 25.62096 -4.934574      141.8841 36.14372       452.3687 -9.416537      149.4241 88.93092 41.77681 58.46388 26.13167 30.46704       49.27642 
1 1 1 -5  -13 1  o 239.0529 10.96702 1373.897       125.0064 1317.076       177.4119 1429.923       176.1662 233.2861 16.00385 243.2558 15.22418 -9.969742      22.08843 
1 1 1 -5  -13 2  o 304.2902 12.37720 2227.726       179.6849 2330.883       254.9155 2125.859       253.3176 310.3394 17.24896 296.1747 17.97456 14.16470       24.91208 
1 1 1 -5  -13 3  o 205.7213 9.170762 1016.487       89.97047 1037.530       117.3091 986.4281       140.2056 207.5147 11.87384 201.9061 14.62382 5.608612       18.83731 
1 1 1 -5  -13 4  o 336.8246 7.601188 2717.464       122.4035 2742.429       176.8851 2694.524       169.5567 337.8241 10.96650 334.9147 10.60278 2.909424       15.25395 
1 1 1 -5  -13 5  o 201.0072 8.518117 970.1411       81.67289 944.7432       121.8279 990.8734       110.0707 197.7731 12.95594 202.7952 11.39875 -5.022171      17.25654 
1 1 1 -5  -13 6  o 170.2245 9.636170 697.3816       78.10119 771.8276       112.3643 627.7969       108.6337 178.5947 13.25434 160.8002 14.27921 17.79451       19.48265 
1 1 1 -5  -13 7  f 260.7454 8.634672 1632.025       107.4909 1514.757       169.8718 1710.336       138.8171 250.2781 14.25574 266.6070 10.91396 -16.32889      17.95385 
1 1 1 -5  -13 8  o 433.0190 10.08380 4502.558       208.7562 4676.202       239.2881 3949.380       427.0936 440.8778 11.36205 401.4392 22.34146 39.43866       25.06465 
1 1 1 -5  -13 9  o 252.4776 9.187713 1531.962       110.7169 1575.625       180.0505 1505.413       140.3987 254.9749 14.83434 249.8462 11.78713 5.128677       18.94714 
1 1 1 -5  -13 10 o 262.7070 12.10581 1665.675       151.6369 1608.968       220.2346 1716.790       209.0928 256.6850 18.06168 265.6278 16.54700 -8.942871      24.49546 
1 1 1 -5  -13 11 o 290.2421 12.26742 2033.874       169.8406 2235.510       245.5438 1848.909       235.1736 302.9543 17.02133 275.1268 17.97763 27.82745       24.75724 
1 1 1 -5  -13 12 o 256.5146 9.750134 1583.695       119.3547 1676.832       193.4830 1526.481       151.6460 262.6240 15.47854 251.2410 12.66588 11.38303       20.00024 
1 1 1 -5  -13 13 o 273.6386 10.21210 1803.402       133.3639 1842.363       236.0385 1785.131       161.6366 274.4166 18.09230 271.7477 12.47457 2.668823       21.97604 
1 1 1 -5  -13 14 o 143.3882 12.34068 499.6595       83.77596 503.3479       115.9481 495.6308       121.1791 142.8024 17.33801 141.4222 18.35524 1.380157       25.24918 
1 1 1 -5  -13 15 o 62.14336 22.55162 80.34109       86.43460 -8.608144      142.3320 132.3087       108.7923 61.04702 26.44662 75.05737 25.44662 -14.01036      36.70087 
1 1 1 -5  -13 16 o 79.92963 16.41045 161.0174       60.60817 80.94044       97.35366 211.6948       77.44714 64.01507 23.81403 91.50819 18.34193 -27.49313      30.05885 
1 1 1 -5  -13 17 o 207.7666 11.59369 1045.279       114.7043 1103.369       170.5828 997.3351       154.9715 211.9602 16.97521 201.6964 16.20742 10.26385       23.46995 
1 1 1 -5  -13 18 o 210.9283 12.76171 1080.750       128.0901 903.1671       200.8705 1202.446       166.2848 189.4718 22.62135 221.6141 15.79808 -32.14233      27.59175 
1 1 1 -5  -13 19 o 160.9364 13.55565 632.3610       103.3310 564.6481       149.7614 693.8859       142.7545 149.6112 21.55907 167.3126 18.13617 -17.70148      28.17293 
1 1 1 -5  -13 20 o 163.2884 12.87305 649.9589       99.68285 522.1461       158.1139 734.2719       128.4192 142.7418 24.02130 172.8317 15.71329 -30.08989      28.70418 
1 1 1 -5  -13 21 o 54.82209 20.83891 55.35169       75.42964 26.20017       212.6025 59.54963       80.67813 75.89542 32.59605 56.68369 21.55049 19.21173       39.07590 
1 1 1 -5  -13 22 o 28.75552 14.17408 -146.5631      69.56140 -49.77171      343.8434 -150.6936      71.03013 87.12704 39.23531 28.98570 14.29428 58.14133       41.75806 
1 1 1 -5  -13 23 o 243.2728 15.32445 1458.124       177.3269 1706.886       417.3061 1403.308       195.8926 247.6642 36.32285 237.6414 17.36179 10.02281       40.25893 
1 1 1 -5  -13 24 o 201.1742 15.58319 1002.309       148.7099 1220.427       416.8215 970.4965       159.1856 199.7791 44.75376 197.2693 17.04565 2.509796       47.89001 
1 1 1 -5  -13 25 o 105.3749 28.09888 307.7817       144.1449 221.7640       403.8739 320.3383       154.3075 104.4123 44.88632 107.0241 29.30415 -2.611824      53.60518 
1 1 1 -5  -13 26 o 69.04836 23.07310 121.8498       89.45606 26.72965       262.3300 134.3663       95.15984 78.50400 34.88573 71.97436 23.78982 6.529640       42.22523 
1 1 1 -5  -13 27 o 86.86899 22.97493 206.2227       96.86701 -33.00454      273.4492 240.5502       103.5840 74.96968 34.24273 93.73339 23.23257 -18.76371      41.38015 
1 1 1 -5  -13 28 o 144.0889 24.50657 576.3074       162.7803 863.8788       461.5977 535.4664       173.9557 137.8353 51.73757 136.2520 27.65074 1.583359       58.66293 
1 1 1 -5  -12 1  o 311.6015 8.996929 2327.601       133.8897 2378.984       156.8891 2189.869       256.8623 314.8721 10.43640 300.9506 17.93374 13.92148       20.74940 
1 1 1 -5  -12 2  o 253.0771 11.23951 1538.918       135.6513 1503.002       192.5363 1574.318       191.1510 249.4029 16.23566 255.3568 15.73385 -5.953903      22.60864 
1 1 1 -5  -12 3  o 259.5996 8.866277 1616.122       109.8793 1712.400       135.4218 1430.600       187.9846 267.0469 10.62823 243.2717 16.25630 23.77519       19.42233 
1 1 1 -5  -12 4  o 699.4764 10.68914 11731.67       357.4574 11801.24       378.3317 11152.92       1091.225 701.4244 11.28193 671.8331 34.08521 29.59137       35.90380 
1 1 1 -5  -12 5  o 649.5746 22.42401 10242.68       695.3427 10484.77       983.9680 10001.18       982.7594 652.3239 31.64513 636.6146 32.39608 15.70935       45.28709 
1 1 1 -5  -12 6  o 32.89514 12.96040 14.52614       29.96749 38.92833       49.05780 -0.8565870E-07 37.85027 45.65066 16.91944 32.61781 13.87408 13.03284       21.88053 
1 1 1 -5  -12 7  o 110.7019 11.60903 297.4429       60.52831 324.5203       90.87342 275.8504       81.14947 114.7454 17.08535 105.7012 16.60506 9.044182       23.82514 
1 1 1 -5  -12 8  o 487.9551 17.43782 5760.958       406.1456 6050.162       576.1617 5475.312       572.6080 497.2766 24.30837 472.4870 25.44275 24.78964       35.18850 
1 1 1 -5  -12 9  o 443.6030 10.07857 4722.618       213.7478 5021.611       498.9432 4655.410       236.5543 453.0923 23.10962 440.0800 11.25245 13.01227       25.70355 
1 1 1 -5  -12 10 o 310.6210 12.77610 2326.152       189.3257 2457.262       272.0575 2203.033       263.6351 317.9713 17.96948 300.8947 18.41473 17.07660       25.72945 
1 1 1 -5  -12 11 o 87.51530 15.94870 190.8169       64.27168 114.9081       143.9883 209.7045       71.82399 77.17065 28.91070 91.63671 17.02068 -14.46606      33.54895 
1 1 1 -5  -12 12 o 52.34012 21.00974 33.06660       80.18517 52.76221       150.3760 25.24149       94.78493 69.86151 28.50595 54.68019 22.50715 15.18132       36.32026 
1 1 1 -5  -12 13 o 381.6433 10.02296 3503.126       182.7200 3432.512       377.9859 3524.659       208.7281 373.8177 21.23722 382.4655 11.42793 -8.647736      24.11674 
1 1 1 -5  -12 14 o 163.8141 12.33882 650.6241       95.92439 769.4373       152.3468 572.5793       123.4734 176.8408 18.28284 152.5592 17.22995 24.28160       25.12237 
1 1 1 -5  -12 15 o 316.0605 10.24060 2405.267       154.5363 2431.132       284.6277 2394.455       184.0220 315.0158 18.98703 314.8606 12.24820 0.1552429      22.59482 
1 1 1 -5  -12 16 o 388.2119 14.92241 3658.087       276.4437 3816.744       394.5588 3505.104       387.4393 393.6358 21.04214 376.8841 21.59280 16.75168       30.14997 
1 1 1 -5  -12 17 o 165.4211 11.65248 663.1635       91.56512 728.0930       139.2274 613.6749       121.5504 172.0577 17.15388 158.0460 16.32112 14.01176       23.67772 
1 1 1 -5  -12 18 o 83.04937 19.07395 175.6060       74.13486 252.2388       173.0988 158.3923       82.03972 99.54594 32.03204 78.80096 21.28068 20.74498       38.45671 
1 1 1 -5  -12 19 o 81.02826 21.70855 168.1891       85.78632 243.5436       116.2233 77.99641       127.1524 96.86494 24.94607 68.42851 26.77547 28.43642       36.59553 
1 1 1 -5  -12 20 f 110.6729 15.48926 303.7865       79.71478 264.4096       134.5957 325.0608       98.93219 100.5095 27.30635 113.6276 18.87333 -13.11812      33.19396 
1 1 1 -5  -12 21 o 158.9684 14.72772 619.7164       110.6596 405.2595       222.8690 689.8873       127.4846 122.2265 35.82995 167.3925 16.12939 -45.16601      39.29304 
1 1 1 -5  -12 22 o 227.6377 12.73002 1260.407       137.9902 1318.904       212.1624 1217.519       181.6635 230.2875 19.45210 222.1323 17.24086 8.155243       25.99291 
1 1 1 -5  -12 23 o 149.0641 16.73614 552.7684       117.2139 723.3820       385.0016 535.3386       123.0555 153.7876 47.55049 146.2338 17.97933 7.553818       50.83606 
1 1 1 -5  -12 24 o 185.4532 16.19512 852.4940       142.1518 725.2960       404.0228 870.4647       151.8618 151.4884 48.95436 187.0014 17.17794 -35.51295      51.88074 
1 1 1 -5  -12 25 o 90.70415 27.81010 218.8998       132.0287 217.4933       247.7020 219.4580       156.0427 96.71774 37.50541 91.44685 30.47170 5.270889       48.32370 
1 1 1 -5  -12 26 o 206.6185 16.32499 1066.233       159.9520 131.9003       306.0206 1417.440       187.6211 92.11694 39.32439 238.2358 16.57615 -146.1188      42.67524 
1 1 1 -5  -12 27 o 94.19122 22.74579 239.5376       101.2619 17.48357       265.4325 277.3601       109.5469 78.30523 34.92593 101.3143 23.12709 -23.00908      41.88894 
1 1 1 -5  -12 28 o 73.27255 28.44373 120.7296       142.5818 -265.4736      271.4652 267.8582       167.5540 63.21432 30.42990 96.01701 31.55987 -32.80268      43.84067 
1 1 1 -5  -12 29 o 44.30349 20.95415 -105.5251      117.3545 -326.0608      166.6387 111.4766       165.2982 43.27945 21.44312 73.10397 29.86489 -29.82452      36.76573 
1 1 1 -5  -11 1  o 219.0670 8.709208 1150.926       91.03272 1187.445       114.2295 1087.367       150.6980 222.3315 10.77866 212.2339 14.94759 10.09763       18.42851 
1 1 1 -5  -11 2  o 369.3055 9.020835 3266.206       159.2725 2992.957       340.2809 3342.864       180.2346 351.6434 20.32739 373.3916 10.10566 -21.74820      22.70082 
1 1 1 -5  -11 3  f 733.0949 8.160866 12866.42       286.0255 12487.90       405.7861 13240.19       403.2284 721.6417 11.76162 743.1408 11.34937 -21.49915      16.34454 
1 1 1 -5  -11 4  f 1157.137 12.51952 32124.34       692.5973 26351.81       2728.583 32521.88       716.0488 1011.498 56.65033 1164.156 12.86540 -152.6577      58.09284 
1 1 1 -5  -11 5  o 437.4487 9.550095 4584.422       199.7299 4520.305       470.3354 4598.528       220.6094 431.5633 22.87753 438.0172 10.53475 -6.453888      25.18655 
1 1 1 -5  -11 6  f 222.1414 8.554396 1183.506       90.68071 1169.293       138.5261 1194.162       119.9534 220.2975 13.21339 222.8696 11.29462 -2.572052      17.38281 
1 1 1 -5  -11 7  o 352.4023 10.07228 2978.959       169.5232 3035.397       200.4098 2837.010       317.8347 355.4980 11.80800 342.2546 19.50498 13.24344       22.80073 
1 1 1 -5  -11 8  o 235.2437 10.48374 1329.595       117.6116 1408.907       162.2818 1241.848       170.6927 241.6882 14.10580 226.5773 15.85772 15.11084       21.22359 
1 1 1 -5  -11 9  o 403.7277 9.895240 3908.278       190.9955 3969.351       418.3917 3892.201       214.6684 403.9542 21.74434 402.5757 11.16430 1.378479       24.44295 
1 1 1 -5  -11 10 f 296.3717 10.85978 2111.045       153.6141 2129.921       196.3914 2081.296       246.5524 297.1946 13.86025 292.9727 17.68482 4.221924       22.46908 
1 1 1 -5  -11 11 o 215.9957 11.43696 1123.881       117.6830 1088.133       173.4760 1154.359       160.1762 211.4693 17.31002 218.2304 15.45226 -6.761047      23.20364 
1 1 1 -5  -11 12 o 102.6647 15.60684 260.1132       74.19388 266.1748       104.6575 253.9890       105.1965 102.6081 21.99526 100.1124 22.52522 2.495667       31.48297 
1 1 1 -5  -11 13 o 98.65981 15.05520 240.3257       68.76680 274.2080       89.88931 192.5146       106.7790 104.7673 18.62896 87.28931 24.55934 17.47800       30.82530 
1 1 1 -5  -11 14 o 222.4892 10.28554 1192.201       109.1108 1311.270       167.3234 1104.111       143.9197 232.3767 15.14356 213.3629 14.18952 19.01373       20.75259 
1 1 1 -5  -11 15 o 246.0698 10.47225 1458.814       122.9172 1412.069       199.0806 1487.611       156.2578 240.4265 17.43814 247.9186 13.23123 -7.492065      21.88959 
1 1 1 -5  -11 16 o 261.3463 10.62463 1646.126       132.4745 1733.915       220.2276 1596.349       165.8321 266.4486 17.38312 256.6992 13.56061 9.749420       22.04683 
1 1 1 -5  -11 17 o 185.3572 11.61106 831.1968       102.3771 835.6570       152.0093 827.4943       138.4982 184.4931 17.44085 183.9899 15.90087 0.5032196      23.60129 
1 1 1 -5  -11 18 o 236.3144 12.04569 1350.932       135.6423 1486.560       205.2605 1245.787       180.7272 246.3316 17.54401 225.6097 16.87782 20.72191       24.34447 
1 1 1 -5  -11 19 o 223.6655 11.82266 1210.717       125.9730 1196.168       195.5200 1221.043       164.7189 220.2880 18.74269 223.6414 15.50168 -3.353470      24.32263 
1 1 1 -5  -11 20 o 206.0500 12.04346 1029.355       118.1231 1243.698       180.6442 869.2444       156.1274 225.0935 16.90983 187.7516 17.59863 37.34189       24.40603 
1 1 1 -5  -11 21 o 55.22036 21.06748 54.53682       77.27145 -154.4865      208.7872 87.71101       83.17764 62.43447 29.01562 62.88788 22.20301 -0.4534111     36.53601 
1 1 1 -5  -11 22 o 190.3007 12.89585 881.2245       116.6342 892.0792       184.0693 873.9426       150.7630 188.9027 20.72114 188.3215 16.92542 0.5811920      26.75510 
1 1 1 -5  -11 23 o 287.2271 13.63277 2008.559       186.6709 1941.483       277.9743 2063.654       251.9283 278.9403 20.99835 289.0573 18.32424 -10.11700      27.86949 
1 1 1 -5  -11 24 o 240.2903 14.18154 1413.385       162.1931 1698.395       297.2072 1292.505       193.5559 257.8210 24.40238 228.1684 17.88651 29.65259       30.25564 
1 1 1 -5  -11 25 o 230.8652 14.71567 1310.248       161.5773 1114.133       304.6082 1387.035       190.6021 202.3852 32.58775 236.4991 16.97017 -34.11397      36.74164 
1 1 1 -5  -11 26 o 83.98325 23.33516 185.6108       97.04586 361.4861       254.3167 155.6360       104.9905 113.2664 38.89500 77.91966 24.93425 35.34679       46.20106 
1 1 1 -5  -11 27 o 68.83021 23.68923 115.9785       94.35480 37.02317       258.8316 128.0789       101.3274 80.48883 35.25265 71.79837 24.55420 8.690460       42.96112 
1 1 1 -5  -11 28 o 112.8431 18.94411 330.7330       98.58339 286.0725       177.1401 350.7719       118.6567 99.57765 32.43330 114.5596 22.46784 -14.98198      39.45532 
1 1 1 -5  -11 29 o 143.6626 20.22553 541.0654       135.0755 419.3008       196.2030 650.7749       186.2376 117.6571 33.35594 153.4113 26.34078 -35.75426      42.50242 
1 1 1 -5  -11 30 o 38.30295 18.88541 -232.9134      123.7804 -491.9337      177.9730 9.773613       172.2702 39.95107 20.13347 63.76772 28.30748 -23.81665      34.73716 
1 1 1 -5  -11 31 o 82.71602 23.82017 195.8127       99.29541 588.4379       191.7919 52.03619       116.0607 139.2058 29.72239 58.88100 24.62711 80.32481       38.59941 
1 1 1 -5  -10 1  f 578.3823 20.21809 8074.634       558.2066 8014.921       789.6129 8134.289       789.2339 573.3633 28.89871 577.7180 28.66421 -4.354614      40.70347 
1 1 1 -5  -10 2  o 867.4996 11.66226 18040.73       483.6823 18330.16       1707.333 18015.47       504.3442 859.2584 41.68539 866.7823 12.17050 -7.523926      43.42572 
1 1 1 -5  -10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  -10 4  o 542.2188 27.33828 7158.016       706.3998 7158.016       706.3998 0.000000       0.000000 542.2188 27.33828 ?        ?        0.000000       27.33828 
1 1 1 -5  -10 5  o 75.93082 14.43134 143.0064       50.47360 -0.5147606     75.46768 259.1617       67.89262 45.92122 19.56369 102.9437 14.17031 -57.02245      24.15648 
1 1 1 -5  -10 6  o 532.0408 9.397777 6779.948       239.0443 4950.107       597.8241 7128.194       260.8011 450.3322 27.90427 545.4623 10.00083 -95.13013      29.64229 
1 1 1 -5  -10 7  o 79.34669 15.06192 156.2510       55.04777 -77.80798      111.1834 232.2580       63.35839 47.38688 21.71585 97.36700 14.01391 -49.98011      25.84508 
1 1 1 -5  -10 8  o 229.7143 11.50008 1268.585       125.8966 974.6033       167.1693 1653.814       191.3623 200.4088 17.62684 261.8401 15.35401 -61.43129      23.37630 
1 1 1 -5  -10 9  o 259.6972 9.125070 1617.600       113.1192 1817.163       176.4465 1478.344       147.3943 274.7489 13.47396 247.8800 12.47756 26.86896       18.36402 
1 1 1 -5  -10 10 o 344.9473 10.31393 2855.308       169.9015 2708.859       196.8271 3283.432       336.5323 335.7042 12.28437 368.2504 19.18115 -32.54623      22.77767 
1 1 1 -5  -10 11 f 133.1209 14.35007 431.1738       89.88782 326.2673       152.0891 487.4897       111.4326 113.2494 28.19889 141.2104 16.83710 -27.96102      32.84304 
1 1 1 -5  -10 12 o 134.2088 13.66830 437.7737       86.47826 624.4169       133.9238 304.2942       113.2555 159.7757 17.83616 109.9670 22.30588 49.80865       28.56013 
1 1 1 -5  -10 13 o 159.6707 10.87040 615.0411       82.48624 727.8063       121.6090 518.9515       112.2577 173.1293 14.83505 145.6886 16.40158 27.44070       22.11539 
1 1 1 -5  -10 14 o 231.2453 11.54628 1288.818       127.2469 1278.471       183.1065 1298.481       176.9596 229.2650 16.82255 231.2252 16.10850 -1.960205      23.29124 
1 1 1 -5  -10 15 o 410.8191 10.38014 4058.088       203.7109 4307.678       238.9639 3394.383       389.6783 422.9056 11.83061 371.8632 22.01724 51.04242       24.99445 
1 1 1 -5  -10 16 o 86.85844 18.83989 190.6190       75.97879 142.8790       98.82005 259.6445       118.8251 76.46725 24.15820 100.6277 24.84895 -24.16046      34.65673 
1 1 1 -5  -10 17 o 587.4527 8.585780 8284.602       241.1354 8611.966       355.5459 8005.768       328.1350 597.5519 12.44548 576.3533 11.90845 21.19855       17.22502 
1 1 1 -5  -10 18 o 101.6462 15.28584 255.7859       71.98521 181.7020       116.2514 301.8575       91.67553 85.14105 26.09395 109.9395 18.06897 -24.79847      31.73928 
1 1 1 -5  -10 19 o 50.94870 19.10641 48.21085       62.92134 -4.826345      111.2668 73.14546       76.29156 54.48336 23.49236 58.96524 21.21550 -4.481873      31.65420 
1 1 1 -5  -10 20 o 249.9802 11.87054 1511.484       141.4628 1766.214       231.8802 1360.475       178.5359 268.2264 18.18991 236.0196 15.91534 32.20680       24.16963 
1 1 1 -5  -10 21 o 203.7702 12.41292 1007.600       120.3533 1131.619       185.0943 916.7577       158.4138 214.2038 18.24769 192.9430 17.35875 21.26080       25.18540 
1 1 1 -5  -10 22 o 198.7626 13.33583 961.9579       125.9919 940.8871       186.0523 979.8048       171.2283 194.2455 20.33538 199.0676 18.19234 -4.822052      27.28532 
1 1 1 -5  -10 23 o 123.1412 15.88086 375.6917       91.31978 508.3167       157.4183 308.4218       112.1123 140.7236 24.27479 109.6049 22.15788 31.11861       32.86696 
1 1 1 -5  -10 24 o 114.4695 17.58977 328.5252       93.18745 393.1938       169.4996 300.5112       111.5604 121.4401 29.49207 107.9688 22.34923 13.47140       37.00365 
1 1 1 -5  -10 25 o 109.4206 25.27012 315.9845       129.5277 339.6292       202.8830 299.7157       168.2888 111.4188 34.52953 105.3847 31.19936 6.034134       46.53696 
1 1 1 -5  -10 26 o 113.8974 21.25350 335.1280       111.4761 532.5078       362.8167 314.5522       117.1425 133.0028 46.41693 109.6017 23.08600 23.40109       51.84105 
1 1 1 -5  -10 27 o 93.39626 23.41908 230.9851       104.3668 146.7353       273.9507 245.2889       112.8793 92.01867 38.10737 95.96520 24.51689 -3.946533      45.31279 
1 1 1 -5  -10 28 o 72.69883 24.70465 132.6086       102.5460 178.8613       284.5670 125.7059       109.9319 93.99590 38.87431 72.04603 25.51707 21.94987       46.50089 
1 1 1 -5  -10 29 o 124.2580 30.70414 446.3793       181.3329 618.7275       302.4192 349.6313       226.5828 136.6328 42.12543 107.4283 36.71827 29.20443       55.88187 
1 1 1 -5  -10 30 o 92.55531 33.22680 246.3176       187.0129 245.6762       322.6205 246.6421       229.5052 97.21243 40.88522 93.69216 36.16379 3.520271       54.58407 
1 1 1 -5  -10 31 o 133.2926 27.02608 512.4739       166.3244 355.8762       228.6282 688.5246       242.4131 103.5220 36.78560 146.6560 35.05186 -43.13400      50.81155 
1 1 1 -5  -9  1  o 94.82752 8.223351 216.8948       36.91317 264.1730       52.82334 171.7737       51.60422 104.4430 10.73134 83.57204 13.36580 20.87101       17.14077 
1 1 1 -5  -9  2  o 161.1786 9.071706 624.0723       69.62228 676.0076       98.89906 573.0474       98.02828 167.4265 12.44446 153.9480 13.45398 13.47858       18.32687 
1 1 1 -5  -9  3  o 43.94030 11.46163 47.98719       24.32537 93.68667       33.11960 -5.540719      35.84426 61.50470 11.69059 30.59696 13.26339 30.90774       17.68014 
1 1 1 -5  -9  4  o 291.1889 11.94622 2036.240       165.9550 2119.142       235.5805 1954.572       233.8212 296.4297 16.69041 284.5591 17.26840 11.87057       24.01598 
1 1 1 -5  -9  5  o 721.8351 8.139807 12472.41       280.9056 12154.03       397.5708 12789.80       396.9510 712.0457 11.67880 730.4861 11.36623 -18.44043      16.29680 
1 1 1 -5  -9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  -9  7  o 376.8618 7.976740 3399.683       143.7196 3338.418       209.3439 3454.300       197.6594 372.9679 11.75502 379.4956 10.90568 -6.527710      16.03479 
1 1 1 -5  -9  8  o 401.8177 15.22631 3884.877       291.9751 3783.916       414.5374 3984.273       411.3118 395.1452 22.03035 405.6841 21.28120 -10.53894      30.63047 
1 1 1 -5  -9  9  o 303.1690 13.18428 2210.024       190.6382 1766.079       272.2296 2637.240       267.0513 269.5897 21.29425 330.6304 16.95101 -61.04071      27.21731 
1 1 1 -5  -9  10 o 75.04790 18.03271 141.1085       63.89220 96.68253       85.88938 196.1522       95.60367 65.99944 22.60544 88.36469 22.55645 -22.36525      31.93430 
1 1 1 -5  -9  11 o 292.0528 12.58787 2051.097       175.3481 1759.661       249.2711 2336.571       246.7082 269.3018 19.49278 311.0865 16.64864 -41.78464      25.63485 
1 1 1 -5  -9  12 o 167.5390 10.77989 675.9887       85.88708 797.3384       125.4292 568.8611       117.8501 181.5044 14.57698 152.8176 16.38610 28.68680       21.93155 
1 1 1 -5  -9  13 o 301.5816 10.76645 2185.190       154.9845 2154.583       193.0344 2240.707       259.9827 299.0198 13.53800 304.0378 17.96589 -5.018005      22.49557 
1 1 1 -5  -9  14 o 238.9240 11.67322 1374.714       132.9359 1324.953       191.1846 1421.293       184.9691 233.5258 17.24585 242.1609 16.06756 -8.635086      23.57087 
1 1 1 -5  -9  15 o 220.6836 11.42099 1173.594       120.0887 1285.408       174.9828 1074.042       165.1091 230.1241 16.00441 210.1380 16.56851 19.98613       23.03599 
1 1 1 -5  -9  16 o 175.4996 12.48087 745.3315       104.0366 791.8177       174.4173 719.6578       129.6200 179.0660 20.75770 171.7653 15.96724 7.300705       26.18845 
1 1 1 -5  -9  17 o 123.5898 13.29720 372.6633       77.33434 350.2502       120.8234 388.2178       100.6532 117.7030 22.28696 125.3368 17.25474 -7.633774      28.18572 
1 1 1 -5  -9  18 o 214.3002 11.83597 1109.972       120.7938 1196.140       183.3100 1043.838       160.5920 221.0946 17.48425 206.7524 16.38046 14.34227       23.95869 
1 1 1 -5  -9  19 o 61.91034 21.18281 87.16195       75.41440 185.1419       187.8591 68.33849       82.34048 91.49429 33.24047 59.13799 21.91959 32.35630       39.81705 
1 1 1 -5  -9  20 o 264.9811 11.49958 1695.921       145.3349 1692.889       236.4966 1697.761       184.2268 262.4379 18.97726 264.2851 14.63765 -1.847260      23.96659 
1 1 1 -5  -9  21 o 152.5903 13.34637 567.5511       96.38493 471.6852       150.6402 634.0018       125.4176 135.9947 24.04874 160.5379 16.57899 -24.54326      29.20967 
1 1 1 -5  -9  22 o 226.9832 13.87376 1253.953       149.8362 1104.652       262.6609 1325.976       182.4314 207.8364 27.07732 232.5847 16.51368 -24.74828      31.71566 
1 1 1 -5  -9  23 o 217.2984 14.17722 1151.817       146.4799 1314.384       265.8597 1080.957       175.5245 227.7056 24.82283 209.3046 17.70682 18.40099       30.49105 
1 1 1 -5  -9  24 o 314.6237 13.45656 2406.403       201.9433 2803.508       301.9231 2084.935       271.6514 337.0109 18.81358 290.0339 19.70798 46.97699       27.24620 
1 1 1 -5  -9  25 o 148.1110 18.24999 547.4150       126.4988 665.3654       175.7432 420.6029       182.2254 161.4672 23.45119 125.1403 30.69495 36.32688       38.62821 
1 1 1 -5  -9  26 o 106.1186 20.04976 288.8157       97.99394 343.6714       168.1212 260.5887       120.5990 112.4466 30.50515 99.21951 25.33769 13.22709       39.65555 
1 1 1 -5  -9  27 o 159.0520 17.52272 633.3408       131.0391 605.5248       191.7456 657.7159       179.4948 150.6868 27.63399 158.9235 24.40289 -8.236694      36.86649 
1 1 1 -5  -9  28 o 210.8455 15.50536 1101.059       155.2052 1074.406       225.9024 1124.888       213.6006 203.7072 23.63373 209.7767 21.60658 -6.069504      32.02183 
1 1 1 -5  -9  29 o 75.94270 27.21954 141.6362       125.4487 21.69247       195.5370 225.5396       163.5421 70.65559 30.79932 91.24610 31.19471 -20.59052      43.83729 
1 1 1 -5  -9  30 o 84.77876 34.35525 161.5239       216.6522 -51.61444      344.5877 300.8550       278.6077 81.51018 37.66975 101.6312 39.67299 -20.12098      54.70792 
1 1 1 -5  -9  31 o 127.1988 35.63923 511.3664       225.3514 299.1528       359.6393 648.5517       289.1574 101.4615 42.94521 137.9860 40.90792 -36.52451      59.31062 
1 1 1 -5  -9  32 o 122.9803 36.76379 514.6750       232.7780 838.5104       381.3592 322.3752       293.8743 140.6451 47.64325 98.00611 39.90247 42.63897       62.14568 
1 1 1 -5  -8  1  o 460.7480 9.417372 5088.771       207.4443 5204.931       519.9229 5066.777       226.2318 462.0269 23.61600 459.6269 10.29532 2.400085       25.76256 
1 1 1 -5  -8  2  o 421.6827 7.173204 4256.840       144.6130 4310.517       205.2872 4203.966       203.7489 424.0244 10.12657 418.7448 10.17742 5.279663       14.35713 
1 1 1 -5  -8  3  o 253.2868 8.347416 1537.984       100.9437 1584.768       120.9907 1430.835       183.1026 256.9698 9.866639 243.3675 15.82284 13.60226       18.64706 
1 1 1 -5  -8  4  o 130.0685 8.289222 406.6950       51.27769 438.9484       71.38290 372.3060       73.70820 134.8547 11.17201 123.9361 12.61535 10.91863       16.85114 
1 1 1 -5  -8  5  o 423.1086 7.303193 4284.345       147.7315 4297.954       211.3656 4271.347       206.5648 423.5249 10.43871 422.2314 10.23287 1.293488       14.61774 
1 1 1 -5  -8  6  f 235.2343 8.503365 1326.468       95.47392 1515.378       174.1096 1245.239       114.1697 250.8078 14.58312 227.7349 10.51445 23.07289       17.97835 
1 1 1 -5  -8  7  o 396.5561 9.385369 3765.981       177.9362 3323.284       385.1286 3886.125       200.6338 370.4113 21.84468 402.6117 10.43219 -32.20044      24.20786 
1 1 1 -5  -8  8  o 464.0825 10.93133 5161.323       242.5361 0.000000       0.000000 5161.323       242.5361 ?        ?        464.0825 10.93133 0.000000       10.93133 
1 1 1 -5  -8  9  o 357.4213 10.94677 3064.588       186.8369 2882.045       217.5497 3577.655       364.7225 346.3266 13.16302 384.7134 19.89734 -38.38681      23.85727 
1 1 1 -5  -8  10 o 580.4017 11.50260 8076.556       319.1781 7831.338       342.5897 9688.997       878.4956 571.3627 12.54163 629.9776 29.24779 -58.61493      31.82335 
1 1 1 -5  -8  11 o 390.2195 10.64336 3652.424       198.3765 3537.171       226.8032 4027.685       409.2516 383.7767 12.37743 407.8114 21.06185 -24.03470      24.42954 
1 1 1 -5  -8  12 o 215.2986 10.20720 1113.451       104.7654 919.0386       154.2569 1279.904       142.7344 194.6863 16.73522 230.5381 13.00294 -35.85178      21.19302 
1 1 1 -5  -8  13 o 222.1503 10.46095 1185.886       110.7910 1030.916       168.6194 1303.611       146.9672 206.1130 17.27038 232.5844 13.27205 -26.47139      21.78103 
1 1 1 -5  -8  14 o 330.6021 10.33922 2624.131       163.2178 2623.058       303.1665 2624.569       193.6834 328.7472 19.37496 330.3340 12.28537 -1.586792      22.94164 
1 1 1 -5  -8  15 o 422.1872 8.716046 4272.583       175.9272 4283.370       260.8289 4263.579       238.2929 421.8221 12.94889 421.0852 11.84854 0.7368774      17.55169 
1 1 1 -5  -8  16 o 261.5073 10.93102 1645.620       136.3623 1754.207       223.9662 1581.655       171.8959 268.6451 17.53376 255.7980 14.11061 12.84705       22.50649 
1 1 1 -5  -8  17 o 138.6010 14.35178 468.4464       93.72553 449.8504       180.1208 475.3510       109.7548 132.1411 29.28189 139.1205 16.84414 -6.979340      33.78097 
1 1 1 -5  -8  18 o 230.8807 12.26014 1287.929       134.8441 1207.799       198.1286 1357.074       184.0458 221.9451 18.85027 236.0407 16.41133 -14.09566      24.99329 
1 1 1 -5  -8  19 o 289.3083 11.38809 2018.980       157.2066 2117.157       263.1972 1964.527       196.0130 294.0120 18.82327 284.5906 14.45375 9.421356       23.73239 
1 1 1 -5  -8  20 o 223.9231 13.18090 1215.518       140.4841 1233.044       225.1966 1204.352       179.7481 223.0552 21.37881 221.8478 17.07868 1.207413       27.36302 
1 1 1 -5  -8  21 o 356.4234 10.59539 3061.880       180.3470 3380.267       363.4264 2957.860       207.7288 370.3671 20.60588 349.7670 12.44234 20.60007       24.07102 
1 1 1 -5  -8  22 o 144.3988 14.79888 511.1435       100.7209 291.3436       163.5527 645.4302       127.8382 105.5827 30.62108 161.9130 16.75659 -56.33023      34.90607 
1 1 1 -5  -8  23 o 62.06516 22.03042 84.43336       81.98118 -67.98489      144.4195 156.8996       99.58076 55.66350 25.21272 78.91171 24.14416 -23.24821      34.90876 
1 1 1 -5  -8  24 o 129.1518 19.85044 420.3292       118.6515 387.0496       159.5235 461.5372       177.5113 121.1137 28.09531 132.1753 28.89858 -11.06164      40.30477 
1 1 1 -5  -8  25 o 46.94934 21.60193 -75.60266      111.5441 -150.0476      147.5663 23.63402       170.3750 50.07742 23.62823 69.16676 29.42848 -19.08933      37.74028 
1 1 1 -5  -8  26 o 86.46375 22.80000 194.1057       95.57889 153.0848       166.2698 214.3505       116.8069 83.58059 31.11606 90.59145 25.75493 -7.010864      40.39215 
1 1 1 -5  -8  27 f 325.8330 14.93010 2605.826       231.9586 2436.478       341.7641 2750.462       315.8448 309.3475 23.27928 331.3632 20.03060 -22.01572      30.71074 
1 1 1 -5  -8  28 o 149.8939 19.65699 570.8231       137.4757 435.2969       210.2056 672.1165       181.7285 123.9253 34.30949 160.4164 24.46885 -36.49107      42.14103 
1 1 1 -5  -8  29 o 99.10326 26.76062 266.6055       129.7397 297.7294       200.2374 244.0848       170.3290 103.4697 34.51910 95.14136 31.83878 8.328308       46.96037 
1 1 1 -5  -8  30 o 114.7194 25.50223 359.9776       136.2464 532.3207       216.2353 246.5085       175.4561 134.4976 33.70057 94.07858 32.30653 40.41904       46.68447 
1 1 1 -5  -8  31 o 116.0624 29.47094 390.9434       163.8028 724.3865       227.1974 30.00370       236.3795 157.7327 31.23358 74.80278 33.18511 82.92992       45.57179 
1 1 1 -5  -8  32 o 204.9512 18.25013 1088.181       176.9552 719.2871       242.3093 1509.748       259.0317 152.3015 34.12569 236.2094 23.23812 -83.90790      41.28648 
1 1 1 -5  -8  33 o 84.37608 33.27439 209.5341       197.6938 496.9653       333.6593 54.04193       245.4090 110.3127 43.31148 73.79995 33.19777 36.51271       54.57084 
1 1 1 -5  -7  1  o 183.9524 6.926640 811.7403       60.80791 830.4042       86.57732 793.5699       85.42500 185.7373 9.784333 181.5472 9.879311 4.190063       13.90446 
1 1 1 -5  -7  2  o 519.9180 18.53161 6560.617       459.8977 6528.889       650.4966 6592.325       650.2906 514.6172 26.52899 517.2011 26.38622 -2.583862      37.41684 
1 1 1 -5  -7  3  o 172.2898 8.109300 712.8260       66.60870 727.7099       85.06158 689.2314       107.0982 173.8452 10.28029 168.7362 13.38555 5.108994       16.87772 
1 1 1 -5  -7  4  o 235.7756 10.51990 1336.121       118.2834 1430.135       167.9338 1243.562       166.6299 243.3658 14.49918 226.7135 15.46591 16.65236       21.19954 
1 1 1 -5  -7  5  o 87.17413 8.742020 183.8525       35.94291 167.8233       54.38437 196.2841       47.89391 82.39080 14.32646 89.74188 11.42130 -7.351082      18.32194 
1 1 1 -5  -7  6  o 403.0396 14.94393 3909.007       287.4540 4006.249       407.3064 3812.510       405.7408 406.7206 21.01805 396.6241 21.47754 10.09650       30.05067 
1 1 1 -5  -7  7  o 231.7530 8.670949 1287.777       95.90337 1377.599       121.2473 1137.664       156.7430 239.5357 10.61386 217.0902 15.19819 22.44553       18.53750 
1 1 1 -5  -7  8  o 318.8839 12.75747 2442.855       194.1011 2480.541       275.6225 2405.778       273.3919 320.5488 18.05809 315.6425 18.19391 4.906311       25.63421 
1 1 1 -5  -7  9  o 221.8349 10.34683 1181.532       109.4328 1121.460       145.9223 1258.739       165.4296 215.6781 14.23119 228.4178 15.23579 -12.73970      20.84840 
1 1 1 -5  -7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  -7  11 o 119.4565 12.92075 346.3376       72.61835 286.3329       122.8127 378.5950       90.04623 106.6395 24.59124 124.5793 15.44945 -17.93980      29.04160 
1 1 1 -5  -7  12 o 80.66440 17.22927 162.5418       64.42487 -108.6348      122.4656 266.3040       75.75436 47.78563 22.21267 104.1022 15.70939 -56.31657      27.20639 
1 1 1 -5  -7  13 o 255.0334 12.10193 1563.999       147.1361 1278.404       210.4510 1837.086       205.7910 229.3824 19.37124 275.9331 15.66397 -46.55066      24.91194 
1 1 1 -5  -7  14 o 277.3279 12.41267 1849.974       164.1592 1870.587       235.7929 1830.585       228.6827 277.9619 17.83756 275.0306 17.48226 2.931274       24.97615 
1 1 1 -5  -7  15 o 194.1700 12.34617 909.2131       114.0165 957.9759       182.0499 877.7421       146.2522 198.0775 19.47572 190.1507 16.24318 7.926849       25.36029 
1 1 1 -5  -7  16 o 360.6438 14.37213 3137.565       247.3075 3186.883       353.4255 3090.249       346.1784 361.7831 20.51754 356.2730 20.40937 5.510040       28.93979 
1 1 1 -5  -7  17 o 153.1772 16.37570 573.3965       118.0646 636.1975       189.1998 533.3458       151.0922 159.0879 25.75546 146.2927 22.30757 12.79520       34.07303 
1 1 1 -5  -7  18 o 697.0043 24.14132 11950.55       803.2460 12466.26       1138.825 11439.99       1133.120 702.2429 34.02164 671.1082 35.44193 31.13470       49.12843 
1 1 1 -5  -7  19 o 268.3335 12.70265 1740.074       162.4961 1898.660       239.0003 1603.747       221.5940 278.8226 18.02585 256.1032 18.21709 22.71939       25.62799 
1 1 1 -5  -7  20 o 381.0246 12.23442 3505.073       222.5777 3798.663       285.3169 3048.626       355.7563 395.6605 15.11108 351.8000 21.25095 43.86047       26.07580 
1 1 1 -5  -7  21 o 239.8032 13.07948 1393.508       149.3848 1381.961       245.9112 1400.261       188.0617 235.9018 22.05996 239.4248 16.53093 -3.522949      27.56653 
1 1 1 -5  -7  22 o 136.1915 14.74068 454.9365       94.45087 540.6276       150.4080 399.1439       121.3644 146.4775 22.17051 125.8294 20.90785 20.64809       30.47408 
1 1 1 -5  -7  23 o 124.5718 16.00729 383.7089       93.13285 726.7426       153.1753 182.5192       117.3068 171.1369 19.04350 85.00386 26.24123 86.13300       32.42309 
1 1 1 -5  -7  24 o 89.48673 25.06122 207.1887       111.4590 311.0247       147.8816 70.62447       169.5932 108.6214 28.22376 74.21867 30.27687 34.40277       41.39166 
1 1 1 -5  -7  25 o 218.6250 13.39562 1164.366       139.3417 1266.599       215.0004 1090.325       182.9698 225.4656 20.15819 209.7820 18.43042 15.68367       27.31361 
1 1 1 -5  -7  26 o 79.63125 23.49700 162.2359       95.58273 92.32000       172.5844 193.1694       114.7964 76.86624 30.83390 86.53654 25.80510 -9.670303      40.20737 
1 1 1 -5  -7  27 o 131.7514 18.03202 435.5101       110.6045 427.2444       197.7847 439.2712       133.4157 124.8557 32.73830 130.8512 22.11371 -5.995522      39.50712 
1 1 1 -5  -7  28 o 197.1347 14.31065 955.8764       133.9564 845.1526       236.1113 1008.433       162.6710 178.0121 28.72062 201.3392 17.05992 -23.32718      33.40532 
1 1 1 -5  -7  29 o 72.34888 23.78896 131.6478       95.19633 543.5977       340.5104 96.72020       99.14989 132.4403 45.01764 66.01138 24.12359 66.42889       51.07383 
1 1 1 -5  -7  30 o 187.6013 16.32498 880.2605       144.9622 429.0059       340.4191 980.2139       160.2144 118.7811 44.46260 197.6026 17.12801 -78.82150      47.64758 
1 1 1 -5  -7  31 o 99.48724 20.86940 263.5209       96.08928 281.1377       191.3850 257.5833       111.1083 98.31758 33.74187 96.93859 24.08175 1.378990       41.45412 
1 1 1 -5  -7  32 o 125.9929 17.99535 412.0939       105.3204 712.8032       208.4259 308.9813       122.0490 157.9783 28.65076 105.2461 24.68550 52.73219       37.81852 
1 1 1 -5  -7  33 o 59.21632 22.96288 75.38254       92.85217 38.50972       202.3929 85.21204       104.4981 69.38525 30.74824 62.35117 24.30921 7.034084       39.19684 
1 1 1 -5  -7  34 o 95.74299 22.97816 262.7626       103.8382 646.7931       217.2534 149.0574       118.2154 141.0079 32.84069 72.84821 26.38254 68.15971       42.12540 
1 1 1 -5  -6  1  o 343.0300 13.37720 2842.737       218.9638 2820.953       309.7786 2864.487       309.5448 339.8482 19.14333 342.5310 18.97649 -2.682831      26.95504 
1 1 1 -5  -6  2  o 116.7912 7.943163 328.5778       44.08793 355.5418       67.93080 308.9543       57.95113 120.9614 11.90051 112.8421 10.87653 8.119232       16.12207 
1 1 1 -5  -6  3  o 92.85403 8.280769 208.3929       36.37504 228.2267       52.48678 190.0633       50.45737 96.72947 11.57947 88.01814 12.32830 8.711327       16.91364 
1 1 1 -5  -6  4  o 108.0766 7.839430 281.4055       40.23114 301.4333       61.07407 266.0534       53.47168 111.3781 11.64133 104.6862 10.84049 6.691803       15.90713 
1 1 1 -5  -6  5  o 323.4653 12.80101 2519.980       197.5704 2573.576       280.0345 2466.862       278.7831 325.6975 18.05475 318.7702 18.37062 6.927368       25.75759 
1 1 1 -5  -6  6  o 240.3289 10.70870 1388.262       122.7324 1468.953       174.6229 1309.490       172.5356 246.6151 14.87984 232.6712 15.60072 13.94382       21.55904 
1 1 1 -5  -6  7  o 632.6680 21.91249 9698.378       661.7894 9773.626       936.3825 9623.282       935.4413 630.8338 31.14402 625.8339 31.36429 4.999878       44.20033 
1 1 1 -5  -6  8  o 386.2110 9.440648 3572.744       174.3150 3581.525       196.6848 3540.595       376.3464 386.4332 10.65621 382.4745 20.65816 3.958710       23.24467 
1 1 1 -5  -6  9  o 203.0656 10.38864 990.5242       100.5212 915.9855       143.7124 1061.924       140.6539 194.6418 15.57347 209.8624 14.10057 -15.22064      21.00855 
1 1 1 -5  -6  10 o 295.8885 9.222811 2098.599       130.3074 2214.541       249.7804 2055.245       152.7392 302.9320 17.31882 292.6491 10.93603 10.28296       20.48263 
1 1 1 -5  -6  11 o 39.95609 15.87831 19.85194       45.33879 55.80031       68.21708 -8.591742      60.68012 54.19427 19.97571 39.87829 17.27200 14.31598       26.40740 
1 1 1 -5  -6  12 o 176.2343 11.33479 747.6367       94.99559 501.2384       136.5323 978.8481       132.2578 142.6980 20.60924 201.4569 13.81554 -58.75883      24.81149 
1 1 1 -5  -6  13 o 412.9742 11.26263 4092.162       222.1597 3969.365       254.9581 4479.458       452.7880 406.4505 13.13783 429.8452 22.10731 -23.39471      25.71645 
1 1 1 -5  -6  14 o 78.74604 17.65477 155.2614       64.82039 -17.17371      99.20416 283.7270       85.62692 50.44879 21.96515 107.2121 17.29375 -56.76328      27.95606 
1 1 1 -5  -6  15 f 271.1598 12.58209 1769.251       162.6675 1725.135       235.2460 1809.671       225.1774 266.7177 18.56442 273.4539 17.31282 -6.736145      25.38447 
1 1 1 -5  -6  16 o 430.3903 11.00465 4448.475       226.2510 4956.272       488.4612 4309.770       255.2879 450.9812 22.72823 423.3126 12.62835 27.66864       26.00091 
1 1 1 -5  -6  17 o 200.8018 11.94380 972.4680       114.1437 1155.452       172.7779 830.7571       152.0488 218.0807 16.69855 184.5624 17.43861 33.51833       24.14429 
1 1 1 -5  -6  18 o 220.4202 12.43526 1172.869       130.5117 1126.463       196.0907 1209.775       174.8697 214.5131 19.32735 223.0519 16.51552 -8.538773      25.42261 
1 1 1 -5  -6  19 o 103.1161 16.73722 264.0588       79.68559 321.2249       130.6735 230.2157       100.5433 112.0841 25.02003 95.09196 22.47379 16.99216       33.63144 
1 1 1 -5  -6  20 o 221.4121 13.18600 1187.526       138.9477 1370.363       230.6804 1083.420       174.0673 235.7409 20.67678 210.3886 17.46280 25.35231       27.06434 
1 1 1 -5  -6  21 o 188.8741 14.02448 867.7001       125.7353 890.0723       222.8914 857.2578       152.2773 187.7234 25.49331 186.9122 17.23473 0.8111877      30.77246 
1 1 1 -5  -6  22 o 191.6410 15.71027 897.7637       142.6772 1201.144       238.2069 728.0311       178.1736 219.2940 23.06550 170.4266 22.40991 48.86745       32.15931 
1 1 1 -5  -6  23 o 200.8224 15.72328 986.6364       149.7579 1173.186       252.4124 885.2955       186.0400 215.5802 24.95031 188.4609 21.00453 27.11932       32.61454 
1 1 1 -5  -6  24 o 98.29514 22.67019 249.1126       104.3620 25.79032       253.8307 294.5433       114.4861 82.57656 35.54300 106.9268 23.07325 -24.35019      42.37546 
1 1 1 -5  -6  25 o 125.0288 20.18307 395.2324       116.5363 313.7423       275.8602 412.9344       128.5723 111.6944 40.32207 127.2763 21.92051 -15.58196      45.89529 
1 1 1 -5  -6  26 o 305.5941 14.06204 2276.240       204.8972 3053.550       335.1026 1812.105       258.9420 350.6542 20.07283 269.7828 20.22331 80.87140       28.49387 
1 1 1 -5  -6  27 o 133.7941 20.57864 453.8592       127.4211 353.3601       326.4585 471.9213       138.3987 117.2408 43.60958 135.9366 22.05029 -18.69586      48.86728 
1 1 1 -5  -6  28 o 78.08067 24.87123 155.2176       104.5543 8.258032       204.0061 207.5690       121.7611 72.38717 31.50802 88.82567 26.59743 -16.43850      41.23322 
1 1 1 -5  -6  29 o 218.4767 13.21941 1170.006       137.4323 1766.915       229.7713 837.5046       171.4899 265.8622 18.18671 181.7027 20.07533 84.15952       27.08829 
1 1 1 -5  -6  30 o 230.1768 14.04880 1305.470       153.8635 1365.981       252.3922 1269.681       194.1021 229.6591 23.30963 224.7260 18.22249 4.933105       29.58712 
1 1 1 -5  -6  31 o 80.10899 23.28469 172.0628       94.47622 243.1923       193.7560 149.8761       108.2122 94.10261 33.81581 75.90603 25.37716 18.19658       42.27895 
1 1 1 -5  -6  32 f 114.8507 21.69479 354.2708       114.7589 362.3293       334.8510 353.1983       122.1569 106.5881 42.88221 113.7910 23.24091 -7.202988      48.77524 
1 1 1 -5  -6  33 o 136.2422 18.01814 483.8216       114.4883 289.8274       214.6035 560.9997       135.3597 96.59456 35.45978 145.5266 19.98239 -48.93207      40.70248 
1 1 1 -5  -6  34 o 68.92660 24.40211 128.8101       100.5263 -28.33379      226.2485 167.4642       112.2109 66.31605 30.60361 76.37458 25.84371 -10.05853      40.05593 
1 1 1 -5  -5  1  o 161.8900 7.684336 629.6914       59.30526 608.3891       98.10307 641.9595       74.44891 158.3532 13.07469 163.2355 9.581850 -4.882324      16.20985 
1 1 1 -5  -5  2  o 403.2127 9.041404 3902.307       174.2924 3888.807       406.6234 3905.346       192.9126 398.2444 21.43571 403.1845 10.00802 -4.940186      23.65693 
1 1 1 -5  -5  3  o 251.9666 8.247918 1524.566       99.22248 1506.174       186.8158 1531.793       117.1052 248.9398 15.77797 252.3402 9.725121 -3.400406      18.53436 
1 1 1 -5  -5  4  f 333.5243 13.14426 2685.905       209.1802 2674.081       296.2414 2697.663       295.4114 331.0728 18.79321 332.5832 18.65359 -1.510406      26.47908 
1 1 1 -5  -5  5  o 309.2897 8.866541 2296.731       130.9723 2299.644       151.8082 2288.251       259.0266 309.2535 10.28197 306.7188 17.73996 2.534668       20.50427 
1 1 1 -5  -5  6  o 98.20666 8.951220 233.1746       41.56586 234.9039       61.04298 231.6796       56.75679 97.89725 13.39316 97.37001 12.47874 0.5272446      18.30561 
1 1 1 -5  -5  7  o 377.4422 9.089645 3414.614       164.0234 3484.804       185.8076 3166.821       349.1157 381.0335 10.20900 361.0212 20.30874 20.01233       22.73034 
1 1 1 -5  -5  8  o 399.6471 7.355569 3823.471       140.5404 3769.000       199.3676 3877.277       198.1464 396.3520 10.53053 402.0381 10.31738 -5.686127      14.74247 
1 1 1 -5  -5  9  o 409.3937 15.37543 4033.731       300.4030 3821.030       425.4727 4245.160       424.1981 396.8940 22.51509 418.7283 21.25943 -21.83432      30.96599 
1 1 1 -5  -5  10 o 136.9099 9.890480 451.3316       64.30179 436.1314       93.55528 464.9414       88.52592 133.9495 14.85859 138.5413 13.53799 -4.591797      20.10111 
1 1 1 -5  -5  11 o 472.9638 17.25441 5388.180       389.5004 4944.144       551.3549 5830.550       550.3199 450.9318 25.68096 490.4455 23.53888 -39.51367      34.83663 
1 1 1 -5  -5  12 o 414.5274 15.68034 4135.617       310.1939 3988.204       440.2065 4281.003       437.1702 405.5268 22.79716 420.4401 21.82364 -14.91333      31.55917 
1 1 1 -5  -5  13 o 337.6208 13.86123 2741.412       223.2620 2741.412       223.2620 0.000000       0.000000 337.6208 13.86123 ?        ?        0.000000       13.86123 
1 1 1 -5  -5  14 o 462.3504 17.32340 5154.600       382.2469 4466.728       542.2576 5834.018       538.9154 427.7813 26.64633 490.3186 23.05429 -62.53726      35.23531 
1 1 1 -5  -5  15 o 109.9436 17.00688 297.8372       86.50998 79.64893       177.5482 365.7639       99.06513 78.48316 31.34464 121.9981 17.48389 -43.51490      35.89112 
1 1 1 -5  -5  16 o 504.1647 10.78725 6097.233       260.0108 5646.679       608.1060 6198.032       287.6290 480.2821 26.58719 508.1346 11.83983 -27.85248      29.10430 
1 1 1 -5  -5  17 o 394.0860 15.55428 3749.687       292.4796 3530.660       418.4452 3958.912       408.9745 380.0925 23.13679 403.2220 21.29048 -23.12958      31.44194 
1 1 1 -5  -5  18 o 97.11755 24.89606 239.8026       116.1238 90.98640       202.2223 313.0172       141.8413 82.98415 33.34600 110.6593 27.04343 -27.67511      42.93370 
1 1 1 -5  -5  19 o 225.2699 12.62269 1225.837       135.4013 1402.136       221.2860 1120.327       171.1888 239.3197 19.50959 214.4395 16.83274 24.88022       25.76753 
1 1 1 -5  -5  20 o 287.7871 13.10852 2002.127       179.8835 2012.360       264.4224 1993.311       245.4259 286.6354 19.41016 285.7302 18.05857 0.9052124      26.51162 
1 1 1 -5  -5  21 o 241.6458 11.98895 1411.336       138.0735 1627.660       222.8128 1276.480       175.9232 257.7708 18.19693 228.7320 16.19213 29.03880       24.35802 
1 1 1 -5  -5  22 o 372.0933 14.59962 3360.253       259.2138 3744.794       378.6487 3021.095       355.6031 390.1021 20.37312 349.7755 21.36707 40.32660       29.52314 
1 1 1 -5  -5  23 o 381.2899 15.29249 3536.982       278.2018 3642.394       405.5008 3443.243       382.3891 383.2646 22.22551 373.0190 21.53357 10.24557       30.94621 
1 1 1 -5  -5  24 o 216.9897 14.87163 1149.178       153.3460 926.1429       295.4851 1231.387       179.3948 186.4955 34.40779 224.0020 16.87543 -37.50648      38.32331 
1 1 1 -5  -5  25 o 460.4051 13.64133 5149.415       299.9341 5612.077       382.6281 4412.023       483.0527 478.7371 16.74328 418.9661 24.21934 59.77103       29.44340 
1 1 1 -5  -5  26 o 188.7208 15.87194 876.2219       141.8791 628.6571       309.4268 942.1266       159.6510 148.2612 41.83998 195.2333 17.28280 -46.97209      45.26897 
1 1 1 -5  -5  27 o 136.8084 16.56714 464.8393       106.1550 569.6154       197.6425 422.3581       125.8484 146.5814 29.22866 128.8111 21.17035 17.77032       36.09014 
1 1 1 -5  -5  28 o 69.18429 23.48952 114.6552       92.70425 -28.66869      197.4689 155.1730       104.9935 68.56633 30.37931 78.28490 24.92195 -9.718567      39.29384 
1 1 1 -5  -5  29 o 227.9321 14.61112 1279.016       158.3814 1261.953       266.7041 1288.312       196.8503 219.8317 25.87122 226.9165 18.30030 -7.084793      31.68944 
1 1 1 -5  -5  30 o 283.0589 15.16997 1980.349       204.5411 1583.698       305.5219 2302.535       275.3541 244.9253 26.51385 302.3903 19.14480 -57.46495      32.70332 
1 1 1 -5  -5  31 o 213.1421 17.65525 1144.853       178.2958 956.3596       350.0514 1210.884       207.1848 174.6056 42.36955 217.5867 20.14539 -42.98109      46.91499 
1 1 1 -5  -5  32 o 143.5480 20.24192 539.5969       135.0657 427.6254       231.1394 597.6559       166.4389 116.5583 36.96240 148.5204 24.27816 -31.96214      44.22271 
1 1 1 -5  -5  33 o 194.1051 17.00307 965.3945       156.1957 898.9791       256.0395 1004.762       197.1256 173.6168 32.02617 194.1961 21.59707 -20.57930      38.62783 
1 1 1 -5  -5  34 o 156.4835 24.76101 692.2021       179.0869 667.6217       245.6026 720.1096       261.6971 141.0577 36.23077 145.1563 37.45892 -4.098587      52.11372 
1 1 1 -5  -5  35 o 69.56029 31.16144 56.22535       213.7680 -636.2225      386.6232 361.1242       256.5502 60.71646 30.47409 97.65977 38.08525 -36.94330      48.77660 
1 1 1 -5  -4  1  o 138.9529 8.669545 464.7814       57.30641 458.3375       81.04403 471.2251       81.04298 137.4694 12.46665 139.4329 12.28287 -1.963455      17.50103 
1 1 1 -5  -4  2  o 191.3497 7.668802 879.0283       70.01371 933.6113       86.94412 778.3413       118.0859 197.0216 9.256225 179.1243 13.89773 17.89731       16.69805 
1 1 1 -5  -4  3  o 100.1064 7.734481 241.6787       36.73012 253.7340       56.89692 233.0650       48.09412 101.9969 11.89067 97.93448 10.43223 4.062424       15.81832 
1 1 1 -5  -4  4  o 454.4995 7.243817 4951.367       157.4016 5058.850       224.1285 4846.768       221.1015 458.7904 10.21820 449.0514 10.29881 9.739014       14.50783 
1 1 1 -5  -4  5  o 144.4934 8.143425 502.3160       56.02762 594.1998       89.69240 443.5199       71.74809 156.6370 12.07016 135.3358 11.18881 21.30124       16.45838 
1 1 1 -5  -4  6  o 317.2433 7.183777 2411.499       108.9566 2480.196       156.0023 2346.074       152.2424 321.1920 10.17199 312.3716 10.20797 8.820404       14.41083 
1 1 1 -5  -4  7  o 282.5408 8.942859 1916.109       120.6476 1914.473       142.8907 1920.172       225.1660 282.1851 10.61050 281.3913 16.81392 0.7937622      19.88191 
1 1 1 -5  -4  8  o 350.5807 13.56820 2959.429       226.9854 3058.087       321.7701 2861.702       320.2471 355.1592 19.01959 343.3863 19.58841 11.77289       27.30294 
1 1 1 -5  -4  9  o 367.2963 14.00982 3245.891       245.5616 3399.757       347.9603 3093.229       346.5968 374.7948 19.48596 357.2440 20.37776 17.55081       28.19495 
1 1 1 -5  -4  10 o 331.5191 9.266028 2634.342       146.7183 2701.124       171.4453 2451.610       283.5956 335.5480 10.70085 318.4582 18.70924 17.08975       21.55328 
1 1 1 -5  -4  11 o 445.8087 9.834890 4760.729       209.6170 4892.565       495.0424 4731.927       231.3837 449.2689 23.12552 444.3542 10.89169 4.914764       25.56206 
1 1 1 -5  -4  12 o 356.5490 9.664612 3047.301       164.5930 3145.014       338.5894 3017.066       188.3440 360.6748 19.71075 354.6157 11.12302 6.059143       22.63261 
1 1 1 -5  -4  13 o 542.9480 8.511828 7058.443       220.9477 7257.681       324.9753 6887.177       301.3004 550.0573 12.35760 535.9207 11.75955 14.13660       17.05865 
1 1 1 -5  -4  14 o 253.4656 12.63554 1545.370       152.6334 1333.839       224.0534 1728.548       208.4975 234.2353 20.20471 267.5601 16.37785 -33.32477      26.00893 
1 1 1 -5  -4  15 o 384.6561 12.77871 3555.610       234.6738 3228.286       279.5590 4336.596       431.8236 365.9433 16.01786 422.9166 21.42697 -56.97327      26.75232 
1 1 1 -5  -4  16 o 404.8730 10.68316 3933.817       206.6080 3717.071       421.2326 4002.479       237.0853 390.8831 22.63752 408.1585 12.16332 -17.27545      25.69832 
1 1 1 -5  -4  17 o 155.0423 12.64146 581.3989       92.89095 601.1487       145.3177 567.7532       120.7916 156.3644 19.88834 152.5047 16.84757 3.859756       26.06505 
1 1 1 -5  -4  18 o 261.5390 12.67507 1649.026       158.0157 1602.507       231.9678 1689.300       215.8387 256.4530 19.05576 263.7948 17.20805 -7.341827      25.67565 
1 1 1 -5  -4  19 o 126.2183 16.90913 392.2338       99.47109 640.9368       139.0511 131.5763       142.3538 161.5579 18.32607 79.47870 28.92685 82.07918       34.24336 
1 1 1 -5  -4  20 o 312.0800 13.41540 2353.905       199.6928 2583.003       295.1974 2160.614       271.1492 325.1617 19.07287 297.2585 19.18184 27.90320       27.05028 
1 1 1 -5  -4  21 o 269.6774 12.89120 1759.306       165.7245 1967.731       251.5990 1599.577       220.2557 283.4467 18.67043 255.6176 18.14091 27.82912       26.03224 
1 1 1 -5  -4  22 o 100.2848 18.28595 252.7412       84.44274 404.6547       160.6615 194.7571       99.25853 124.8425 27.64759 87.22637 23.34296 37.61613       36.18402 
1 1 1 -5  -4  23 o 314.3628 13.65909 2396.677       204.7970 2771.020       310.0331 2106.884       272.7830 335.6771 19.40137 292.4631 19.62268 43.21396       27.59461 
1 1 1 -5  -4  24 o 47.33508 21.53252 -59.19333      106.7291 -25.84586      152.6860 -91.05604      149.2482 61.29316 26.95330 54.91353 25.16320 6.379627       36.87366 
1 1 1 -5  -4  25 o 151.3947 18.76601 571.3127       132.9225 967.6420       211.5428 312.7458       170.8664 195.8559 23.03165 108.5934 31.23924 87.26250       38.81169 
1 1 1 -5  -4  26 o 165.5725 20.09290 687.5298       155.8008 399.4728       304.3968 789.7805       181.3569 121.7621 42.51456 176.8622 21.91681 -55.10017      47.83131 
1 1 1 -5  -4  27 o 138.7732 16.29408 477.6782       106.0475 875.3619       195.3131 311.4258       126.2834 185.8980 22.42874 109.0833 24.78063 76.81466       33.42347 
1 1 1 -5  -4  28 o 156.2083 16.43434 604.9730       120.8975 148.7484       213.4535 820.4528       146.6956 87.77900 34.58790 181.9156 17.06633 -94.13656      38.56919 
1 1 1 -5  -4  29 o 206.8056 15.00377 1054.861       147.3355 1110.528       257.8837 1027.886       179.5191 205.5718 26.88276 202.3936 18.76635 3.178177       32.78503 
1 1 1 -5  -4  30 o 78.66829 28.13994 150.0657       134.0049 279.7639       343.1568 126.7285       145.5625 107.2362 43.31595 76.29790 28.96120 30.93834       52.10588 
1 1 1 -5  -4  31 o 115.2083 24.08331 354.8305       128.3732 225.6246       214.4052 427.0341       160.2777 93.93465 35.26042 124.8159 27.59365 -30.88129      44.77396 
1 1 1 -5  -4  32 o 156.9862 19.06406 635.8817       140.1529 994.3761       233.8579 434.9540       175.0776 190.9789 26.31133 122.8982 30.05181 68.08070       39.94243 
1 1 1 -5  -4  33 o 80.38380 33.25021 139.5473       208.2315 -364.6269      360.8388 391.2757       254.9700 69.03189 33.66077 108.7532 38.82538 -39.72134      51.38539 
1 1 1 -5  -4  34 o 134.9027 28.48047 537.5887       177.9112 463.3088       238.3197 631.0958       267.3910 115.8099 37.61221 134.0603 39.23135 -18.25040      54.34866 
1 1 1 -5  -4  35 o 71.03093 27.37745 135.6624       131.3957 100.0628       224.9893 154.0889       161.8677 73.97800 32.61773 75.09634 29.94965 -1.118332      44.28203 
1 1 1 -5  -3  1  o 111.9992 7.541365 301.8620       40.14524 302.4558       52.66326 301.0384       62.02690 111.8341 9.953647 111.3032 11.83777 0.5308609      15.46634 
1 1 1 -5  -3  2  o 292.4229 8.542279 2052.080       119.2965 2035.757       137.8216 2100.848       238.2312 291.0594 9.918874 294.2022 17.00983 -3.142883      19.69057 
1 1 1 -5  -3  3  o 103.7930 8.462874 260.0909       41.63049 245.1148       59.62722 274.3338       58.14939 100.0904 12.74975 106.1634 11.64781 -6.073036      17.26926 
1 1 1 -5  -3  4  o 152.2497 7.884785 557.3092       57.19688 561.8216       93.05392 554.5691       72.51225 152.1369 12.91553 151.6001 10.06162 0.5368042      16.37214 
1 1 1 -5  -3  5  o 362.6098 13.85008 3178.965       239.6630 3301.904       339.3616 3056.643       338.5094 367.5999 19.37830 353.3460 20.12153 14.25391       27.93554 
1 1 1 -5  -3  6  o 238.1147 10.78021 1365.896       122.4035 1386.527       173.6635 1345.528       172.5513 238.9879 15.27936 235.3810 15.41829 3.606903       21.70673 
1 1 1 -5  -3  7  o 98.84171 8.963623 236.2547       41.89759 275.0050       59.87638 199.0792       58.64704 106.2664 11.99496 89.81552 14.12371 16.45089       18.52993 
1 1 1 -5  -3  8  o 88.24632 10.27066 189.3450       42.52264 175.1638       66.91837 198.9492       55.07045 83.65226 17.30375 90.01767 13.18725 -6.365410      21.75599 
1 1 1 -5  -3  9  o 144.9638 9.278775 505.6217       63.96942 526.9299       90.69612 484.5281       90.23846 147.5518 12.98935 141.3677 13.51597 6.184174       18.74579 
1 1 1 -5  -3  10 o 838.3698 11.29021 16852.74       452.5284 17014.24       474.7214 15245.63       1497.540 842.2617 11.78918 782.7623 40.15074 59.49939       41.84575 
1 1 1 -5  -3  11 o 271.3756 11.78387 1769.076       152.5213 1760.406       216.8825 1777.559       214.5323 270.0153 16.88523 271.3753 16.61501 -1.360016      23.68902 
1 1 1 -5  -3  12 o 131.0746 10.10326 414.0313       62.82411 503.3545       92.10838 336.3280       85.90868 144.1988 13.51831 117.2731 15.71793 26.92571       20.73158 
1 1 1 -5  -3  13 o 508.9340 18.21657 6245.817       442.5224 6292.782       627.1168 6199.239       624.5336 508.6133 25.87508 504.7787 25.96620 3.834564       36.65738 
1 1 1 -5  -3  14 o 500.7445 8.727266 6004.743       208.9309 6295.681       309.9869 5762.560       282.8237 512.2224 12.65833 490.1394 12.06946 22.08298       17.49014 
1 1 1 -5  -3  15 f 1055.901 36.07624 27559.08       1818.504 27277.14       2573.300 27840.34       2570.209 1031.963 52.32843 1043.433 51.68319 -11.46960      73.54873 
1 1 1 -5  -3  16 o 629.3290 11.22361 9500.383       337.6903 9096.321       916.0039 9563.936       363.2775 607.7798 31.63297 631.2662 12.03698 -23.48633      33.84573 
1 1 1 -5  -3  17 o 180.4731 13.11743 786.8542       112.4074 472.0683       173.4470 1014.809       147.5990 136.6030 27.51067 204.7487 15.18647 -68.14566      31.42397 
1 1 1 -5  -3  18 o 188.9661 12.82252 862.6840       115.1557 806.3781       179.5499 902.0291       150.0905 180.9990 21.14724 192.6048 16.45717 -11.60577      26.79635 
1 1 1 -5  -3  19 o 321.6567 11.43980 2490.288       175.6416 2761.927       318.4936 2371.571       210.5532 336.4939 19.88639 313.3277 14.09184 23.16626       24.37311 
1 1 1 -5  -3  20 o 372.6625 11.37594 3344.254       202.4429 3927.912       399.1661 3142.141       234.8936 400.5036 20.91929 360.6325 13.64842 39.87109       24.97791 
1 1 1 -5  -3  21 o 77.27412 24.55148 146.0318       101.9371 187.0028       141.3152 101.5863       147.1856 87.79810 28.98948 75.40657 28.99875 12.39153       41.00387 
1 1 1 -5  -3  22 o 354.7119 9.968407 3029.176       168.8803 3722.471       308.1261 2731.482       201.9083 390.8779 16.52570 336.1015 12.58762 54.77640       20.77371 
1 1 1 -5  -3  23 o 55.48451 21.82397 46.22927       84.84838 -145.7771      254.7153 70.19401       89.98779 71.30181 32.74691 60.79775 22.83887 10.50406       39.92461 
1 1 1 -5  -3  24 o 109.5096 18.31144 301.0777       92.48776 366.6436       168.8136 272.9565       110.5567 117.8034 29.92118 102.9598 23.03675 14.84361       37.76200 
1 1 1 -5  -3  25 o 367.4974 12.02653 3269.236       211.0172 3736.233       400.7835 3090.125       248.2064 387.5385 21.71839 356.2206 14.60520 31.31784       26.17252 
1 1 1 -5  -3  26 o 90.88081 27.20143 214.3390       127.3742 104.8185       187.4704 308.2495       173.5970 80.33385 32.16644 107.4766 31.65359 -27.14274      45.12904 
1 1 1 -5  -3  27 o 94.97454 30.50575 234.0540       157.0452 509.0600       319.9809 146.7904       180.2476 133.3620 43.60087 84.20545 32.16406 49.15653       54.18084 
1 1 1 -5  -3  28 o 133.8921 22.84982 461.2327       141.0219 447.8644       210.6796 472.0847       189.8181 127.4434 33.96442 132.2070 30.63218 -4.763634      45.73742 
1 1 1 -5  -3  29 o 139.6529 17.94744 490.3975       117.0617 777.2803       225.2107 384.1937       137.0272 170.7840 28.59233 120.8029 24.56352 49.98112       37.69466 
1 1 1 -5  -3  30 o 48.62764 21.79228 -34.18878      104.6542 -405.4785      368.0831 -1.534278      109.1593 72.60446 35.07031 53.35051 23.13627 19.25395       42.01445 
1 1 1 -5  -3  31 o 345.0036 16.00774 2958.208       263.3155 2989.102       390.1434 2932.361       356.8488 338.5958 24.26176 337.5951 22.23330 1.000763       32.90825 
1 1 1 -5  -3  32 o 75.52141 30.09875 116.6455       163.3737 -90.14994      210.1385 432.6408       259.7619 63.89312 29.48849 117.3063 39.31968 -53.41318      49.14884 
1 1 1 -5  -3  33 o 135.7005 33.74600 567.2566       218.0144 719.3378       366.7520 484.1485       271.1166 136.8151 46.71602 119.0744 40.17158 17.74071       61.61284 
1 1 1 -5  -3  34 o 132.7651 23.42756 487.9242       143.2689 440.2749       231.8696 517.3502       182.2138 113.9866 37.10553 131.5082 29.68733 -17.52163      47.52007 
1 1 1 -5  -3  35 f 65.43562 26.89193 90.39684       135.0371 39.04390       222.3066 120.4246       169.9930 69.59013 31.42393 72.01089 29.93711 -2.420769      43.40154 
1 1 1 -5  -2  1  o 87.80193 7.408375 185.9756       30.80832 187.6946       48.24802 184.7921       40.03222 87.59892 11.82202 87.22516 9.767272 0.3737564      15.33492 
1 1 1 -5  -2  2  o 216.8908 14.47400 1139.158       149.2263 0.000000       0.000000 1139.158       149.2263 ?        ?        216.8908 14.47400 0.000000       14.47400 
1 1 1 -5  -2  3  o 170.7634 6.779562 699.6349       55.23834 764.4157       80.03082 640.6951       76.33761 178.2110 9.426749 163.0561 9.838255 15.15483       13.62552 
1 1 1 -5  -2  4  o 39.28645 10.66253 38.32032       20.53449 46.14398       27.53971 28.52443       30.81600 43.32875 12.56498 37.49841 13.48456 5.830334       18.43128 
1 1 1 -5  -2  5  o 438.0802 9.401740 4609.095       196.9111 4608.853       216.6538 4610.243       472.1297 437.8524 10.34976 432.6285 22.90807 5.223938       25.13757 
1 1 1 -5  -2  6  o 174.5329 8.396942 732.4355       69.86038 743.9991       90.22523 715.1245       110.3932 175.5769 10.80088 171.6467 13.56249 3.930191       17.33783 
1 1 1 -5  -2  7  o 143.4963 8.994700 495.9273       61.39680 573.6600       88.03487 422.3151       85.66979 153.9487 12.05721 131.6492 13.81700 22.29951       18.33809 
1 1 1 -5  -2  8  o 59.25042 11.07426 87.00934       30.21689 101.7425       45.22271 75.12609       40.61410 63.70749 15.08275 54.95874 15.02823 8.748745       21.29171 
1 1 1 -5  -2  9  o 31.94016 12.11162 17.27588       25.44230 42.76915       39.36976 -1.005557      33.33920 44.32338 15.30009 30.39751 12.97823 13.92587       20.06308 
1 1 1 -5  -2  10 o 808.7325 8.522817 15663.01       329.5311 15730.59       470.0518 15597.69       462.1045 809.7209 12.14233 806.3309 11.98722 3.390076       17.06252 
1 1 1 -5  -2  11 o 286.2505 12.11150 1968.591       165.3751 1976.176       235.1632 1961.170       232.6091 286.0639 17.27534 284.9925 17.15139 1.071442       24.34354 
1 1 1 -5  -2  12 o 237.2419 11.25879 1352.191       127.3358 1254.584       181.7990 1446.191       178.4088 227.7775 16.81297 244.8632 15.31670 -17.08571      22.74373 
1 1 1 -5  -2  13 o 444.8528 10.07426 4741.459       214.2584 4752.623       491.5500 4738.841       238.0641 442.5726 23.31360 444.4678 11.21223 -1.895203      25.86963 
1 1 1 -5  -2  14 o 314.0485 12.18135 2369.465       182.5476 2401.117       242.9635 2328.437       276.6216 315.5466 16.15912 310.2529 18.73659 5.293732       24.74222 
1 1 1 -5  -2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  -2  16 o 472.2428 13.06252 5360.089       294.6342 5202.918       342.2770 5809.725       578.9255 464.7637 15.42550 488.2436 24.88355 -23.47983      29.27691 
1 1 1 -5  -2  17 o 302.7767 13.91940 2209.166       200.9500 2030.590       295.4401 2362.906       274.1276 288.6072 21.56780 312.2274 18.44646 -23.62024      28.38030 
1 1 1 -5  -2  18 o 151.7257 14.13398 559.0144       101.3463 441.9579       160.1078 637.2712       130.9109 132.1247 26.27187 161.5162 17.21836 -29.39148      31.41151 
1 1 1 -5  -2  19 o 200.6080 13.26515 973.3584       126.5099 821.1781       195.0968 1083.777       166.1848 181.9773 22.93278 211.0591 16.60303 -29.08180      28.31207 
1 1 1 -5  -2  20 o 426.8307 15.70180 4413.727       319.8693 5184.336       460.7704 3696.899       444.4006 460.2739 20.99447 387.0478 24.13618 73.22614       31.98942 
1 1 1 -5  -2  21 o 119.3932 19.10196 355.9330       105.3611 581.3879       246.6706 305.6215       116.5256 148.0370 35.34306 109.5096 22.99018 38.52733       42.16254 
1 1 1 -5  -2  22 o 411.1643 16.05564 4114.101       315.0038 4250.458       454.3710 3987.914       437.0963 414.0891 23.04222 401.1575 22.88545 12.93161       32.47596 
1 1 1 -5  -2  23 o 110.4409 19.00579 306.6395       96.73264 485.7044       174.7959 227.5909       116.1377 136.8099 27.67599 93.90135 25.30305 42.90855       37.49939 
1 1 1 -5  -2  24 o 74.96432 23.14775 140.2085       91.27254 11.89491       172.6575 189.9730       107.5249 68.75990 29.45006 86.10201 24.78527 -17.34211      38.49176 
1 1 1 -5  -2  25 o 352.9171 14.83114 3034.805       249.6815 3363.823       370.5593 2761.225       337.9019 368.0475 21.14842 333.2477 21.32058 34.79980       30.03037 
1 1 1 -5  -2  26 o 100.6322 21.82190 261.2169       101.9575 262.3116       187.7295 260.7589       121.4267 100.7447 33.41842 99.74251 25.39956 1.002197       41.97532 
1 1 1 -5  -2  27 o 42.39743 20.54958 -202.1900      129.1340 -459.9294      185.1030 42.18483       180.2401 43.70678 21.80922 72.33292 30.49827 -28.62613      37.49382 
1 1 1 -5  -2  28 o 56.97676 25.22887 -28.57543      135.9829 -113.9408      195.8460 50.88988       188.9568 62.09746 28.59063 74.42061 31.29404 -12.32315      42.38798 
1 1 1 -5  -2  29 f 44.59513 20.49236 -64.23756      99.93234 236.5715       210.5503 -151.7037      113.5352 97.07227 35.20173 41.35708 19.84896 55.71518       40.41217 
1 1 1 -5  -2  30 o 113.2495 24.27334 341.0521       127.4736 385.9669       366.3204 334.8639       135.9718 117.1114 45.55524 111.4827 25.99228 5.628700       52.44882 
1 1 1 -5  -2  31 o 307.3920 15.64538 2346.322       229.1693 2307.320       338.1645 2379.446       311.6459 297.4923 23.97929 304.5519 21.54287 -7.059631      32.23510 
1 1 1 -5  -2  32 o 160.9601 24.19637 692.2189       180.4426 758.1124       234.5272 596.6250       282.4797 163.2309 31.18940 136.5942 40.41694 26.63675       51.05201 
1 1 1 -5  -2  33 o 133.6143 23.28223 486.1985       143.3228 603.2258       229.0303 410.8727       183.7475 139.4309 34.53831 116.3696 32.02346 23.06128       47.09986 
1 1 1 -5  -2  34 o 167.8217 19.95518 747.5516       156.9762 817.1779       248.6019 701.3828       202.4382 162.5443 33.11633 155.1667 28.33253 7.377563       43.58238 
1 1 1 -5  -2  35 o 57.86815 26.32328 -18.61974      159.4915 321.0266       380.4372 -91.04337      175.6748 94.31343 41.95526 55.26210 25.98347 39.05133       49.34962 
1 1 1 -5  -1  1  o 210.7902 6.767804 1065.216       68.11510 1031.600       96.92433 1098.019       95.74508 207.1002 9.817072 213.7317 9.392931 -6.631439      13.58683 
1 1 1 -5  -1  2  o 155.4275 6.833488 579.7827       50.65425 583.0628       72.77835 576.7009       70.54567 155.5374 9.837618 154.7154 9.584426 0.8219452      13.73463 
1 1 1 -5  -1  3  o 60.78243 8.587185 90.37064       24.25955 123.8778       35.82492 61.99270       32.96909 70.97363 10.90640 49.87799 13.49928 21.09565       17.35455 
1 1 1 -5  -1  4  o 300.8006 8.589279 2172.861       123.3954 2194.718       143.0121 2109.181       244.1101 302.0812 9.915840 294.2576 17.43009 7.823578       20.05323 
1 1 1 -5  -1  5  o 287.8460 8.514375 1989.911       117.0425 1902.150       229.4892 2020.764       136.0696 279.3881 17.26525 289.8456 9.833666 -10.45752      19.86932 
1 1 1 -5  -1  6  o 223.1467 10.55653 1199.630       112.3018 1113.693       159.3301 1284.473       158.3122 213.9688 15.68436 230.1543 14.46064 -16.18546      21.33329 
1 1 1 -5  -1  7  o 384.4372 9.278943 3546.379       170.5424 3696.923       381.5197 3508.786       190.6503 389.1080 20.58191 382.0591 10.44735 7.048889       23.08165 
1 1 1 -5  -1  8  o 415.3977 9.473644 4138.421       188.1436 4186.924       210.3903 3944.774       420.3880 417.5292 10.54820 402.1234 21.94990 15.40582       24.35288 
1 1 1 -5  -1  9  o 130.8400 9.413371 412.4074       58.49001 414.6226       85.39890 410.4502       80.27353 130.6024 13.88987 130.0582 13.08776 0.5441742      19.08449 
1 1 1 -5  -1  10 o 255.3114 11.32556 1566.211       137.8973 1605.142       196.7958 1528.658       193.2841 257.8142 16.04571 251.5551 16.15687 6.259125       22.77079 
1 1 1 -5  -1  11 o 90.71535 11.97335 200.7386       50.66172 276.0574       70.62879 120.9167       72.70950 106.2853 14.25892 70.12951 20.43939 36.15584       24.92158 
1 1 1 -5  -1  12 o 369.5321 14.00212 3283.156       246.9266 3577.364       351.4712 2996.409       346.9858 384.8115 19.16471 351.7742 20.72372 33.03729       28.22691 
1 1 1 -5  -1  13 o 607.6768 10.56110 8849.934       306.8245 8322.771       848.5862 8929.217       329.0892 583.0656 30.54836 610.2825 11.27910 -27.21698      32.56409 
1 1 1 -5  -1  14 f 287.7843 12.21384 1990.440       167.6637 2194.265       241.6926 1801.366       232.7829 301.4820 16.83534 272.8762 17.94294 28.60583       24.60443 
1 1 1 -5  -1  15 o 403.5585 12.70508 3913.055       244.8221 3916.072       300.7456 3907.130       421.5299 403.1862 15.63180 401.1985 22.06153 1.987701       27.03820 
1 1 1 -5  -1  16 o 370.1487 15.23997 3301.865       269.1155 3050.826       386.8900 3537.185       374.5821 353.9314 22.98879 381.8801 20.59307 -27.94870      30.86356 
1 1 1 -5  -1  17 o 385.4927 15.51547 3584.873       285.3654 3479.896       409.7545 3683.741       397.6530 377.8141 22.79089 389.1847 21.45476 -11.37051      31.30066 
1 1 1 -5  -1  18 o 131.5439 18.81959 427.1844       114.9871 451.5605       246.7952 420.4256       129.9545 132.1293 37.39354 129.8307 21.70199 2.298630       43.23486 
1 1 1 -5  -1  19 o 144.0969 15.73655 507.4129       106.6506 492.5280       172.2047 516.6747       135.8373 139.2207 26.84519 144.4230 20.22701 -5.202316      33.61244 
1 1 1 -5  -1  20 o 170.0457 14.22758 702.9062       114.6065 1076.848       184.7708 469.0825       146.1085 209.6555 18.62768 136.5134 23.21725 73.14206       29.76627 
1 1 1 -5  -1  21 o 396.1077 13.28620 3793.006       251.2507 4101.575       328.2943 3356.750       390.3541 410.5807 16.75986 368.8860 22.23717 41.69467       27.84572 
1 1 1 -5  -1  22 o 155.9772 15.39602 595.9958       113.3139 502.3637       183.5640 653.6415       144.0317 139.0658 28.56604 162.4649 18.89561 -23.39911      34.25001 
1 1 1 -5  -1  23 o 217.7766 14.83163 1156.250       153.5002 1349.121       225.3254 989.2291       209.6820 233.3751 20.40004 198.8202 22.45159 34.55484       30.33539 
1 1 1 -5  -1  24 o 136.9251 21.40334 473.4196       135.5274 342.1036       186.0558 621.8566       197.8134 113.5161 32.58039 154.8989 27.72982 -41.38280      42.78346 
1 1 1 -5  -1  25 o 121.2091 19.55304 370.3383       109.4525 654.5806       197.3924 244.1452       131.5237 159.0416 26.91981 96.71215 27.27310 62.32943       38.32099 
1 1 1 -5  -1  26 o 88.17900 26.00020 201.5183       117.0684 243.4841       315.3022 194.8080       126.0811 106.6576 42.03413 87.18944 27.25197 19.46816       50.09529 
1 1 1 -5  -1  27 o 229.8211 14.40694 1292.992       157.4997 1644.184       251.4739 1066.318       202.0322 256.1999 20.70709 205.9681 20.80169 50.23177       29.35122 
1 1 1 -5  -1  28 o 111.5697 32.08250 338.4980       180.2499 475.4526       330.0830 280.3056       215.1630 128.8920 44.30983 103.6246 35.76825 25.26741       56.94496 
1 1 1 -5  -1  29 f 169.0533 16.87973 711.6513       134.6042 720.8834       225.7064 706.5555       167.6870 163.5914 29.96241 166.3884 21.58833 -2.797028      36.92969 
1 1 1 -5  -1  30 o 182.0931 16.98274 829.7457       146.1411 705.9164       250.0913 893.9542       180.0874 157.6687 34.16622 187.2390 20.44980 -29.57028      39.81865 
1 1 1 -5  -1  31 o 163.6975 17.49388 676.6401       134.7906 763.8243       227.3156 629.3618       167.3946 166.4148 29.65895 154.7036 23.35962 11.71126       37.75348 
1 1 1 -5  -1  32 o 80.89418 29.95139 163.1544       153.6638 423.1173       209.3151 -140.7228      226.3049 118.8343 34.69224 63.44921 29.72403 55.38505       45.68446 
1 1 1 -5  -1  33 o 54.23206 23.56562 9.010809       113.7151 345.6216       212.8425 -125.4547      134.5240 104.7360 35.59167 46.96339 22.27758 57.77264       41.98877 
1 1 1 -5  -1  34 o 84.22225 26.94332 205.3896       122.5979 310.3383       221.8817 159.2684       147.0901 97.84754 36.03296 77.19900 29.15601 20.64854       46.35135 
1 1 1 -5  -1  35 o 99.59506 32.73395 332.7618       180.2536 405.2711       230.2888 218.0714       289.6274 105.1880 36.96038 86.24922 37.54197 18.93875       52.68272 
1 1 1 -5  0   1  o 169.2806 6.677726 687.5264       53.93754 700.0422       76.91474 675.4160       75.65915 170.5032 9.472819 167.4660 9.488708 3.037216       13.40783 
1 1 1 -5  0   2  o 159.2865 6.903145 609.0891       52.44475 570.7441       75.15206 645.4894       73.22176 153.7742 10.28138 163.6980 9.395426 -9.923874      13.92770 
1 1 1 -5  0   3  o 349.2694 7.094382 2923.709       118.4632 2683.098       168.7103 3157.715       166.3786 333.8913 10.58222 362.4577 9.609816 -28.56641      14.29447 
1 1 1 -5  0   4  o 247.3087 8.251900 1468.980       97.43008 1384.342       180.8153 1503.609       115.6564 238.5177 15.94810 249.9865 9.695472 -11.46883      18.66398 
1 1 1 -5  0   5  o 307.3845 12.52642 2280.578       183.6988 2242.121       260.4962 2318.620       259.0882 303.2116 18.05168 308.4943 17.64032 -5.282654      25.23973 
1 1 1 -5  0   6  o 278.6495 8.799235 1864.700       117.0757 1909.203       139.8692 1760.547       213.9754 281.7008 10.40333 269.1155 16.71342 12.58524       19.68674 
1 1 1 -5  0   7  o 124.8437 9.059615 375.7709       53.70560 458.4175       81.89075 313.3980       71.14105 137.4705 12.59996 113.3161 13.39003 24.15442       18.38619 
1 1 1 -5  0   8  o 339.0639 13.38336 2769.019       216.5215 2774.327       307.4642 2763.797       304.9664 338.0764 19.10036 337.4647 18.97881 0.6116943      26.92617 
1 1 1 -5  0   9  o 360.0527 7.702878 3104.058       132.5951 2974.692       192.8992 3219.932       182.5630 351.9295 11.48015 366.3112 10.43511 -14.38165      15.51404 
1 1 1 -5  0   10 o 419.7929 15.65312 4243.298       313.6051 4212.765       444.8799 4273.456       442.1421 416.6998 22.41363 419.7820 22.10872 -3.082153      31.48279 
1 1 1 -5  0   11 o 134.5117 10.25229 436.0385       65.43426 371.9969       96.69505 490.1402       88.87480 123.2327 16.85342 142.3072 13.21396 -19.07451      21.41604 
1 1 1 -5  0   12 o 474.0304 8.061815 5379.377       182.7037 5343.773       265.4769 5411.415       251.8273 472.0662 11.76293 475.1277 11.08624 -3.061584      16.16388 
1 1 1 -5  0   13 o 343.7462 9.993748 2833.624       164.0641 3128.130       327.6875 2735.103       189.5299 359.6995 19.12385 337.5032 11.76403 22.19632       22.45248 
1 1 1 -5  0   14 o 337.5644 8.771618 2730.930       141.4414 2612.222       211.0906 2827.650       190.5409 329.5666 13.42541 343.1628 11.63075 -13.59619      17.76277 
1 1 1 -5  0   15 o 589.9249 11.57453 8348.535       326.4439 7935.904       815.8602 8427.188       356.2002 568.6504 30.11712 592.5085 12.57452 -23.85809      32.63678 
1 1 1 -5  0   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0   17 o 562.7472 11.99361 7605.791       322.6796 7350.201       758.1443 7662.334       356.5902 546.2649 29.13493 564.5529 13.21163 -18.28802      31.99048 
1 1 1 -5  0   18 o 319.5833 14.61145 2466.565       222.6564 2101.479       323.0934 2796.766       307.2696 292.5849 23.28972 339.1769 19.02520 -46.59201      30.07273 
1 1 1 -5  0   19 o 48.01619 21.01989 -18.76068      91.92241 -308.1255      158.5522 127.7458       112.8178 44.55177 21.84799 75.14471 25.90180 -30.59295      33.88566 
1 1 1 -5  0   20 o 219.3321 13.62761 1165.314       142.1934 1503.352       218.4809 916.9114       187.2876 247.9262 18.56729 192.7146 20.64916 55.21161       27.76926 
1 1 1 -5  0   21 o 289.5465 13.39348 2029.669       184.9021 2332.197       290.5209 1823.687       239.7224 308.1730 19.82368 272.8576 18.48569 35.31537       27.10533 
1 1 1 -5  0   22 o 283.2848 13.47027 1945.852       181.9122 2251.630       284.9741 1735.560       236.3266 302.3585 19.82334 265.7391 18.72135 36.61942       27.26635 
1 1 1 -5  0   23 o 326.1006 14.44241 2584.924       224.6058 2851.955       330.1107 2354.748       306.4845 339.8012 20.41426 308.4109 20.90961 31.39029       29.22249 
1 1 1 -5  0   24 o 422.1244 16.25999 4352.532       327.5339 4955.302       473.1842 3798.067       453.8278 446.3533 22.24404 388.9991 24.52736 57.35419       33.11176 
1 1 1 -5  0   25 o 154.5849 24.65472 612.5302       176.0950 265.2928       301.4319 792.4352       216.9690 108.3593 41.54320 175.2903 26.73479 -66.93101      49.40229 
1 1 1 -5  0   26 o 393.9454 16.07806 3804.699       302.1791 4102.104       440.0760 3539.378       415.6601 403.9916 22.87840 374.8304 23.31041 29.16122       32.66185 
1 1 1 -5  0   27 o 151.6112 20.13037 580.4094       142.3098 814.4766       321.5650 523.4011       158.6965 168.4655 40.43933 142.2043 24.20902 26.26126       47.13190 
1 1 1 -5  0   28 o 132.8176 25.13408 461.4184       153.7544 448.4200       206.7742 477.4939       229.9508 127.3751 33.51020 130.5206 35.78694 -3.145523      49.02691 
1 1 1 -5  0   29 o 133.2570 23.16796 461.6613       142.2446 1020.696       342.0815 344.7929       156.4079 188.0250 39.32106 112.6208 28.90556 75.40422       48.80243 
1 1 1 -5  0   30 o 162.0086 18.46449 664.2053       140.4659 463.5319       236.3408 773.8047       174.6618 125.5389 36.92302 173.3632 21.53622 -47.82427      42.74480 
1 1 1 -5  0   31 o 316.6911 15.58310 2493.075       235.2136 3055.724       404.1566 2204.891       289.2450 340.7545 24.98207 293.4714 20.74917 47.28314       32.47509 
1 1 1 -5  0   32 o 80.01690 26.75483 170.4866       120.2797 199.8873       204.4221 154.9183       148.7546 88.74567 34.16304 79.19850 29.44177 9.547173       45.09913 
1 1 1 -5  0   33 o 72.73863 26.74484 134.6198       122.1585 84.58875       214.5838 158.6080       148.5854 75.77320 32.64790 78.14235 29.34895 -2.369148      43.90041 
1 1 1 -5  0   34 o 111.1022 31.13601 384.0885       171.9805 472.6625       228.1101 267.4305       261.7874 117.9650 36.62248 92.98055 37.73330 24.98448       52.58335 
1 1 1 -5  0   35 o 109.2005 27.23567 363.7431       141.7054 236.0069       235.5128 436.2297       177.4133 86.08016 35.45963 115.6970 31.31566 -29.61687      47.30809 
1 1 1 -5  1   1  o 193.1238 6.752114 894.8041       62.24654 854.3104       88.43471 934.5646       87.63059 188.3066 9.857430 197.0536 9.328197 -8.747009      13.57145 
1 1 1 -5  1   2  o 164.9182 6.827036 652.8948       53.71171 699.5138       76.72198 608.0833       75.21996 170.3954 9.454960 158.7619 9.960299 11.63353       13.73331 
1 1 1 -5  1   3  o 317.0488 6.997601 2409.073       106.0678 2427.091       151.1621 2391.598       148.8693 317.6584 9.965790 315.3403 9.886764 2.318146       14.03799 
1 1 1 -5  1   4  o 131.8987 8.092344 418.8181       50.78407 485.0034       79.87629 373.9129       65.79382 141.4361 11.92365 124.1753 11.20295 17.26076       16.36091 
1 1 1 -5  1   5  o 104.8865 8.516797 265.5866       42.34036 287.2816       63.44664 248.1675       56.85141 108.5388 12.45210 100.8515 12.02777 7.687263       17.31249 
1 1 1 -5  1   6  o 252.0544 8.409472 1524.795       101.1959 1645.542       123.9574 1283.515       175.2249 261.6529 9.927202 229.9601 16.03857 31.69281       18.86227 
1 1 1 -5  1   7  o 204.3374 10.25526 1004.265       99.86481 965.9780       142.2648 1041.457       140.2177 199.6866 15.01176 207.5194 14.21897 -7.832809      20.67685 
1 1 1 -5  1   8  o 684.4131 10.82763 11235.88       354.2910 11273.91       375.8108 10932.06       1062.233 685.4272 11.46831 664.6095 33.53905 20.81769       35.44559 
1 1 1 -5  1   9  o 158.0929 9.729961 601.1324       73.18509 639.2656       105.8314 566.1845       101.3150 162.5720 13.74502 152.8896 14.01658 9.682343       19.63135 
1 1 1 -5  1   10 o 360.7354 14.11015 3129.691       242.8792 2949.816       344.4305 3307.601       342.5435 348.9580 20.73878 369.8706 19.43949 -20.91263      28.42518 
1 1 1 -5  1   11 o 293.1442 12.16198 2064.613       170.0786 2274.270       242.6548 1862.151       238.4551 307.0481 16.59168 277.5014 18.07182 29.54666       24.53313 
1 1 1 -5  1   12 f 107.7092 11.06371 281.0198       56.16291 343.0904       84.74435 232.4050       74.99835 118.5112 15.31464 96.92016 16.79379 21.59109       22.72817 
1 1 1 -5  1   13 o 135.7558 10.94368 444.6818       70.42666 481.8264       105.0936 414.4038       94.88380 140.6599 15.90658 130.3785 15.52692 10.28137       22.22846 
1 1 1 -5  1   14 o 283.2013 10.40927 1925.125       140.6968 2098.487       253.4396 1847.895       169.1574 294.5099 18.08698 277.1595 12.80051 17.35040       22.15834 
1 1 1 -5  1   15 o 150.7867 13.39716 550.4399       95.57496 948.7780       206.9117 442.3973       107.7598 196.6472 22.40775 134.4337 17.15687 62.21356       28.22172 
1 1 1 -5  1   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  1   17 o 446.1300 12.24190 4786.206       260.8603 4300.788       501.8202 4965.946       305.3601 418.8446 25.17656 454.0013 14.08551 -35.15677      28.84892 
1 1 1 -5  1   18 o 335.6348 14.96164 2722.812       239.4757 2353.029       345.6907 3064.008       332.0599 309.4110 23.54600 354.6992 19.65848 -45.28818      30.67360 
1 1 1 -5  1   19 o 142.9889 19.48855 506.1162       129.7624 576.2804       264.5598 483.8892       148.9040 147.6936 37.42709 138.7762 23.26580 8.917404       44.06909 
1 1 1 -5  1   20 o 192.7479 16.37782 907.2377       149.4948 995.9012       200.4394 796.0870       224.4228 200.6339 21.21742 177.0960 27.38942 23.53789       34.64620 
1 1 1 -5  1   21 o 173.7106 15.37470 737.4102       126.3684 421.1967       190.0511 988.0052       169.1868 126.4923 31.53728 200.5771 17.82875 -74.08487      36.22795 
1 1 1 -5  1   22 o 243.3325 15.04952 1442.885       174.2211 1604.096       292.5400 1354.283       216.8760 252.7847 24.51353 234.1815 19.54911 18.60323       31.35412 
1 1 1 -5  1   23 o 262.4691 14.35562 1676.650       179.4535 1706.036       261.9946 1650.677       246.3027 262.1069 21.08544 258.2303 20.10891 3.876617       29.13699 
1 1 1 -5  1   24 o 298.7470 14.16005 2172.382       201.6688 2595.133       299.0167 1819.629       273.1419 324.1122 19.38567 270.2743 21.31086 53.83792       28.80898 
1 1 1 -5  1   25 o 87.33263 26.78522 195.7223       122.4640 495.7833       289.1583 130.1369       135.1868 132.9661 41.22518 77.06950 28.16787 55.89664       49.92939 
1 1 1 -5  1   26 o 162.1697 20.51552 663.1120       155.5063 926.3311       209.9964 343.5133       231.3959 190.6205 23.54251 112.7311 37.08993 77.88940       43.93077 
1 1 1 -5  1   27 o 261.5687 14.97725 1678.479       186.5121 1518.714       281.8740 1802.906       248.7553 243.5905 24.53799 268.7791 19.49078 -25.18861      31.33693 
1 1 1 -5  1   28 o 190.1672 18.38165 903.2408       165.0392 1042.049       338.5399 859.9673       189.0221 192.0372 38.21821 183.8751 21.93412 8.162079       44.06515 
1 1 1 -5  1   29 o 75.76538 26.49542 138.9857       118.2513 119.4297       201.9075 149.1958       145.8903 82.22733 33.22173 79.95595 29.25557 2.271378       44.26705 
1 1 1 -5  1   30 o 166.5017 18.31641 701.6117       143.3979 1106.211       236.1512 465.2844       180.4822 205.3520 24.53889 129.3917 29.79192 75.96031       38.59683 
1 1 1 -5  1   31 o 277.1616 16.47135 1922.023       217.2739 2142.281       323.9746 1741.978       292.9116 285.7907 23.93078 257.4271 24.07925 28.36365       33.94838 
1 1 1 -5  1   32 o 183.0049 17.89736 854.9596       154.5891 742.8980       246.4630 927.6408       198.4880 158.5911 33.55470 187.2758 22.62707 -28.68468      40.47101 
1 1 1 -5  1   33 o 101.1135 36.00480 326.5733       219.1317 293.6871       375.7841 343.5180       269.7413 99.50172 43.03915 102.2766 39.27650 -2.774857      58.26674 
1 1 1 -5  1   34 f 99.79556 28.50348 301.3877       142.7410 68.18320       237.5732 433.1332       178.5652 74.71201 33.19983 117.6744 31.22673 -42.96235      45.57782 
1 1 1 -5  1   35 o 99.18707 29.41922 316.4647       149.5203 345.2690       250.5763 300.5378       186.3273 95.73549 37.54998 93.47515 33.20935 2.260338       50.12845 
1 1 1 -5  2   1  o 274.6367 6.740612 1807.175       88.50467 1715.733       124.3382 1901.088       126.0075 267.0858 9.753834 281.2232 9.385250 -14.13748      13.53588 
1 1 1 -5  2   2  o 31.79018 9.459164 24.55185       15.43806 19.06919       19.72685 33.21611       24.79866 30.38930 10.80472 37.66285 12.12461 -7.273548      16.24033 
1 1 1 -5  2   3  o 370.2968 7.087902 3285.353       125.4805 3229.053       176.7302 3342.586       178.1912 366.5387 10.09476 372.9497 10.00276 -6.410980      14.21125 
1 1 1 -5  2   4  o 369.8364 9.008290 3280.909       159.2797 3287.274       178.8465 3256.502       350.2206 369.8914 10.12293 365.4347 20.12349 4.456665       22.52618 
1 1 1 -5  2   5  o 169.3972 8.520153 689.5424       68.78050 660.0778       88.28541 735.0416       109.7088 165.4052 11.23090 174.2849 13.26626 -8.879745      17.38179 
1 1 1 -5  2   6  o 328.3087 9.192865 2585.730       144.1498 2564.116       165.9252 2652.247       291.0781 326.7367 10.63617 330.7474 18.48142 -4.010742      21.32348 
1 1 1 -5  2   7  o 111.6056 10.04390 300.9988       53.01893 349.8339       78.52286 260.0800       71.87728 119.8449 13.96607 102.9115 15.05423 16.93338       20.53487 
1 1 1 -5  2   8  f 476.0783 17.26935 5465.613       392.4123 5246.814       555.2999 5683.869       554.6102 464.1821 25.11606 483.5375 24.06669 -19.35538      34.78537 
1 1 1 -5  2   9  o 110.7930 10.06784 296.5309       52.74645 300.9262       76.48988 292.5457       72.83383 110.9546 14.78733 109.4584 14.25640 1.496185       20.54045 
1 1 1 -5  2   10 o 350.2733 9.767062 2941.549       163.4012 3198.151       333.9953 2860.806       187.3536 363.7288 19.27559 345.2471 11.36622 18.48172       22.37720 
1 1 1 -5  2   11 o 175.2261 10.50444 738.4868       87.59544 716.9730       126.1976 758.4889       121.6830 172.0150 15.51181 177.1097 14.49750 -5.094650      21.23191 
1 1 1 -5  2   12 o 499.8400 10.51301 5988.405       251.2272 6266.953       615.6420 5932.752       275.1820 507.4136 25.45936 497.3701 11.57263 10.04343       27.96614 
1 1 1 -5  2   13 o 199.8620 10.94568 960.6218       104.1886 1068.867       150.5716 861.1823       144.3172 210.3178 15.07470 188.4989 16.17012 21.81891       22.10699 
1 1 1 -5  2   14 o 239.3299 10.24178 1375.614       116.9164 1420.966       174.5201 1338.687       157.4794 242.5950 15.12239 235.6037 14.04458 6.991241       20.63824 
1 1 1 -5  2   15 f 100.6418 16.20029 250.0099       75.30347 403.3275       149.9436 198.2980       87.08176 126.4922 25.67274 88.76437 20.87312 37.72788       33.08741 
1 1 1 -5  2   16 o 240.9051 14.47626 1401.803       165.9596 1308.406       233.3181 1497.450       236.1115 231.2887 21.34066 247.8617 20.09731 -16.57297      29.31425 
1 1 1 -5  2   17 f 308.3646 14.48262 2296.280       212.9144 2121.620       307.9631 2456.207       294.6883 294.4036 22.03996 317.6642 19.49771 -23.26056      29.42653 
1 1 1 -5  2   18 o 313.6862 13.39738 2375.143       200.4575 1783.036       301.5906 2843.747       268.3000 268.8106 23.71008 342.4809 16.43407 -73.67026      28.84868 
1 1 1 -5  2   19 f 452.8427 13.63911 4952.736       294.9486 5046.779       359.5305 4759.179       515.7972 456.0404 16.51741 438.8167 24.68551 17.22372       29.70184 
1 1 1 -5  2   20 o 623.3537 10.13396 9344.474       302.0105 9781.926       444.6294 8969.771       411.5060 635.7187 14.62934 609.0079 14.13334 26.71075       20.34131 
1 1 1 -5  2   21 o 235.4101 15.75893 1352.284       176.3402 1400.201       295.6306 1325.819       219.7053 235.1964 26.76690 231.6426 20.03550 3.553787       33.43483 
1 1 1 -5  2   22 o 397.5776 13.14194 3829.792       249.4552 3810.663       439.1100 3838.907       303.1177 390.8257 23.61088 396.7694 16.01245 -5.943726      28.52845 
1 1 1 -5  2   23 o 208.1315 14.80939 1057.980       146.3986 1190.738       222.4724 956.5838       194.4277 218.3617 21.59277 195.7040 21.11400 22.65767       30.20015 
1 1 1 -5  2   24 o 129.6430 24.57607 433.9896       146.7513 491.9565       189.1896 346.4261       232.5246 136.1626 29.88417 114.0813 37.15940 22.08124       47.68527 
1 1 1 -5  2   25 o 117.4143 25.30398 360.5335       137.8506 341.0877       312.8323 365.2193       153.5637 115.6756 42.75235 117.3690 27.79806 -1.693428      50.99505 
1 1 1 -5  2   26 o 149.6969 22.67144 573.8069       157.1823 514.2983       205.7200 657.2744       243.6382 137.4397 31.92076 154.7402 33.87489 -17.30046      46.54507 
1 1 1 -5  2   27 o 263.9263 14.78337 1708.804       185.7912 2255.441       283.1499 1295.512       246.2039 300.3693 19.82844 225.4614 23.17038 74.90790       30.49645 
1 1 1 -5  2   28 o 137.7648 20.49833 483.7659       130.9031 977.9792       215.6381 195.3647       164.7277 195.1153 23.59540 88.67653 31.25124 106.4388       39.15843 
1 1 1 -5  2   29 o 93.33011 29.00692 234.8414       143.0596 -87.09689      354.1880 297.6020       156.3836 84.43561 38.71830 103.9421 29.88127 -19.50649      48.90804 
1 1 1 -5  2   30 o 138.4516 21.84470 500.3048       139.8060 621.0199       231.0238 430.5526       175.6124 146.9149 33.62058 123.9146 29.97324 23.00037       45.04152 
1 1 1 -5  2   31 o 122.8231 25.51313 410.7813       144.9123 517.7836       248.7711 355.8255       178.2830 129.7483 37.80461 110.9011 31.91216 18.84720       49.47297 
1 1 1 -5  2   32 o 149.5497 24.96646 611.3766       172.2164 713.1870       383.1807 585.6058       192.7844 137.6285 47.72147 143.1202 29.16583 -5.491684      55.92839 
1 1 1 -5  2   33 o 221.1523 24.82396 1357.636       257.9389 1334.849       361.5182 1381.265       368.1332 200.4181 39.13446 203.8725 39.19260 -3.454483      55.38561 
1 1 1 -5  2   34 o 68.49426 29.70306 66.53566       179.9123 37.95596       323.3572 79.34992       216.5212 78.81442 36.44753 73.15579 32.13578 5.658630       48.59147 
1 1 1 -5  2   35 o 68.27013 32.84872 -112.1762      315.4980 96.97127       586.4896 -197.3467      374.2647 85.79595 42.06285 69.58530 34.00662 16.21065       54.09005 
1 1 1 -5  3   1  o 260.1628 6.972308 1622.145       86.64400 0.000000       0.000000 1622.145       86.64400 ?        ?        260.1628 6.972308 0.000000       6.972308 
1 1 1 -5  3   2  o 394.1965 7.158732 3721.505       134.9141 3933.430       189.4155 3503.281       192.2099 404.9359 9.784099 381.9037 10.53729 23.03223       14.37926 
1 1 1 -5  3   3  o 406.1225 7.194085 3949.668       139.6822 4076.191       195.8647 3818.721       199.2599 412.2453 9.937842 398.8056 10.45985 13.43967       14.42807 
1 1 1 -5  3   4  o 403.7534 7.249568 3903.240       139.9383 4015.702       196.5909 3787.727       199.2411 409.2189 10.04846 397.2386 10.50026 11.98029       14.53365 
1 1 1 -5  3   5  o 160.0513 7.751833 614.8239       59.13961 630.5412       81.36749 597.2228       86.10556 161.8123 10.57591 157.3484 11.52614 4.463928       15.64295 
1 1 1 -5  3   6  o 182.3783 8.052419 797.9874       70.03837 786.1151       98.60060 810.0783       99.50401 180.6757 11.47417 183.4278 11.40303 -2.752121      16.17670 
1 1 1 -5  3   7  o 353.2281 9.373303 2990.990       158.1511 2957.427       324.4929 3001.446       181.1187 349.6053 19.49134 353.6918 10.72339 -4.086548      22.24642 
1 1 1 -5  3   8  o 176.7273 9.972152 750.6866       83.91417 755.2565       118.0330 746.0164       119.3227 176.7901 14.08115 175.6643 14.33240 1.125824       20.09220 
1 1 1 -5  3   9  o 359.8936 14.01000 3114.937       240.5970 3148.388       339.9244 3081.356       340.5877 360.7514 19.78481 356.8227 20.04554 3.928711       28.16492 
1 1 1 -5  3   10 o 346.3711 9.950276 2876.998       164.6019 2850.312       191.3277 2953.004       322.8977 344.5595 11.63130 349.3867 19.40707 -4.827271      22.62568 
1 1 1 -5  3   11 o 263.1203 11.87154 1664.062       148.9531 1681.831       211.0210 1646.416       210.2840 263.8032 16.81918 260.9784 16.94524 2.824829       23.87522 
1 1 1 -5  3   12 o 562.9258 19.95353 7661.924       536.1568 7550.946       758.5919 7772.696       757.8890 555.4943 28.66099 563.8159 28.20598 -8.321594      40.21231 
1 1 1 -5  3   13 f 397.4224 10.72115 3790.146       203.5192 3873.657       237.4229 3558.768       395.1966 401.5236 12.38291 382.8048 21.68237 18.71872       24.96921 
1 1 1 -5  3   14 o 227.2914 11.86512 1243.364       128.4864 1106.975       184.3039 1372.329       179.2172 213.4008 18.23938 238.2152 15.82602 -24.81441      24.14824 
1 1 1 -5  3   15 o 186.6243 13.28274 841.4591       117.7379 1027.122       179.4976 701.2578       155.9812 205.3559 18.48029 169.1327 19.65591 36.22318       26.97917 
1 1 1 -5  3   16 o 302.4159 14.23282 2207.413       205.2030 2323.709       300.5553 2105.867       280.8477 308.7374 20.47803 293.9512 20.10527 14.78616       28.69794 
1 1 1 -5  3   17 o 434.0453 17.14606 4567.208       355.1016 4227.619       508.4143 4890.661       496.1878 413.9158 25.82057 446.5617 23.32190 -32.64587      34.79386 
1 1 1 -5  3   18 o 194.1125 20.50028 928.7734       187.3782 1135.015       297.2348 792.7569       241.3837 211.3622 30.27842 176.2322 29.70442 35.13002       42.41622 
1 1 1 -5  3   19 o 107.4472 26.19715 297.4897       133.3390 189.4456       288.4827 326.8427       150.3646 102.3948 40.25164 112.3391 28.07666 -9.944260      49.07640 
1 1 1 -5  3   20 o 273.6416 14.65886 1819.511       191.0745 1618.973       280.2555 1993.693       261.1910 254.9292 23.25023 284.8187 19.29535 -29.88953      30.21397 
1 1 1 -5  3   21 o 304.3687 14.40736 2251.972       209.0539 2137.941       310.5238 2346.498       282.7217 293.1540 22.32384 308.7146 19.25132 -15.56061      29.47825 
1 1 1 -5  3   22 o 176.4182 16.68899 766.0058       139.0876 936.0568       213.6658 640.9590       183.2237 192.5623 23.70894 158.3758 25.02891 34.18642       34.47550 
1 1 1 -5  3   23 o 344.2224 14.50989 2885.777       238.2520 3568.978       384.5025 2459.976       303.5489 378.9219 21.31055 314.9860 20.26466 63.93597       29.40742 
1 1 1 -5  3   24 o 206.9623 17.83916 1059.544       174.7910 1480.756       333.0688 899.4500       205.3388 238.3173 29.88837 188.3248 23.30302 49.99246       37.89915 
1 1 1 -5  3   25 o 68.67139 27.52343 71.23312       137.3942 -142.2682      321.4928 118.9400       151.9713 79.85780 36.71802 77.17081 29.51968 2.686996       47.11289 
1 1 1 -5  3   26 o 78.31667 28.88383 136.5907       142.6609 -563.4022      345.6534 280.3131       156.6232 65.84332 32.28297 102.1602 30.06058 -36.31688      44.11155 
1 1 1 -5  3   27 o 108.0425 26.12316 310.6855       133.4375 -124.7925      219.8483 564.6823       167.9013 65.33662 30.15734 147.2349 24.72831 -81.89824      38.99942 
1 1 1 -5  3   28 o 64.72511 27.81045 16.01410       154.8832 371.9481       213.8712 -376.5197      224.5981 114.9450 35.42313 53.53872 26.20258 61.40627       44.06102 
1 1 1 -5  3   29 o 315.6385 17.31166 2490.100       260.2381 2274.031       370.2161 2701.144       365.8866 292.9704 26.72554 322.5555 23.89622 -29.58505      35.85086 
1 1 1 -5  3   30 o 246.1479 21.66970 1566.567       252.4095 1505.518       317.2603 1671.847       416.6315 234.6814 28.88543 237.3353 37.99974 -2.653915      47.73204 
1 1 1 -5  3   31 o 65.13801 29.96818 -81.20657      214.6110 55.11989       441.7296 -123.3279      245.5373 95.09533 43.46814 67.09970 31.27851 27.99563       53.55207 
1 1 1 -5  3   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  3   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  3   34 o 200.7041 28.32049 1206.459       264.2033 1041.079       389.6438 1347.209       359.4588 152.9994 47.92063 193.8472 40.10999 -40.84785      62.49159 
1 1 1 -5  3   35 o 77.56509 32.47707 183.3559       202.1737 244.7050       620.8391 176.0784       213.8292 87.32395 42.90597 77.22409 32.91623 10.09986       54.07772 
1 1 1 -5  4   1  o 158.0521 6.961084 599.0849       52.47095 0.000000       0.000000 599.0849       52.47095 ?        ?        158.0521 6.961084 0.000000       6.961084 
1 1 1 -5  4   2  o 96.51205 6.181213 223.7950       28.37100 217.7267       47.45503 227.1704       35.39262 94.70200 10.66660 97.10686 7.686144 -2.404861      13.14737 
1 1 1 -5  4   3  o 316.5380 7.065983 2398.158       106.9318 2361.065       148.7848 2437.788       153.7881 313.7317 9.932057 318.7742 10.10369 -5.042480      14.16793 
1 1 1 -5  4   4  o 70.75690 9.479193 122.0700       31.26032 93.66826       37.77321 183.8003       55.68783 61.29433 13.27498 86.40135 13.95684 -25.10702      19.26184 
1 1 1 -5  4   5  o 99.97845 8.821465 241.2304       41.73325 225.2204       55.93434 261.3344       62.67935 96.09526 12.46868 103.5601 12.94141 -7.464867      17.97076 
1 1 1 -5  4   6  o 302.7591 7.324717 2193.890       106.0221 2159.389       149.3632 2228.927       150.5193 299.9972 10.42988 304.8041 10.34410 -4.806885      14.68955 
1 1 1 -5  4   7  o 261.6431 9.309225 1641.791       116.2622 1718.792       204.8436 1605.199       141.2100 266.8613 16.13100 258.4886 11.45502 8.372711       19.78450 
1 1 1 -5  4   8  o 605.4631 21.07211 8865.612       609.0339 8711.041       860.5876 9020.700       862.0223 596.4996 30.27605 607.2642 29.78237 -10.76465      42.46915 
1 1 1 -5  4   9  o 572.6973 8.059252 7852.671       220.6623 7613.417       310.2547 8097.587       313.9046 563.4400 11.51761 581.1151 11.29867 -17.67511      16.13428 
1 1 1 -5  4   10 o 181.9385 10.43378 796.0406       90.37530 730.0331       124.2358 870.2311       131.7115 173.6089 15.11872 189.7320 14.63327 -16.12308      21.04063 
1 1 1 -5  4   11 o 280.1212 8.884347 1881.511       118.8312 1859.898       164.7755 1904.933       171.5335 278.0972 12.42469 281.4015 12.78350 -3.304260      17.82669 
1 1 1 -5  4   12 o 235.5404 11.60569 1334.375       130.2883 1454.109       183.4245 1212.448       185.0979 245.2999 15.72333 223.6015 17.45300 21.69835       23.49107 
1 1 1 -5  4   13 o 137.1940 11.98756 455.2611       77.83844 403.7890       108.5450 509.7517       111.6824 128.0906 18.23969 144.5369 16.45475 -16.44624      24.56512 
1 1 1 -5  4   14 o 190.3609 11.73088 873.3896       106.2435 847.3549       149.8757 899.6867       150.6291 186.6473 16.98155 192.4533 16.53100 -5.806030      23.69909 
1 1 1 -5  4   15 o 454.8187 12.61803 4978.053       274.1059 5345.838       335.4925 4239.615       475.3817 470.7123 14.92686 416.0343 24.00228 54.67795       28.26518 
1 1 1 -5  4   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  4   17 f 436.7407 16.85775 4629.246       351.3300 5244.932       500.5947 4031.616       493.1992 462.1223 22.72769 403.5005 25.69999 58.62173       34.30798 
1 1 1 -5  4   18 o 217.2049 16.40378 1150.706       169.0830 955.5374       222.8821 1415.305       259.5159 195.3941 24.38874 238.8517 23.01068 -43.45758      33.53061 
1 1 1 -5  4   19 o 94.01557 32.89814 207.9464       182.3258 229.9606       283.3100 192.3833       238.2101 105.2903 40.29801 97.21216 37.01350 8.078178       54.71681 
1 1 1 -5  4   20 o 82.22029 25.68686 169.1021       112.0286 194.7834       175.6951 151.5071       145.4271 91.26322 32.26487 82.02898 29.31783 9.234238       43.59538 
1 1 1 -5  4   21 o 245.5100 14.64171 1469.063       171.0772 1840.531       254.5558 1163.080       231.0309 272.8929 19.64254 215.3471 22.78518 57.54584       30.08311 
1 1 1 -5  4   22 o 280.2711 15.25134 1918.003       203.5894 1664.478       288.0752 2170.979       287.7630 257.2206 23.69165 295.8030 20.47444 -38.58237      31.31289 
1 1 1 -5  4   23 o 171.8861 19.13879 736.7193       154.6120 597.5191       219.6563 873.4083       217.6661 149.3627 31.74013 184.6581 25.32170 -35.29533      40.60325 
1 1 1 -5  4   24 o 268.0527 17.71355 1775.618       225.7319 2051.433       368.0402 1609.294       285.8006 281.8389 27.67033 251.7051 24.04174 30.13387       36.65586 
1 1 1 -5  4   25 o 208.9099 25.69664 1127.661       251.2504 1010.728       368.0946 1229.664       343.7924 186.3553 42.28795 211.8067 35.18462 -25.45143      55.01116 
1 1 1 -5  4   26 o 284.3784 17.74359 2007.218       240.0364 2482.766       394.9216 1728.609       302.2809 309.1957 26.98600 259.4070 24.67028 49.78873       36.56319 
1 1 1 -5  4   27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  4   28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  4   29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  4   30 o 207.1729 24.77166 1143.864       240.4987 1243.733       298.4031 958.7506       406.2614 210.8548 30.48514 165.3066 48.35239 45.54819       57.16029 
1 1 1 -5  4   31 o 62.99649 28.11199 -13.36634      172.1913 -163.0372      261.1973 101.6774       228.9980 66.52836 31.40409 80.01730 34.08389 -13.48894      46.34575 
1 1 1 -5  4   32 o 175.4732 25.47666 861.7291       207.4868 1164.847       340.8454 683.2744       261.5263 186.9554 39.37954 143.2195 37.69038 43.73584       54.50975 
1 1 1 -5  4   33 o 76.97961 32.93771 125.8563       215.5797 -429.1226      537.1412 232.4162       235.3679 77.40518 38.37685 87.75967 35.71786 -10.35449      52.42660 
1 1 1 -5  4   34 o 137.4519 35.53530 666.4232       235.2198 573.5476       558.9451 686.4108       259.2981 100.9481 47.10192 134.9656 38.37387 -34.01747      60.75479 
1 1 1 -5  4   35 o 60.35831 29.05498 -116.1431      247.4827 -173.8505      326.4227 -38.12711      379.5389 64.73708 31.66319 72.19617 35.04816 -7.459091      47.23273 
1 1 1 -5  5   1  o 141.8716 6.973825 482.8354       47.15653 0.000000       0.000000 482.8354       47.15653 ?        ?        141.8716 6.973825 0.000000       6.973825 
1 1 1 -5  5   2  o 142.9787 7.341904 490.5670       50.01862 0.000000       0.000000 490.5670       50.01862 ?        ?        142.9787 7.341904 0.000000       7.341904 
1 1 1 -5  5   3  o 330.5575 5.723217 2613.970       90.44730 2529.229       155.1085 2657.630       111.3356 324.7506 10.00219 333.2449 6.988152 -8.494293      12.20156 
1 1 1 -5  5   4  o 600.3252 7.707010 8626.853       221.1978 8471.530       309.2356 8789.594       316.5340 594.4885 10.88022 605.5374 10.93380 -11.04895      15.42489 
1 1 1 -5  5   5  o 619.6469 7.804439 9191.591       231.2035 8920.455       322.4143 9478.616       331.7267 609.9988 11.05546 628.7968 11.03473 -18.79797      15.62013 
1 1 1 -5  5   6  o 447.0295 9.548708 4787.449       204.0747 4768.999       224.0504 4877.296       494.4234 446.0643 10.50606 448.2403 23.15014 -2.175964      25.42256 
1 1 1 -5  5   7  o 491.2413 9.892613 5782.520       232.3348 5749.625       252.8651 5960.778       588.6339 489.7287 10.80003 494.9643 24.95551 -5.235626      27.19224 
1 1 1 -5  5   8  o 122.6886 10.69469 363.5821       62.10450 382.6230       79.52186 333.8101       99.43665 125.5179 13.46180 116.2678 18.50856 9.250168       22.88639 
1 1 1 -5  5   9  o 418.7652 10.15934 4203.357       203.3970 4179.219       437.8795 4209.998       229.6790 414.8909 22.15594 418.7832 11.48242 -3.892365      24.95460 
1 1 1 -5  5   10 o 176.4490 10.79295 749.3964       90.61182 809.7982       124.7023 681.8326       131.8884 182.9824 14.36987 167.4359 16.69835 15.54651       22.03016 
1 1 1 -5  5   11 o 285.6125 10.40003 1958.700       141.7732 1842.774       230.2811 2029.458       179.9113 275.8721 17.55092 290.3749 12.99249 -14.50275      21.83665 
1 1 1 -5  5   12 o 155.5730 11.54761 584.1193       85.27601 634.4374       121.7852 535.7158       119.4458 161.5011 15.98222 148.0552 17.19424 13.44586       23.47495 
1 1 1 -5  5   13 o 317.5029 11.08446 2422.859       167.9980 2497.769       209.4580 2287.760       281.2892 321.9362 13.63967 306.8244 19.27322 15.11185       23.61139 
1 1 1 -5  5   14 o 155.3798 15.23698 587.7711       111.7346 857.0938       159.7353 329.7356       156.3523 187.3311 18.05896 113.4766 28.78127 73.85443       33.97775 
1 1 1 -5  5   15 o 245.4845 16.31467 1463.655       190.3878 1506.086       307.0405 1437.150       242.6735 245.9231 26.53444 241.9362 21.19420 3.986877       33.95985 
1 1 1 -5  5   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  5   17 o 480.3301 14.34665 5583.458       329.0876 6047.760       404.9955 4681.071       564.6063 498.6909 17.01166 432.7444 27.43133 65.94647       32.27808 
1 1 1 -5  5   18 o 235.6849 16.50640 1356.909       184.8154 1477.615       260.8942 1235.322       261.8452 243.7607 22.64580 221.6983 25.14811 22.06235       33.84169 
1 1 1 -5  5   19 o 230.9753 19.18698 1316.531       209.9640 1673.391       348.7454 1113.636       262.9631 255.7670 29.03350 209.1284 26.92516 46.63858       39.59682 
1 1 1 -5  5   20 o 537.9717 15.86736 7056.037       407.6596 7746.680       764.0634 6781.196       481.9960 551.2353 29.09542 524.9804 19.23654 26.25488       34.87962 
1 1 1 -5  5   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  5   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  5   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  5   24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  5   25 o 204.1374 23.18638 1066.105       222.2850 1097.566       277.7976 1010.108       370.6142 203.2808 29.44006 185.0236 42.75564 18.25722       51.91110 
1 1 1 -5  5   26 o 67.95117 28.61288 39.68841       158.3089 66.65945       289.2147 28.15033       189.1639 87.93169 37.89462 71.76921 30.78401 16.16248       48.82271 
1 1 1 -5  5   27 o 123.9297 31.16046 426.1138       184.4064 91.81306       418.6283 506.5997       205.4091 100.4996 44.39415 134.7055 32.31114 -34.20586      54.90765 
1 1 1 -5  5   28 o 89.98524 37.16275 155.6587       259.5595 184.2225       433.2967 139.6721       324.1563 104.1558 45.61519 93.99140 40.30656 10.16443       60.87170 
1 1 1 -5  5   29 o 92.43159 32.81208 232.7688       181.8632 345.3046       445.3026 210.2411       199.2363 112.2007 47.65124 90.27802 33.96841 21.92265       58.51917 
1 1 1 -5  5   30 o 84.07809 32.68755 171.0491       188.5219 675.9713       464.7669 71.61208       206.2515 132.6414 51.39128 75.46942 32.25252 57.17197       60.67363 
1 1 1 -5  5   31 o 111.9624 36.82869 407.9409       228.1526 269.8672       287.0248 644.9116       376.0203 96.36910 39.35970 128.2375 46.96043 -31.86835      61.27372 
1 1 1 -5  5   32 f 110.4479 33.08086 395.5470       188.3382 436.7840       293.4524 366.6638       245.5930 107.8588 41.07827 102.5125 37.88149 5.346245       55.87872 
1 1 1 -5  5   33 o 133.4698 31.39878 568.7936       196.9846 245.4096       310.0336 787.7172       255.0914 88.90055 38.76677 152.2973 35.66542 -63.39671      52.67717 
1 1 1 -5  5   34 o 60.28065 27.88080 -16.67715      189.3195 120.3319       301.0869 -106.2691      243.4735 76.65280 35.34887 61.20595 29.29305 15.44685       45.90888 
1 1 1 -5  6   1  o 117.8137 7.597673 333.6316       42.56602 0.000000       0.000000 333.6316       42.56602 ?        ?        117.8137 7.597673 0.000000       7.597673 
1 1 1 -5  6   2  f 384.2890 7.330273 3534.775       134.6748 0.000000       0.000000 3534.775       134.6748 ?        ?        384.2890 7.330273 0.000000       7.330273 
1 1 1 -5  6   3  o 250.9793 7.100083 1508.828       85.10854 0.000000       0.000000 1508.828       85.10854 ?        ?        250.9793 7.100083 0.000000       7.100083 
1 1 1 -5  6   4  o 104.0704 12.34653 263.4940       60.23448 240.1949       71.67622 319.5030       111.1308 98.74027 15.70925 113.1733 21.32107 -14.43304      26.48336 
1 1 1 -5  6   5  o 323.9334 7.920711 2512.381       122.6671 2265.878       161.3604 2849.886       188.8109 307.2082 11.00419 344.5137 11.47940 -37.30545      15.90185 
1 1 1 -5  6   6  o 667.7302 22.98387 10817.50       732.6299 10569.80       1034.505 11066.72       1037.692 654.8505 33.15105 670.5122 32.46730 -15.66168      46.40170 
1 1 1 -5  6   7  o 1153.061 39.18981 33134.54       2157.258 32459.42       3049.112 33811.18       3052.538 1115.632 57.35937 1140.646 56.14852 -25.01416      80.26677 
1 1 1 -5  6   8  o 207.1491 10.94248 1032.050       107.9852 1029.089       139.0119 1036.555       171.4757 206.4255 14.17174 206.6242 17.52365 -0.1987305     22.53701 
1 1 1 -5  6   9  o 394.4484 9.274954 3728.711       174.9083 3569.971       231.8203 3938.506       266.5062 385.3462 12.60017 404.5419 13.79977 -19.19568      18.68684 
1 1 1 -5  6   10 o 322.1984 12.63104 2497.707       194.1908 2601.808       299.1594 2421.902       255.2842 327.4897 19.19129 316.4454 16.93564 11.04428       25.59534 
1 1 1 -5  6   11 o 150.8483 19.58569 559.8436       137.9182 596.0558       173.5984 497.8723       227.0979 154.6232 24.28284 138.9087 34.38255 15.71458       42.09294 
1 1 1 -5  6   12 o 324.3122 12.35960 2532.295       191.2849 2426.049       237.9639 2726.313       321.5705 316.7141 15.76532 334.5721 20.19786 -17.85800      25.62224 
1 1 1 -5  6   13 o 381.7728 22.12074 3567.290       402.0214 0.000000       0.000000 3567.290       402.0214 ?        ?        381.7728 22.12074 0.000000       22.12074 
1 1 1 -5  6   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  6   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  6   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  6   18 o 288.8077 15.29658 2032.794       210.4554 2207.821       296.6327 1855.396       298.6350 298.5844 20.91213 272.5325 23.13850 26.05188       31.18826 
1 1 1 -5  6   19 o 258.9700 18.20860 1651.431       224.0049 1480.297       343.5962 1777.937       295.4162 238.7607 30.81888 266.2552 23.44675 -27.49446      38.72406 
1 1 1 -5  6   20 o 209.3809 17.91109 1082.361       177.5744 1193.714       248.1060 965.4125       254.2634 217.1736 24.31260 193.1229 28.38484 24.05075       37.37381 
1 1 1 -5  6   21 o 275.7851 17.88622 1876.151       234.5572 2284.354       377.2391 1618.875       299.4868 298.9943 26.67005 252.2949 25.16438 46.69937       36.66793 
1 1 1 -5  6   22 o 252.7669 16.68354 1573.189       200.4848 1853.026       289.0289 1313.685       278.3304 271.2923 22.48594 226.0584 26.24018 45.23386       34.55668 
1 1 1 -5  6   23 o 144.6003 31.04169 565.7379       208.1795 631.3289       374.7676 536.4663       250.3591 144.6468 47.17944 137.7908 37.15991 6.856033       60.05629 
1 1 1 -5  6   24 o 92.58861 34.01303 206.7122       197.5046 320.1192       228.2695 -131.0104      393.9199 108.5853 36.85949 88.01134 40.53131 20.57396       54.78511 
1 1 1 -5  6   25 o 139.0931 32.57514 535.7043       212.7909 443.1757       250.9204 772.6633       401.5454 124.2542 38.38231 156.2183 48.60424 -31.96404      61.93201 
1 1 1 -5  6   26 o 262.0717 18.10316 1715.072       225.4270 2091.815       322.7671 1356.289       314.9794 285.1737 23.89345 224.7024 30.07462 60.47124       38.41067 
1 1 1 -5  6   27 o 96.57992 35.18019 247.2270       210.6156 117.8463       424.9367 289.3611       242.4971 100.3814 44.51537 102.8219 37.70246 -2.440475      58.33604 
1 1 1 -5  6   28 o 295.9481 19.03505 2224.941       267.8976 2465.876       468.5905 2107.953       326.5228 293.7838 33.98860 282.7868 24.38972 10.99695       41.83399 
1 1 1 -5  6   29 f 69.58685 32.62181 -144.7894      273.3774 229.6170       456.2388 -354.5153      341.4653 104.2919 46.19406 69.12112 33.48180 35.17083       57.05192 
1 1 1 -5  6   30 o 103.9721 31.43831 322.5736       169.5110 578.6405       286.0907 184.0447       210.4250 130.3385 41.09542 85.78072 34.16846 44.55775       53.44453 
1 1 1 -5  6   31 o 132.4218 29.10842 522.9735       179.2500 746.3141       309.2785 410.0051       219.9604 141.9311 42.36393 110.3646 36.15382 31.56649       55.69381 
1 1 1 -5  6   32 o 173.1162 29.95749 915.3285       238.9707 879.3405       319.9646 960.7261       359.3682 151.0323 42.52016 152.1439 45.72496 -1.111633      62.43986 
1 1 1 -5  6   33 o 59.61790 27.18117 -4.046608      171.2876 -35.24136      305.8946 10.20228       206.7386 70.59680 33.51879 64.66035 29.62436 5.936455       44.73378 
1 1 1 -5  6   34 o 61.48680 29.05253 -37.13604      224.5520 598.5378       524.8906 -179.5389      248.4340 93.24158 44.16404 57.41729 27.98246 35.82429       52.28270 
1 1 1 -5  7   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7   8  o 344.0069 19.54906 2873.307       320.1917 2873.307       320.1917 0.000000       0.000000 344.0069 19.54906 ?        ?        0.000000       19.54906 
1 1 1 -5  7   9  o 507.6985 12.14525 6193.835       294.7954 6308.507       630.3481 6161.734       333.5157 507.0008 26.09317 505.8124 13.80463 1.188354       29.51985 
1 1 1 -5  7   10 o 111.4781 16.03073 305.9708       82.98426 359.5366       103.2615 208.2957       139.4397 120.5032 18.51530 91.96982 28.64608 28.53336       34.10885 
1 1 1 -5  7   11 o 195.9146 13.10209 928.2707       122.0147 1039.048       162.1296 783.5835       185.2901 206.6431 16.54915 177.8828 22.27462 28.76030       27.74947 
1 1 1 -5  7   12 o 577.3627 20.20513 8129.685       556.8635 7325.233       782.5214 8955.041       792.6238 541.3009 30.35938 600.8477 27.66697 -59.54681      41.07497 
1 1 1 -5  7   13 o 359.7627 13.02993 3124.790       223.7426 2511.040       324.2642 3682.546       309.1187 319.7419 21.33452 389.4045 16.64250 -69.66260      27.05799 
1 1 1 -5  7   14 f 279.0140 14.60863 1888.303       194.1907 1649.840       275.9882 2122.120       273.2859 258.1201 22.59208 294.1907 19.54108 -36.07062      29.87065 
1 1 1 -5  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7   16 f 212.9520 18.30144 1116.578       184.5213 1147.439       270.4633 1089.707       252.3793 212.2555 27.28292 207.3367 26.03306 4.918762       37.71045 
1 1 1 -5  7   17 f 392.3752 13.48465 3734.407       252.5828 3581.157       334.6469 3937.292       385.0436 381.8615 18.38444 399.3260 20.23447 -17.46442      27.33901 
1 1 1 -5  7   18 o 82.68865 33.37929 102.7857       203.6320 87.32427       274.8370 121.6039       303.2069 90.19421 37.82238 96.18372 39.98383 -5.989517      55.03852 
1 1 1 -5  7   19 o 530.3009 13.94525 6835.339       353.2482 6810.195       407.4026 6911.508       709.0787 527.8302 16.16342 519.6667 28.65135 8.163513       32.89614 
1 1 1 -5  7   20 o 56.53690 24.48128 -4.811270      121.8484 278.3848       167.6978 -321.5311      177.3459 102.6351 31.31832 47.41115 23.22042 55.22394       38.98750 
1 1 1 -5  7   21 o 96.94426 28.34490 247.9537       139.6355 360.1403       186.6375 105.3159       210.4484 115.1732 32.49198 83.04382 33.78324 32.12940       46.87255 
1 1 1 -5  7   22 o 59.90831 27.25743 -77.48530      171.1324 65.73087       309.5887 -140.5013      205.3593 90.71991 39.15215 61.99049 28.79808 28.72942       48.60268 
1 1 1 -5  7   23 o 73.05964 28.29970 102.9395       140.9095 245.5487       190.3704 -69.87130      209.5613 97.26318 33.64110 67.17823 30.40543 30.08495       45.34549 
1 1 1 -5  7   24 o 264.9911 20.59754 1770.440       258.9008 1369.293       355.1156 2225.583       378.2614 222.8934 34.43293 291.6371 27.45235 -68.74362      44.03701 
1 1 1 -5  7   25 o 62.10762 28.08710 -60.53832      178.3823 -133.2953      202.1291 195.6777       379.3104 61.34337 28.52237 104.2155 44.10716 -42.87215      52.52587 
1 1 1 -5  7   26 o 322.8891 18.53588 2622.094       284.9352 2626.612       367.0255 2615.240       452.0493 317.5551 24.36115 309.2452 30.99282 8.309906       39.42106 
1 1 1 -5  7   27 o 73.29687 32.08345 25.17003       214.1010 232.6747       395.2516 -61.00011      254.7054 103.5877 44.46624 72.57240 33.10971 31.01529       55.43915 
1 1 1 -5  7   28 o 109.5515 36.26357 363.8170       221.0876 438.1198       412.5810 333.8863       261.8578 116.1280 47.27998 105.5943 39.09845 10.53373       61.35214 
1 1 1 -5  7   29 o 169.8975 25.61575 791.5092       201.6050 731.3060       287.9797 849.3731       282.3292 149.8351 39.60722 165.5097 36.64792 -15.67462      53.96111 
1 1 1 -5  7   30 o 169.4229 30.60750 857.0898       238.7963 835.2623       297.1369 896.8986       401.2763 155.9108 39.74857 145.6921 48.87063 10.21867       62.99434 
1 1 1 -5  7   31 o 111.7910 31.47528 401.1306       175.3202 382.1444       290.2386 412.0384       219.9911 101.0082 40.16308 108.3172 36.18269 -7.308990      54.05793 
1 1 1 -5  7   32 o 70.86995 29.67204 118.1560       168.7436 65.45623       280.2157 148.1401       211.3651 74.70872 34.32463 76.39887 32.64981 -1.690155      47.37288 
1 1 1 -5  7   33 o 76.98371 33.48407 185.0808       230.0410 269.8050       299.6867 63.55433       358.9213 83.72289 37.24111 74.81505 35.74104 8.907845       51.61707 
1 1 1 -5  8   1  o 379.8812 7.452718 3455.686       135.3539 0.000000       0.000000 3455.686       135.3539 ?        ?        379.8812 7.452718 0.000000       7.452718 
1 1 1 -5  8   2  o 623.0667 10.13281 9310.554       301.8372 0.000000       0.000000 9310.554       301.8372 ?        ?        623.0667 10.13281 0.000000       10.13281 
1 1 1 -5  8   3  o 721.8365 10.64934 12501.81       367.5107 0.000000       0.000000 12501.81       367.5107 ?        ?        721.8365 10.64934 0.000000       10.64934 
1 1 1 -5  8   4  o 453.9076 9.388941 4939.852       203.7476 0.000000       0.000000 4939.852       203.7476 ?        ?        453.9076 9.388941 0.000000       9.388941 
1 1 1 -5  8   5  o 281.2432 6.701810 1893.804       90.11199 1901.866       155.3399 1889.715       110.6282 281.1620 11.58107 280.7037 8.252412 0.4582825      14.22053 
1 1 1 -5  8   6  o 277.9335 9.761145 1855.401       129.5016 1976.602       155.1842 1577.396       235.0287 286.6424 11.34638 254.3662 19.47459 32.27621       22.53886 
1 1 1 -5  8   7  o 233.9305 11.77349 1318.631       131.2507 1354.618       176.9544 1274.620       195.6896 236.3763 15.74828 228.7531 18.03928 7.623215       23.94627 
1 1 1 -5  8   8  o 291.6156 10.64108 2045.316       148.1072 2054.243       180.1319 2026.687       260.2131 291.8265 12.94313 288.3735 18.97957 3.452972       22.97278 
1 1 1 -5  8   9  o 212.9330 11.83181 1094.045       119.9752 1076.025       142.3044 1138.336       223.0955 210.7318 14.20776 214.8073 22.03574 -4.075500      26.21897 
1 1 1 -5  8   10 o 170.2794 13.01868 702.8373       105.1798 859.9093       134.0267 451.0169       169.7021 188.0461 15.03307 132.6233 27.66117 55.42284       31.48227 
1 1 1 -5  8   11 o 263.4586 11.69265 1674.404       146.9097 1715.845       183.0761 1599.462       246.1966 266.0759 14.44607 255.1396 20.35205 10.93634       24.95787 
1 1 1 -5  8   12 o 379.9687 11.31892 3479.662       205.3888 3531.955       240.1188 3337.088       396.4814 382.2689 13.15821 367.6039 22.67004 14.66498       26.21200 
1 1 1 -5  8   13 f 255.7434 13.36794 1585.137       162.8797 1957.908       214.8069 1080.884       249.8342 283.5247 15.91091 206.9751 25.80702 76.54953       30.31764 
1 1 1 -5  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  8   15 o 227.1814 14.60956 1258.023       157.8374 1525.641       213.3499 934.4659       234.5907 249.0603 18.03986 191.3856 26.33605 57.67464       31.92216 
1 1 1 -5  8   16 o 306.1739 16.11315 2291.957       235.0312 2507.193       317.4275 2030.764       349.6765 317.8323 21.00780 283.0436 26.13575 34.78870       33.53215 
1 1 1 -5  8   17 o 290.7122 16.67817 2072.264       230.8308 2057.293       332.1811 2086.243       320.9943 285.5334 24.57256 288.1877 23.50160 -2.654236      34.00200 
1 1 1 -5  8   18 o 131.4173 29.87685 459.8337       183.4486 694.9442       315.1754 339.3708       225.6021 156.3647 41.48276 112.7951 36.59199 43.56958       55.31540 
1 1 1 -5  8   19 o 149.7480 32.20855 604.9891       223.7390 625.8502       301.9794 579.6006       333.1400 147.9254 41.18643 141.4759 44.30984 6.449478       60.49532 
1 1 1 -5  8   20 f 123.4301 34.13311 420.1305       208.1827 147.7105       280.9331 751.9340       310.0444 94.55179 38.81527 161.9599 40.22396 -67.40810      55.89806 
1 1 1 -5  8   21 o 191.0902 19.86614 918.3846       178.8472 1054.875       301.5009 844.2831       222.1530 196.9067 33.20730 179.6848 26.66809 17.22188       42.59005 
1 1 1 -5  8   22 o 176.0673 18.35727 776.8745       152.2566 1039.025       213.7260 506.7381       216.9571 201.6594 22.55403 134.6324 33.76944 67.02704       40.60862 
1 1 1 -5  8   23 o 185.0578 22.67360 878.5814       196.4163 839.5482       322.5846 901.5783       247.6064 169.0793 40.44998 183.6072 29.18294 -14.52783      49.87830 
1 1 1 -5  8   24 o 175.3643 20.21337 781.4039       166.3712 762.7390       221.7757 805.4277       251.6064 168.5380 28.54135 171.0202 31.94720 -2.482208      42.83961 
1 1 1 -5  8   25 o 87.86601 33.23229 186.5401       191.2526 473.1446       340.5575 54.51172       231.1440 123.3124 44.76196 78.55849 33.86642 44.75394       56.12991 
1 1 1 -5  8   26 o 73.93408 30.89998 78.18748       182.5106 -78.58728      207.7347 608.7040       382.1382 64.65302 29.64879 133.0028 47.52601 -68.34976      56.01583 
1 1 1 -5  8   27 o 189.2814 32.83179 1037.022       286.3398 1306.699       381.9986 691.1740       432.5962 203.9171 40.61068 135.4798 50.23715 68.43739       64.59875 
1 1 1 -5  8   28 o 226.7902 19.85689 1334.933       213.1301 1180.135       287.3748 1524.159       317.7289 202.8343 30.58455 232.3353 29.25133 -29.50098      42.32086 
1 1 1 -5  8   29 o 65.12618 28.82797 19.93577       177.4074 -81.96112      235.0140 154.9225       270.4947 65.61865 30.59238 84.69352 36.57425 -19.07487      47.68196 
1 1 1 -5  8   30 o 102.1677 32.76897 343.7386       181.2586 274.3033       243.6188 429.8394       271.2838 91.40297 36.64459 106.5691 39.73174 -15.16617      54.05032 
1 1 1 -5  8   31 o 75.00919 32.68063 122.4864       219.9187 412.0818       406.5974 2.732600       261.4649 97.52958 43.38060 70.12809 32.54975 27.40149       54.23433 
1 1 1 -5  8   32 o 67.17906 32.18137 -52.96051      295.3357 -801.4197      430.0821 614.9135       406.2698 58.74320 29.79594 101.8633 44.39912 -43.12007      53.47036 
1 1 1 -5  9   1  o 282.8835 8.791431 1920.950       118.7539 0.000000       0.000000 1920.950       118.7539 ?        ?        282.8835 8.791431 0.000000       8.791431 
1 1 1 -5  9   2  o 328.7152 7.825799 2589.711       122.9863 0.000000       0.000000 2589.711       122.9863 ?        ?        328.7152 7.825799 0.000000       7.825799 
1 1 1 -5  9   3  o 329.5949 10.25025 2611.195       161.3226 0.000000       0.000000 2611.195       161.3226 ?        ?        329.5949 10.25025 0.000000       10.25025 
1 1 1 -5  9   4  o 312.3719 8.818583 2342.501       131.5662 0.000000       0.000000 2342.501       131.5662 ?        ?        312.3719 8.818583 0.000000       8.818583 
1 1 1 -5  9   5  o 291.1549 8.211761 2034.376       114.1918 0.000000       0.000000 2034.376       114.1918 ?        ?        291.1549 8.211761 0.000000       8.211761 
1 1 1 -5  9   6  o 281.0552 6.913146 1892.652       92.89144 1755.622       159.7874 1962.604       114.1652 269.7132 12.42511 285.9276 8.360574 -16.21442      14.97607 
1 1 1 -5  9   7  o 38.66484 13.50506 32.08028       30.71709 67.53245       57.00612 17.57542       36.46338 54.50940 18.42047 36.16499 14.28151 18.34441       23.30826 
1 1 1 -5  9   8  o 285.6695 12.54181 1970.996       170.8727 1840.406       232.4323 2124.574       252.0602 274.5883 17.80136 295.0536 17.95377 -20.46530      25.28292 
1 1 1 -5  9   9  o 293.3552 13.21426 2081.858       184.8539 2148.159       251.4367 2003.869       272.7019 296.5769 17.81516 285.5780 20.10196 10.99887       26.86017 
1 1 1 -5  9   10 o 239.8810 12.66232 1392.822       144.7026 1367.785       192.0172 1425.728       220.1328 236.5059 17.09746 240.7651 19.28532 -4.259125      25.77298 
1 1 1 -5  9   11 o 490.3416 12.89708 5814.236       302.0795 5717.952       587.3386 5848.865       352.2387 478.1252 25.78985 490.7944 15.02939 -12.66913      29.84960 
1 1 1 -5  9   12 o 96.97816 28.88033 242.5086       143.8623 362.8891       156.2542 -427.4062      368.6069 117.7657 28.13821 75.06231 35.95633 42.70337       45.65760 
1 1 1 -5  9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  9   14 o 141.2644 15.56425 491.5343       103.3761 460.6118       124.0435 561.8416       187.0412 135.4906 19.72841 146.9695 27.63372 -11.47890      33.95339 
1 1 1 -5  9   15 o 56.21346 24.06913 4.058083       115.2641 -125.7396      161.9747 137.2216       164.0613 54.99165 25.55665 81.67546 30.80417 -26.68381      40.02548 
1 1 1 -5  9   16 o 132.1190 18.57777 437.1406       114.1088 360.2343       146.0299 557.7323       182.8604 117.1292 26.67637 146.2466 27.15263 -29.11739      38.06434 
1 1 1 -5  9   17 o 123.2456 25.11975 395.8414       142.9841 327.3637       228.7760 439.7365       183.1656 110.9549 36.89405 128.0504 30.38014 -17.09547      47.79251 
1 1 1 -5  9   18 o 156.5948 18.67688 613.4880       137.0738 739.6478       172.2666 395.7478       226.3133 170.9514 21.55581 119.7574 36.34994 51.19397       42.26075 
1 1 1 -5  9   19 o 112.5266 30.20475 343.0320       165.8825 266.3391       186.5235 633.1536       362.7824 100.4854 33.31017 144.9206 46.34682 -44.43525      57.07534 
1 1 1 -5  9   20 o 49.73603 23.81441 -198.9951      161.3170 -117.7602      180.5196 -521.0469      359.4311 58.66699 27.16619 68.70246 33.52098 -10.03547      43.14693 
1 1 1 -5  9   21 o 187.9586 18.07407 883.8955       160.4153 1292.021       232.1849 511.1654       221.8883 225.4012 21.81864 134.7478 34.34632 90.65343       40.69058 
1 1 1 -5  9   22 f 156.2643 25.47235 641.5157       183.7501 918.9328       353.2296 538.5924       215.1528 174.9795 42.62410 138.9377 32.90177 36.04182       53.84552 
1 1 1 -5  9   23 o 208.0793 17.97538 1085.803       177.0680 1381.423       258.2967 823.7131       243.2079 231.0653 23.71801 173.7029 30.39254 57.36235       38.55193 
1 1 1 -5  9   24 o 130.4040 24.84011 455.8642       149.2113 607.4980       204.9840 284.9668       217.6154 147.6286 30.06557 101.0297 35.88984 46.59890       46.81900 
1 1 1 -5  9   25 o 174.5573 25.76708 821.1435       208.5793 1000.474       344.0352 716.9176       262.2792 178.3311 41.18336 154.6855 36.12328 23.64558       54.78103 
1 1 1 -5  9   26 o 87.24572 30.70017 207.7112       158.9251 225.0468       209.1677 184.0360       244.4400 91.55556 34.72509 89.22869 36.36826 2.326874       50.28402 
1 1 1 -5  9   27 o 98.84727 34.91758 293.8068       205.7393 -117.8260      367.1302 482.2625       248.4105 79.51518 37.44140 121.6813 38.28391 -42.16613      53.54919 
1 1 1 -5  9   28 o 123.6109 29.95129 461.1983       175.1232 356.6095       238.7931 582.9081       257.5977 103.0122 37.46915 129.7902 38.64405 -26.77804      53.82657 
1 1 1 -5  9   29 o 102.6780 35.67546 367.3553       214.2000 386.3578       242.5498 300.0231       456.5690 103.1885 37.72752 95.28338 43.79094 7.905121       57.80148 
1 1 1 -5  9   30 o 93.00826 39.73471 326.8665       312.8604 509.1994       405.2182 57.76231       492.2852 103.0489 44.63306 84.19167 40.64032 18.85722       60.36345 
1 1 1 -5  9   31 o 70.01924 29.39552 131.2105       166.3035 29.84303       205.6689 322.6695       282.6554 64.43827 29.53194 88.13559 37.71332 -23.69732      47.90021 
1 1 1 -5  10  1  o 244.4930 8.291050 1435.915       96.77329 0.000000       0.000000 1435.915       96.77329 ?        ?        244.4930 8.291050 0.000000       8.291050 
1 1 1 -5  10  2  o 468.3318 9.603992 5269.807       215.0373 0.000000       0.000000 5269.807       215.0373 ?        ?        468.3318 9.603992 0.000000       9.603992 
1 1 1 -5  10  3  o 182.4081 11.79899 804.8754       102.3437 0.000000       0.000000 804.8754       102.3437 ?        ?        182.4081 11.79899 0.000000       11.79899 
1 1 1 -5  10  4  o 198.6202 9.201788 949.6652       87.14092 0.000000       0.000000 949.6652       87.14092 ?        ?        198.6202 9.201788 0.000000       9.201788 
1 1 1 -5  10  5  o 510.7054 8.088144 6259.205       197.4821 0.000000       0.000000 6259.205       197.4821 ?        ?        510.7054 8.088144 0.000000       8.088144 
1 1 1 -5  10  6  o 321.0479 8.341839 2476.196       127.9299 0.000000       0.000000 2476.196       127.9299 ?        ?        321.0479 8.341839 0.000000       8.341839 
1 1 1 -5  10  7  o 70.14191 14.82713 123.6611       48.16358 132.3883       105.6535 121.3717       54.11336 74.75267 25.07659 69.28304 16.56211 5.469627       30.05227 
1 1 1 -5  10  8  o 233.0632 7.727764 1305.142       85.98744 1267.648       153.5268 1322.280       103.7947 228.3161 14.13429 234.3252 9.283421 -6.009171      16.91035 
1 1 1 -5  10  9  o 265.2120 13.21855 1706.359       167.0761 1874.332       225.9811 1503.841       248.1319 276.6265 17.17183 246.0426 21.30395 30.58395       27.36293 
1 1 1 -5  10  10 o 227.3548 13.21903 1255.714       143.0654 1376.837       182.0968 1060.376       231.2491 237.1881 16.15478 205.0410 24.04655 32.14703       28.96918 
1 1 1 -5  10  11 o 158.8216 15.12758 618.7999       113.4792 666.5529       137.0065 514.4528       202.5260 164.1273 17.74199 139.1734 31.20969 24.95392       35.90018 
1 1 1 -5  10  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  10  13 o 479.0977 12.78435 5564.758       292.5652 5525.880       333.0030 5696.307       612.5473 476.3853 14.63852 473.2792 27.18598 3.106079       30.87659 
1 1 1 -5  10  14 o 209.7704 15.77262 1080.309       157.0232 1089.766       216.3399 1069.780       228.2687 208.1246 22.07866 205.4377 23.67354 2.686890       32.37135 
1 1 1 -5  10  15 o 115.0921 27.81148 351.3384       151.3107 304.6659       176.7406 479.4283       292.7944 106.7836 32.06062 130.4599 41.62775 -23.67627      52.54287 
1 1 1 -5  10  16 o 118.1509 22.42802 359.9159       122.0558 248.1067       165.1150 494.6223       181.2349 97.40548 31.27904 136.3603 28.70928 -38.95480      42.45705 
1 1 1 -5  10  17 o 53.29148 21.55303 35.57360       85.07907 51.32958       98.53699 -10.57966      168.6467 58.69204 23.38063 65.05620 28.47561 -6.364159      36.84446 
1 1 1 -5  10  18 o 197.1880 14.14532 954.5773       132.4667 866.0591       167.5612 1102.095       216.3116 185.7520 19.14203 208.2092 22.06608 -22.45726      29.21180 
1 1 1 -5  10  19 o 101.0233 33.42934 274.1967       187.8839 168.8608       229.2222 489.8501       327.9795 90.55540 35.79271 128.6352 44.17030 -38.07980      56.85186 
1 1 1 -5  10  20 o 65.18634 28.20056 9.007242       161.3848 11.50396       240.7890 6.970968       217.4555 77.60732 33.99589 73.98632 32.36076 3.621002       46.93548 
1 1 1 -5  10  21 f 64.70112 28.39023 -7.682539      168.5641 31.41900       253.6534 -38.60775      225.5798 80.45373 35.07456 71.44857 32.00880 9.005157       47.48462 
1 1 1 -5  10  22 o 134.4650 23.79657 477.2031       147.3823 599.7696       183.5079 254.4810       247.3721 149.4453 26.66223 99.39330 37.74817 50.05196       46.21470 
1 1 1 -5  10  23 o 137.4854 24.90022 507.8292       157.6452 569.3363       224.9535 448.4718       220.9875 139.5055 34.03508 122.5870 35.60598 16.91850       49.25619 
1 1 1 -5  10  24 o 121.0117 32.66876 430.8999       193.3783 401.1541       231.0250 500.5203       353.4387 114.4110 37.02225 122.0211 45.37815 -7.610023      58.56470 
1 1 1 -5  10  25 o 174.3542 33.83261 899.3011       271.8426 1803.308       401.3011 132.7017       369.5462 246.4924 35.03908 93.34328 41.44700 153.1491       54.27330 
1 1 1 -5  10  26 o 143.8491 32.22033 620.8668       216.0726 743.9819       258.2635 333.6524       394.4666 154.2607 35.72268 104.2126 44.57159 50.04810       57.12037 
1 1 1 -5  10  27 o 140.9309 42.00037 735.9100       304.1756 948.3555       432.1933 527.3981       428.1733 143.8624 50.62679 111.3267 46.97666 32.53568       69.06431 
1 1 1 -5  10  28 o 105.3538 33.44831 374.2059       189.2314 517.5753       268.6045 232.9329       266.6335 115.6487 39.96206 87.33049 36.97143 28.31818       54.44128 
1 1 1 -5  10  29 o 62.99596 29.49104 -50.05672      222.1166 -336.4677      427.1959 56.05815       260.0281 69.80476 34.54012 72.61198 33.25105 -2.807220      47.94427 
1 1 1 -5  10  30 o 79.39014 30.27741 213.0479       159.5615 28.62163       200.0923 535.1614       264.4377 63.59733 29.13993 108.8765 39.45464 -45.27922      49.04900 
1 1 1 -5  11  1  o 161.3503 11.28432 630.7444       86.49821 0.000000       0.000000 630.7444       86.49821 ?        ?        161.3503 11.28432 0.000000       11.28432 
1 1 1 -5  11  2  o 136.9479 11.08826 455.0215       71.97803 0.000000       0.000000 455.0215       71.97803 ?        ?        136.9479 11.08826 0.000000       11.08826 
1 1 1 -5  11  3  o 369.3571 11.27353 3293.310       198.8411 0.000000       0.000000 3293.310       198.8411 ?        ?        369.3571 11.27353 0.000000       11.27353 
1 1 1 -5  11  4  o 213.6274 12.01760 1105.583       122.2442 0.000000       0.000000 1105.583       122.2442 ?        ?        213.6274 12.01760 0.000000       12.01760 
1 1 1 -5  11  5  o 69.07965 13.85237 119.6562       44.15542 0.000000       0.000000 119.6562       44.15542 ?        ?        69.07965 13.85237 0.000000       13.85237 
1 1 1 -5  11  6  o 87.15505 12.38229 187.1811       50.14412 0.000000       0.000000 187.1811       50.14412 ?        ?        87.15505 12.38229 0.000000       12.38229 
1 1 1 -5  11  7  o 199.5587 9.687581 960.9744       92.14990 0.000000       0.000000 960.9744       92.14990 ?        ?        199.5587 9.687581 0.000000       9.687581 
1 1 1 -5  11  8  o 335.6063 7.293858 2703.587       117.0296 2886.323       204.6166 2614.750       142.6683 345.1934 12.41876 329.5533 9.063713 15.64014       15.37454 
1 1 1 -5  11  9  o 161.0423 13.90187 633.9797       105.9871 799.7657       132.5513 340.0805       176.4856 180.5571 15.50540 113.0147 31.49356 67.54240       35.10359 
1 1 1 -5  11  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  11  11 o 404.6639 10.81895 3956.933       209.1212 4254.502       256.5129 3367.224       361.1055 418.7066 12.82932 368.0807 20.60247 50.62595       24.27042 
1 1 1 -5  11  12 o 189.1909 17.61212 886.4417       157.4719 956.2711       181.5486 674.3016       316.4352 195.7434 19.66599 153.3406 41.95525 42.40285       46.33567 
1 1 1 -5  11  13 o 243.0916 14.55017 1445.488       168.3272 1578.655       205.8447 1176.705       292.4431 252.9944 17.11928 211.7393 29.70483 41.25517       34.28478 
1 1 1 -5  11  14 o 195.3340 17.13041 945.3300       158.3579 895.2097       198.7460 1032.475       262.0681 187.6436 22.60930 198.4520 28.43301 -10.80835      36.32653 
1 1 1 -5  11  15 o 136.1249 17.31149 463.5625       110.1177 516.8101       133.0575 347.8166       196.1744 142.8226 20.03687 112.5237 33.77576 30.29890       39.27185 
1 1 1 -5  11  16 o 158.1917 22.34062 641.5878       164.2635 482.4714       194.4534 1038.034       306.9375 132.7497 31.17415 194.1518 34.32258 -61.40205      46.36666 
1 1 1 -5  11  17 o 146.6005 20.27340 546.8424       138.2932 499.2059       194.7970 595.2486       196.3646 134.9662 30.86220 148.9384 28.61670 -13.97224      42.08790 
1 1 1 -5  11  18 o 231.0989 19.03324 1339.457       208.4278 1073.530       273.1660 1709.994       322.4492 200.4067 29.38299 255.7290 26.77002 -55.32227      39.74913 
1 1 1 -5  11  19 o 114.2759 20.06632 336.0049       105.6326 441.5709       126.0600 87.12260       193.5585 131.0566 20.81425 77.74014 32.09745 53.31647       38.25544 
1 1 1 -5  11  20 o 146.6576 17.09017 541.0117       117.5855 506.1875       141.8586 617.4692       210.1964 139.6061 21.98005 149.5167 30.44129 -9.910568      37.54723 
1 1 1 -5  11  21 o 113.2254 24.49539 345.6606       128.7379 395.7455       136.1028 -79.90364      396.7311 121.4559 24.28830 87.12626 40.31948 34.32967       47.06997 
1 1 1 -5  11  22 f 45.30389 21.78621 -175.0717      138.3309 -222.2299      146.9366 192.5157       410.2341 44.61845 21.69411 101.0002 44.30462 -56.38172      49.33086 
1 1 1 -5  11  23 f 99.35489 28.68156 281.0488       143.7969 301.4394       173.8281 236.8469       255.9326 101.5728 32.03430 94.93143 37.72523 6.641388       49.49131 
1 1 1 -5  11  24 o 82.46552 31.59848 172.3640       174.3252 -184.0275      290.9551 371.9468       217.7328 68.99456 32.73833 109.2521 35.97986 -40.25756      48.64513 
1 1 1 -5  11  25 o 69.68661 28.66820 92.88631       153.6689 -25.45958      214.5469 217.5563       220.2047 66.84715 30.45528 88.27387 35.02098 -21.42673      46.41113 
1 1 1 -5  11  26 o 137.2548 25.06440 538.8434       158.4138 904.9131       210.9102 65.02467       239.9507 178.0324 25.50719 74.17432 33.13688 103.8580       41.81710 
1 1 1 -5  11  27 o 163.4650 28.77678 813.4082       216.6825 789.6637       379.4600 824.8968       263.9476 128.5081 47.15590 154.5166 36.34311 -26.00851      59.53571 
1 1 1 -5  11  28 o 81.00079 32.12875 211.6425       185.2981 205.0384       253.6769 219.1968       271.3133 81.53134 35.31386 82.96664 36.22064 -1.435295      50.58659 
1 1 1 -5  11  29 o 141.2355 36.71642 777.5933       250.1844 758.2976       453.2422 786.0489       300.0346 103.4412 45.91761 128.7866 42.22687 -25.34545      62.38217 
1 1 1 -5  12  1  o 161.3532 10.60736 630.4230       81.37259 0.000000       0.000000 630.4230       81.37259 ?        ?        161.3532 10.60736 0.000000       10.60736 
1 1 1 -5  12  2  o 46.76600 17.76690 38.74970       54.81124 0.000000       0.000000 38.74970       54.81124 ?        ?        46.76600 17.76690 0.000000       17.76690 
1 1 1 -5  12  3  o 102.2527 12.33142 256.4757       59.06744 0.000000       0.000000 256.4757       59.06744 ?        ?        102.2527 12.33142 0.000000       12.33142 
1 1 1 -5  12  4  o 162.9037 11.51973 644.2776       89.13980 0.000000       0.000000 644.2776       89.13980 ?        ?        162.9037 11.51973 0.000000       11.51973 
1 1 1 -5  12  5  o 265.5685 21.42997 1759.964       269.7773 0.000000       0.000000 1759.964       269.7773 ?        ?        265.5685 21.42997 0.000000       21.42997 
1 1 1 -5  12  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  12  7  o 299.5370 17.80706 2210.926       253.8555 0.000000       0.000000 2210.926       253.8555 ?        ?        299.5370 17.80706 0.000000       17.80706 
1 1 1 -5  12  8  o 60.95698 18.64810 92.11625       59.40726 0.000000       0.000000 92.11625       59.40726 ?        ?        60.95698 18.64810 0.000000       18.64810 
1 1 1 -5  12  9  o 82.18961 12.78560 167.5968       48.60668 18.25819       98.92074 215.1305       55.80875 54.08633 22.68659 93.32711 12.84856 -39.24078      26.07234 
1 1 1 -5  12  10 o 321.6668 8.314954 2491.522       127.7645 2632.330       287.3931 2456.839       142.6345 326.0150 18.51482 319.1085 9.359387 6.906494       20.74600 
1 1 1 -5  12  11 o 227.2588 13.06248 1259.711       141.3257 1318.691       180.0267 1164.990       228.1424 231.2305 16.39109 214.3115 22.60673 16.91898       27.92368 
1 1 1 -5  12  12 o 389.5240 11.55646 3681.301       214.9745 3598.254       247.4545 3936.828       434.0618 384.0720 13.49740 394.2562 23.13005 -10.18420      26.78020 
1 1 1 -5  12  13 o 177.7203 18.73236 791.6882       156.7703 682.3951       178.3421 1163.259       328.8355 162.6697 23.62187 205.6466 34.67860 -42.97694      41.95948 
1 1 1 -5  12  14 o 57.97754 23.22493 48.78660       97.77589 78.56715       100.8311 -420.4177      400.2296 63.37337 24.09259 76.84445 36.98030 -13.47108      44.13610 
1 1 1 -5  12  15 o 316.0114 15.20212 2456.948       229.0022 2366.444       292.3077 2600.764       368.4777 306.9457 20.02852 318.1883 24.40886 -11.24255      31.57426 
1 1 1 -5  12  16 o 133.1132 23.45420 462.1474       143.8112 632.0881       200.9067 283.5740       205.9463 153.4989 28.42320 102.5919 35.00767 50.90702       45.09340 
1 1 1 -5  12  17 o 138.1373 20.56791 489.2356       131.6981 490.5844       144.3334 482.5280       321.8655 137.3248 22.78215 126.6258 43.74548 10.69902       49.32234 
1 1 1 -5  12  18 o 154.0597 20.64470 609.7062       148.2330 769.7928       206.5765 439.7809       212.8297 170.0234 26.25839 123.3430 34.66215 46.68037       43.48526 
1 1 1 -5  12  19 o 122.6487 29.74871 423.3254       172.6260 580.0612       324.7667 361.6039       203.8006 133.4850 43.94148 111.1950 34.63138 22.29003       55.94807 
1 1 1 -5  12  20 o 299.4961 18.47580 2275.808       263.2591 2245.901       372.5430 2305.637       372.0667 287.8523 27.40074 292.2496 26.93194 -4.397247      38.42044 
1 1 1 -5  12  21 o 119.6883 20.73126 377.5128       114.3326 413.7576       135.2299 286.6647       214.0955 123.7606 23.71805 99.29176 35.56260 24.46887       42.74628 
1 1 1 -5  12  22 o 73.78236 25.75387 140.8848       111.6940 176.5708       124.8047 -2.698325      250.3420 80.71390 27.25562 74.27269 33.45974 6.441208       43.15580 
1 1 1 -5  12  23 o 83.14085 29.52888 192.9028       147.3060 223.7283       156.3543 -50.53754      439.3912 88.01665 30.48550 86.31859 40.74144 1.698067       50.88449 
1 1 1 -5  12  24 o 173.9497 26.81609 870.7614       215.8541 766.7241       244.4342 1239.244       460.0191 155.3383 33.87059 165.6521 52.09497 -10.31381      62.13778 
1 1 1 -5  12  25 o 69.07478 31.24859 29.23071       221.0243 74.36027       259.6214 -89.60902      421.2993 75.37849 34.00558 78.42416 37.79126 -3.045662      50.83856 
1 1 1 -5  12  26 o 69.00249 29.08178 103.3056       163.7755 190.2927       179.7241 -322.5905      397.6772 79.55103 31.61336 68.49962 33.78850 11.05141       46.27167 
1 1 1 -5  12  27 o 73.11757 31.25098 146.3941       193.6805 371.1237       321.9782 18.97009       242.4498 91.20193 39.64171 67.07161 31.20345 24.13032       50.44919 
1 1 1 -5  12  28 o 67.46010 28.36508 127.5999       155.2238 300.6677       201.6141 -124.3035      243.2370 86.28940 33.73007 58.28727 28.23981 28.00213       43.99096 
1 1 1 -5  13  1  o 163.8120 10.28031 650.1094       80.10597 0.000000       0.000000 650.1094       80.10597 ?        ?        163.8120 10.28031 0.000000       10.28031 
1 1 1 -5  13  2  o 241.9238 11.65230 1419.715       134.3754 0.000000       0.000000 1419.715       134.3754 ?        ?        241.9238 11.65230 0.000000       11.65230 
1 1 1 -5  13  3  o 87.90466 14.81646 193.3289       60.05622 0.000000       0.000000 193.3289       60.05622 ?        ?        87.90466 14.81646 0.000000       14.81646 
1 1 1 -5  13  4  o 284.3274 11.71480 1960.916       158.9025 0.000000       0.000000 1960.916       158.9025 ?        ?        284.3274 11.71480 0.000000       11.71480 
1 1 1 -5  13  5  o 162.1785 10.45051 637.9533       80.59738 0.000000       0.000000 637.9533       80.59738 ?        ?        162.1785 10.45051 0.000000       10.45051 
1 1 1 -5  13  6  o 252.9318 12.91645 1558.567       155.6735 0.000000       0.000000 1558.567       155.6735 ?        ?        252.9318 12.91645 0.000000       12.91645 
1 1 1 -5  13  7  o 191.1087 10.29813 885.0267       93.74332 0.000000       0.000000 885.0267       93.74332 ?        ?        191.1087 10.29813 0.000000       10.29813 
1 1 1 -5  13  8  f 210.0608 11.77403 1073.380       117.7706 0.000000       0.000000 1073.380       117.7706 ?        ?        210.0608 11.77403 0.000000       11.77403 
1 1 1 -5  13  9  o 303.0004 9.413769 2217.804       136.2034 0.000000       0.000000 2217.804       136.2034 ?        ?        303.0004 9.413769 0.000000       9.413769 
1 1 1 -5  13  10 o 124.9083 13.60884 384.8356       79.95555 0.000000       0.000000 384.8356       79.95555 ?        ?        124.9083 13.60884 0.000000       13.60884 
1 1 1 -5  13  11 f 299.2907 7.996206 2158.322       114.3132 2231.123       204.6284 2125.295       137.8244 301.7408 14.22485 296.4240 9.738552 5.316803       17.23908 
1 1 1 -5  13  12 o 164.8408 10.55162 660.4789       82.71907 729.2113       168.4950 638.6535       94.94847 169.1616 21.30577 161.5781 12.38571 7.583542       24.64430 
1 1 1 -5  13  13 o 178.3631 16.25951 790.3173       137.1276 785.1745       149.9020 816.6918       339.4669 177.0547 17.95698 164.6937 42.74607 12.36096       46.36463 
1 1 1 -5  13  14 o 120.7783 18.82856 371.5565       105.1772 337.7849       120.1225 482.5068       217.7275 113.4558 22.93529 130.2951 34.43752 -16.83932      41.37596 
1 1 1 -5  13  15 o 89.96147 29.93366 214.4913       150.5918 452.1207       182.8376 -286.7253      265.5389 127.5658 30.41057 63.41513 30.41444 64.15064       43.00978 
1 1 1 -5  13  16 o 211.4947 17.25802 1123.704       172.9856 1103.490       187.0975 1242.736       454.0294 208.5329 18.97414 192.1805 49.20830 16.35245       52.73969 
1 1 1 -5  13  17 o 280.2233 14.40862 1944.922       192.3864 1887.036       244.2242 2039.585       312.3148 272.6678 18.85072 278.9866 23.63763 -6.318787      30.23388 
1 1 1 -5  13  18 o 71.69633 26.61872 120.4511       121.5223 107.5678       129.8703 211.1084       344.5072 70.64346 27.22071 98.34934 41.84597 -27.70589      49.92046 
1 1 1 -5  13  19 f 156.5375 22.54481 650.0338       163.8639 926.1933       234.0686 384.6030       229.4768 183.1285 27.59083 111.6212 36.94504 71.50725       46.11063 
1 1 1 -5  13  20 o 85.14441 31.54149 193.5019       170.4528 86.04071       289.8948 250.2847       210.7285 84.06805 37.04736 93.86789 35.01347 -9.799835      50.97499 
1 1 1 -5  13  21 o 133.2541 38.29978 590.1437       256.9385 343.8286       359.2431 848.0997       367.6341 103.4930 43.30983 149.2753 46.51645 -45.78233      63.55723 
1 1 1 -5  13  22 f 50.74825 23.97249 -113.9727      152.7094 -180.1021      218.1030 -50.37570      213.8862 57.75337 27.66320 64.33707 29.71363 -6.583706      40.59745 
1 1 1 -5  13  23 o 79.13026 33.52718 155.4129       219.5671 -62.28173      386.0621 259.4946       266.9442 77.59335 37.06815 89.81332 37.44071 -12.21996      52.68638 
1 1 1 -5  13  24 o 124.5237 35.07244 542.8973       217.6437 390.0919       332.7488 657.1494       287.7260 97.75653 41.33951 127.2732 41.32684 -29.51671      58.45394 
1 1 1 -5  13  25 o 72.93387 31.75912 127.5662       207.4516 170.4268       230.0105 -59.34484      480.3262 77.48863 33.59432 77.61022 38.05302 -0.1215897     50.76032 
1 1 1 -5  13  26 o 73.08607 28.39053 170.6993       142.1229 172.5104       149.6370 154.0125       454.2042 73.36342 28.94355 78.91251 38.31614 -5.549088      48.01933 
1 1 1 -5  14  1  o 248.2795 9.551936 1489.699       113.1696 0.000000       0.000000 1489.699       113.1696 ?        ?        248.2795 9.551936 0.000000       9.551936 
1 1 1 -5  14  2  o 142.9488 12.23419 499.6081       82.80801 0.000000       0.000000 499.6081       82.80801 ?        ?        142.9488 12.23419 0.000000       12.23419 
1 1 1 -5  14  3  o 287.2214 12.67996 2009.466       173.6886 0.000000       0.000000 2009.466       173.6886 ?        ?        287.2214 12.67996 0.000000       12.67996 
1 1 1 -5  14  4  o 78.45055 17.91893 157.8973       65.72938 0.000000       0.000000 157.8973       65.72938 ?        ?        78.45055 17.91893 0.000000       17.91893 
1 1 1 -5  14  5  o 193.9739 10.34556 912.3879       95.59428 0.000000       0.000000 912.3879       95.59428 ?        ?        193.9739 10.34556 0.000000       10.34556 
1 1 1 -5  14  6  o 250.6118 11.62291 1526.803       138.8801 0.000000       0.000000 1526.803       138.8801 ?        ?        250.6118 11.62291 0.000000       11.62291 
1 1 1 -5  14  7  o 86.64359 15.51500 189.4179       61.90807 0.000000       0.000000 189.4179       61.90807 ?        ?        86.64359 15.51500 0.000000       15.51500 
1 1 1 -5  14  8  o 54.73687 19.36182 66.68075       63.27606 0.000000       0.000000 66.68075       63.27606 ?        ?        54.73687 19.36182 0.000000       19.36182 
1 1 1 -5  14  9  o 201.3633 10.94582 985.8156       104.9787 0.000000       0.000000 985.8156       104.9787 ?        ?        201.3633 10.94582 0.000000       10.94582 
1 1 1 -5  14  10 o 94.89155 17.39138 229.5487       75.99206 0.000000       0.000000 229.5487       75.99206 ?        ?        94.89155 17.39138 0.000000       17.39138 
1 1 1 -5  14  11 o 402.1550 9.393783 3910.979       180.6102 0.000000       0.000000 3910.979       180.6102 ?        ?        402.1550 9.393783 0.000000       9.393783 
1 1 1 -5  14  12 o 120.6504 13.20332 360.4975       74.91673 499.1871       164.9483 324.4530       84.09026 136.2103 26.28185 113.4872 15.93707 22.72307       30.73640 
1 1 1 -5  14  13 o 301.4033 8.374695 2196.585       120.5602 2105.318       218.9781 2236.282       144.4187 290.8638 15.80657 303.3986 9.969922 -12.53476      18.68815 
1 1 1 -5  14  14 f 155.3593 16.63549 608.5759       121.6396 657.4943       141.6772 471.3939       237.2534 160.4131 18.83182 124.7433 37.07325 35.66978       41.58200 
1 1 1 -5  14  15 o 340.6940 13.48506 2865.253       219.2134 2807.324       248.1778 3070.883       467.5815 335.5200 15.51363 333.4192 29.64177 2.100739       33.45605 
1 1 1 -5  14  16 o 129.5928 20.53591 440.0813       122.9969 403.3658       135.6027 610.4705       292.1222 122.0218 24.09998 136.5919 41.26413 -14.57018      47.78637 
1 1 1 -5  14  17 o 87.69064 31.12287 211.2595       163.6128 253.1333       199.0829 124.1287       287.1762 94.37310 34.22874 87.02458 37.63325 7.348518       50.87109 
1 1 1 -5  14  18 o 49.06505 22.26768 -41.01205      113.3243 -50.24498      119.0247 48.51313       370.6293 49.49231 22.60043 87.35925 39.88800 -37.86694      45.84574 
1 1 1 -5  14  19 o 54.16101 25.09568 -74.65536      154.4193 -147.2240      218.9826 -2.877650      217.7861 60.13787 28.49661 68.76109 31.07117 -8.623226      42.16010 
1 1 1 -5  14  20 o 144.0338 25.62045 593.5101       169.9585 510.3105       242.0411 674.4345       238.7087 120.4905 37.77318 143.4206 35.10290 -22.93006      51.56575 
1 1 1 -5  14  21 f 87.12739 32.73980 240.7652       184.9519 152.7482       211.5716 526.0059       380.8726 78.31674 33.03325 108.3491 44.90712 -30.03233      55.74805 
1 1 1 -5  14  22 o 44.47000 21.09278 -99.60081      120.5390 -54.14607      143.4846 -208.6170      222.2088 52.22253 24.19517 55.54863 26.93153 -3.326096      36.20378 
1 1 1 -5  14  23 o 135.5744 28.04238 576.5867       175.7592 559.3470       248.1706 593.9353       248.9534 117.7521 38.39156 122.0650 38.31474 -4.312881      54.23957 
1 1 1 -5  14  24 o 69.90073 30.23128 128.3068       185.3566 345.1403       240.4947 -188.9657      290.9099 90.19363 36.32227 60.89701 29.80741 29.29662       46.98712 
1 1 1 -5  14  25 f 139.0550 37.75950 810.3242       257.4449 770.8070       432.2564 832.0473       320.4869 100.7284 44.77035 123.4648 43.58333 -22.73643      62.48112 
1 1 1 -5  15  1  o 120.9406 13.96405 362.4185       79.25951 0.000000       0.000000 362.4185       79.25951 ?        ?        120.9406 13.96405 0.000000       13.96405 
1 1 1 -5  15  2  f 318.7975 9.664507 2459.959       147.1300 0.000000       0.000000 2459.959       147.1300 ?        ?        318.7975 9.664507 0.000000       9.664507 
1 1 1 -5  15  3  o 106.9553 14.11294 284.7945       70.40591 0.000000       0.000000 284.7945       70.40591 ?        ?        106.9553 14.11294 0.000000       14.11294 
1 1 1 -5  15  4  o 199.2056 10.52445 964.8585       99.87704 0.000000       0.000000 964.8585       99.87704 ?        ?        199.2056 10.52445 0.000000       10.52445 
1 1 1 -5  15  5  o 61.10107 16.39349 95.65459       48.87801 0.000000       0.000000 95.65459       48.87801 ?        ?        61.10107 16.39349 0.000000       16.39349 
1 1 1 -5  15  6  f 59.31552 15.50559 90.09444       44.45555 0.000000       0.000000 90.09444       44.45555 ?        ?        59.31552 15.50559 0.000000       15.50559 
1 1 1 -5  15  7  o 207.8787 10.11178 1050.671       100.1939 0.000000       0.000000 1050.671       100.1939 ?        ?        207.8787 10.11178 0.000000       10.11178 
1 1 1 -5  15  8  o 161.2088 11.20617 635.7756       85.83064 0.000000       0.000000 635.7756       85.83064 ?        ?        161.2088 11.20617 0.000000       11.20617 
1 1 1 -5  15  9  o 61.95458 19.76956 96.65714       66.03703 0.000000       0.000000 96.65714       66.03703 ?        ?        61.95458 19.76956 0.000000       19.76956 
1 1 1 -5  15  10 o 141.6599 12.52411 495.3476       83.94786 0.000000       0.000000 495.3476       83.94786 ?        ?        141.6599 12.52411 0.000000       12.52411 
1 1 1 -5  15  11 o 56.33130 20.24954 71.83631       69.48445 0.000000       0.000000 71.83631       69.48445 ?        ?        56.33130 20.24954 0.000000       20.24954 
1 1 1 -5  15  12 o 324.8592 14.11982 2615.514       218.7732 0.000000       0.000000 2615.514       218.7732 ?        ?        324.8592 14.11982 0.000000       14.11982 
1 1 1 -5  15  13 o 294.6307 10.44721 2118.963       146.9260 0.000000       0.000000 2118.963       146.9260 ?        ?        294.6307 10.44721 0.000000       10.44721 
1 1 1 -5  15  14 o 205.3976 9.340052 1027.538       91.47765 1064.273       162.0016 1010.342       110.8395 204.9821 16.67475 202.7113 11.48387 2.270859       20.24664 
1 1 1 -5  15  15 o 115.7259 11.98991 333.0480       65.37693 293.5547       125.7034 347.6917       76.54371 102.0279 25.76792 117.5117 13.89283 -15.48386      29.27450 
1 1 1 -5  15  16 o 60.86295 27.37635 -15.88460      166.8547 39.36584       188.2442 -218.4011      360.3994 68.49908 30.03086 73.23863 35.20573 -4.739555      46.27414 
1 1 1 -5  15  17 o 115.6466 23.37387 374.5234       124.7822 423.2771       136.2868 121.7755       310.3085 122.5692 24.11691 83.79159 37.53991 38.77760       44.61917 
1 1 1 -5  15  18 f 85.29972 27.63450 218.6619       128.6946 194.4844       133.9451 509.0477       464.2044 81.04473 28.20820 105.9482 46.77696 -24.90343      54.62404 
1 1 1 -5  15  19 o 85.36205 31.05828 229.3374       164.0867 391.0368       221.8875 34.19001       243.7586 104.1063 36.30154 71.19688 32.44683 32.90945       48.68879 
1 1 1 -5  15  20 o 204.8470 19.39824 1138.135       187.7134 1141.888       250.6408 1133.340       283.2791 193.9018 27.83409 185.3517 33.18627 8.550156       43.31356 
1 1 1 -5  15  21 o 80.40244 28.83179 210.7937       140.7682 187.1575       150.2705 380.1522       402.2424 76.77988 29.35801 90.62619 41.44592 -13.84631      50.79032 
1 1 1 -5  15  22 o 104.7701 26.98874 357.7140       136.0127 213.3776       161.9403 703.3542       250.5989 78.42874 30.34938 130.3316 37.93426 -51.90283      48.58079 
1 1 1 -5  16  1  o 224.2816 10.22549 1224.635       109.3559 0.000000       0.000000 1224.635       109.3559 ?        ?        224.2816 10.22549 0.000000       10.22549 
1 1 1 -5  16  2  o 127.8607 14.69697 408.9038       88.20882 0.000000       0.000000 408.9038       88.20882 ?        ?        127.8607 14.69697 0.000000       14.69697 
1 1 1 -5  16  3  o 197.2591 11.28908 952.1400       106.0197 0.000000       0.000000 952.1400       106.0197 ?        ?        197.2591 11.28908 0.000000       11.28908 
1 1 1 -5  16  4  o 51.28416 20.11096 44.81004       71.86419 0.000000       0.000000 44.81004       71.86419 ?        ?        51.28416 20.11096 0.000000       20.11096 
1 1 1 -5  16  5  o 180.3603 11.97146 799.4047       102.6435 0.000000       0.000000 799.4047       102.6435 ?        ?        180.3603 11.97146 0.000000       11.97146 
1 1 1 -5  16  6  o 127.7165 14.40202 408.1587       86.40678 0.000000       0.000000 408.1587       86.40678 ?        ?        127.7165 14.40202 0.000000       14.40202 
1 1 1 -5  16  7  o 153.4911 12.58317 582.2494       91.52834 0.000000       0.000000 582.2494       91.52834 ?        ?        153.4911 12.58317 0.000000       12.58317 
1 1 1 -5  16  8  o 193.6396 11.50007 920.7350       105.9845 0.000000       0.000000 920.7350       105.9845 ?        ?        193.6396 11.50007 0.000000       11.50007 
1 1 1 -5  16  9  o 61.79590 16.40800 99.30949       49.28293 0.000000       0.000000 99.30949       49.28293 ?        ?        61.79590 16.40800 0.000000       16.40800 
1 1 1 -5  16  10 o 69.25711 15.97273 124.9225       51.80804 0.000000       0.000000 124.9225       51.80804 ?        ?        69.25711 15.97273 0.000000       15.97273 
1 1 1 -5  16  11 o 121.2840 15.15581 373.8947       85.96734 0.000000       0.000000 373.8947       85.96734 ?        ?        121.2840 15.15581 0.000000       15.15581 
1 1 1 -5  16  12 o 49.62157 19.94765 39.13721       72.39504 0.000000       0.000000 39.13721       72.39504 ?        ?        49.62157 19.94765 0.000000       19.94765 
1 1 1 -5  16  13 o 101.6079 19.09356 276.2633       89.34740 0.000000       0.000000 276.2633       89.34740 ?        ?        101.6079 19.09356 0.000000       19.09356 
1 1 1 -5  16  14 o 227.7855 15.20344 1324.297       164.6201 0.000000       0.000000 1324.297       164.6201 ?        ?        227.7855 15.20344 0.000000       15.20344 
1 1 1 -5  16  15 o 144.9964 11.64453 525.5489       80.04300 575.1509       140.9831 501.9550       97.23376 145.1332 20.92199 139.8633 14.76389 5.269913       25.60668 
1 1 1 -5  16  16 o 63.02708 17.78567 107.6456       55.91472 27.27760       200.6701 114.4106       58.22051 66.61240 29.98736 64.83964 18.09595 1.772758       35.02435 
1 1 1 -5  16  17 o 55.40813 20.05763 76.74448       68.31847 104.9743       122.1578 63.89622       82.41175 65.56958 26.06126 54.67123 21.50704 10.89835       33.78967 
1 1 1 -5  16  18 o 65.36599 29.52599 43.93225       196.4484 45.98223       210.3734 29.96699       549.0853 66.74603 30.31076 81.48774 40.09993 -14.74171      50.26675 
1 1 1 -5  16  19 o 70.91624 29.74857 142.8388       170.1143 226.5590       223.2164 26.84289       262.7436 80.04050 33.85373 68.03846 31.92307 12.00204       46.53125 
1 1 1 -5  16  20 o 74.56688 27.18981 183.6969       125.8540 133.7341       144.1854 343.5642       257.9156 67.66347 27.79560 87.19067 36.60612 -19.52721      45.96307 
1 1 1 -5  17  1  o 121.5386 13.10107 369.9454       74.92420 0.000000       0.000000 369.9454       74.92420 ?        ?        121.5386 13.10107 0.000000       13.10107 
1 1 1 -5  17  2  o 45.05808 16.66405 42.61610       47.54230 0.000000       0.000000 42.61610       47.54230 ?        ?        45.05808 16.66405 0.000000       16.66405 
1 1 1 -5  17  3  o 225.2972 12.39401 1258.195       132.9841 0.000000       0.000000 1258.195       132.9841 ?        ?        225.2972 12.39401 0.000000       12.39401 
1 1 1 -5  17  4  o 142.5663 13.03313 508.2869       87.85136 0.000000       0.000000 508.2869       87.85136 ?        ?        142.5663 13.03313 0.000000       13.03313 
1 1 1 -5  17  5  o 105.1623 18.60042 292.1194       90.09653 0.000000       0.000000 292.1194       90.09653 ?        ?        105.1623 18.60042 0.000000       18.60042 
1 1 1 -5  17  6  o 73.20210 21.65302 146.4468       81.08736 0.000000       0.000000 146.4468       81.08736 ?        ?        73.20210 21.65302 0.000000       21.65302 
1 1 1 -5  17  7  o 186.1376 12.24255 862.7075       108.3419 0.000000       0.000000 862.7075       108.3419 ?        ?        186.1376 12.24255 0.000000       12.24255 
1 1 1 -5  17  8  o 61.50716 20.45138 98.85689       70.29810 0.000000       0.000000 98.85689       70.29810 ?        ?        61.50716 20.45138 0.000000       20.45138 
1 1 1 -5  17  9  o 160.9292 12.95823 651.0197       98.85635 0.000000       0.000000 651.0197       98.85635 ?        ?        160.9292 12.95823 0.000000       12.95823 
1 1 1 -5  17  10 o 157.0441 12.40474 618.5205       92.38016 0.000000       0.000000 618.5205       92.38016 ?        ?        157.0441 12.40474 0.000000       12.40474 
1 1 1 -5  17  11 o 45.54713 18.83137 26.28324       66.74854 0.000000       0.000000 26.28324       66.74854 ?        ?        45.54713 18.83137 0.000000       18.83137 
1 1 1 -5  17  12 o 121.2469 17.48153 390.0510       98.41093 0.000000       0.000000 390.0510       98.41093 ?        ?        121.2469 17.48153 0.000000       17.48153 
1 1 1 -5  17  13 o 70.05087 17.96987 134.5273       60.47065 0.000000       0.000000 134.5273       60.47065 ?        ?        70.05087 17.96987 0.000000       17.96987 
1 1 1 -5  17  14 o 83.53613 21.74566 202.3309       87.67949 0.000000       0.000000 202.3309       87.67949 ?        ?        83.53613 21.74566 0.000000       21.74566 
1 1 1 -5  17  15 o 33.34957 14.90219 -11.66720      48.55885 0.000000       0.000000 -11.66720      48.55885 ?        ?        33.34957 14.90219 0.000000       14.90219 
1 1 1 -5  17  16 o 48.20221 20.54216 29.11097       83.25330 0.000000       0.000000 29.11097       83.25330 ?        ?        48.20221 20.54216 0.000000       20.54216 
1 1 1 -5  18  1  o 110.1232 15.30637 314.1010       78.41060 0.000000       0.000000 314.1010       78.41060 ?        ?        110.1232 15.30637 0.000000       15.30637 
1 1 1 -5  18  2  o 42.51023 19.09494 -20.15724      80.86354 0.000000       0.000000 -20.15724      80.86354 ?        ?        42.51023 19.09494 0.000000       19.09494 
1 1 1 -5  18  3  o 133.4627 13.97067 454.4199       87.82346 0.000000       0.000000 454.4199       87.82346 ?        ?        133.4627 13.97067 0.000000       13.97067 
1 1 1 -5  18  4  o 112.4648 16.86743 333.6052       87.89946 0.000000       0.000000 333.6052       87.89946 ?        ?        112.4648 16.86743 0.000000       16.86743 
1 1 1 -5  18  5  o 121.2681 14.37493 378.2924       81.72231 0.000000       0.000000 378.2924       81.72231 ?        ?        121.2681 14.37493 0.000000       14.37493 
1 1 1 -5  18  6  o 66.38369 18.07804 120.4821       58.91139 0.000000       0.000000 120.4821       58.91139 ?        ?        66.38369 18.07804 0.000000       18.07804 
1 1 1 -5  18  7  o 76.26763 22.44236 168.0750       87.29579 0.000000       0.000000 168.0750       87.29579 ?        ?        76.26763 22.44236 0.000000       22.44236 
1 1 1 -5  18  8  o 85.18063 20.99811 207.1421       84.95934 0.000000       0.000000 207.1421       84.95934 ?        ?        85.18063 20.99811 0.000000       20.99811 
1 1 1 -5  18  9  o 114.0853 14.04221 337.7133       74.97612 0.000000       0.000000 337.7133       74.97612 ?        ?        114.0853 14.04221 0.000000       14.04221 
1 1 1 -5  18  10 o 65.69886 20.75378 123.1722       72.93259 0.000000       0.000000 123.1722       72.93259 ?        ?        65.69886 20.75378 0.000000       20.75378 
1 1 1 -5  18  11 f 71.54604 21.86672 151.3219       81.70919 0.000000       0.000000 151.3219       81.70919 ?        ?        71.54604 21.86672 0.000000       21.86672 
1 1 1 -5  18  12 o 58.77753 17.46477 96.10283       52.65667 0.000000       0.000000 96.10283       52.65667 ?        ?        58.77753 17.46477 0.000000       17.46477 
1 1 1 -4  -23 1  o 31.57718 14.34521 -22.66564      47.17495 -22.66564      47.17495 0.000000       0.000000 31.57718 14.34521 ?        ?        0.000000       14.34521 
1 1 1 -4  -23 2  o 122.3006 19.04978 401.2502       107.7584 401.2502       107.7584 0.000000       0.000000 122.3006 19.04978 ?        ?        0.000000       19.04978 
1 1 1 -4  -22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -22 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -22 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -22 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -22 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -22 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -22 7  o 79.56491 30.38729 171.0678       160.8690 171.0678       160.8690 0.000000       0.000000 79.56491 30.38729 ?        ?        0.000000       30.38729 
1 1 1 -4  -22 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -21 1  o 239.7325 12.87104 1410.663       146.9785 1410.663       146.9785 0.000000       0.000000 239.7325 12.87104 ?        ?        0.000000       12.87104 
1 1 1 -4  -21 2  f 95.31038 20.15162 237.8932       88.94930 237.8932       88.94930 0.000000       0.000000 95.31038 20.15162 ?        ?        0.000000       20.15162 
1 1 1 -4  -21 3  o 64.72323 19.76177 107.5826       66.75685 59.15742       139.9444 121.8479       75.95585 66.02452 27.27947 68.63094 21.10295 -2.606415      34.48919 
1 1 1 -4  -21 4  o 58.09629 17.80634 85.67969       54.13270 116.3549       98.83495 72.53417       64.70023 68.94973 24.21446 55.82952 19.59289 13.12021       31.14838 
1 1 1 -4  -21 5  o 91.84133 14.16608 212.9165       60.20295 183.8541       93.35368 233.6087       78.77137 82.63530 22.85901 94.88224 18.02386 -12.24694      29.11003 
1 1 1 -4  -21 6  o 154.5988 11.63611 588.3763       85.37349 735.1538       116.2763 416.7003       125.7524 171.6924 14.29507 125.3945 21.76533 46.29789       26.03994 
1 1 1 -4  -21 7  o 59.17455 20.45103 84.91462       70.34853 78.16119       92.12346 94.36173       108.9576 60.72993 23.04254 65.77348 25.03527 -5.043552      34.02533 
1 1 1 -4  -21 8  o 141.6906 15.71464 507.9196       104.6642 340.9343       182.6732 589.5284       127.7039 106.9620 32.69617 151.5326 17.97735 -44.57061      37.31253 
1 1 1 -4  -21 9  o 130.6459 15.64696 433.1834       95.78976 324.2832       143.5507 520.5969       128.6116 106.4679 27.87831 141.2069 19.57685 -34.73894      34.06543 
1 1 1 -4  -21 10 o 75.97490 23.52341 157.4060       94.18463 128.5237       125.9868 193.9969       141.8065 72.27312 27.04990 83.45467 29.02556 -11.18154      39.67594 
1 1 1 -4  -21 11 o 138.0368 21.91364 515.2070       139.7897 599.3892       236.5063 470.0069       173.3015 136.3676 35.82062 126.1100 29.30376 10.25759       46.27988 
1 1 1 -4  -21 12 o 166.1935 19.23602 729.0793       150.0215 699.2382       259.1802 744.1151       183.9745 144.7936 37.23357 163.6218 24.25147 -18.82826      44.43504 
1 1 1 -4  -20 1  o 304.8054 10.18289 2250.250       148.1808 2250.250       148.1808 0.000000       0.000000 304.8054 10.18289 ?        ?        0.000000       10.18289 
1 1 1 -4  -20 2  o 153.8983 11.80129 578.7052       86.16786 578.7052       86.16786 0.000000       0.000000 153.8983 11.80129 ?        ?        0.000000       11.80129 
1 1 1 -4  -20 3  o 299.0070 8.630665 2158.135       123.2479 2139.734       140.7432 2218.652       255.2414 297.2671 9.917006 298.4130 17.97392 -1.145905      20.52825 
1 1 1 -4  -20 4  o 285.5508 10.52551 1978.109       143.4469 1862.935       178.5652 2187.682       240.8712 275.7578 13.58625 296.8565 17.04352 -21.09866      21.79605 
1 1 1 -4  -20 5  o 128.2256 10.73165 401.2829       65.18559 344.3242       88.09132 470.2184       96.91124 117.1503 16.15815 137.6166 14.97074 -20.46629      22.02746 
1 1 1 -4  -20 6  o 62.19215 19.32038 97.08579       63.47468 184.8629       83.22102 -25.00366      98.14800 84.08043 20.81488 48.04695 21.34558 36.03348       29.81431 
1 1 1 -4  -20 7  o 84.58407 16.81949 183.0407       65.62050 200.7762       146.2267 178.5684       73.42950 87.70443 29.50191 82.95914 18.93277 4.745285       35.05442 
1 1 1 -4  -20 8  f 204.4867 11.32628 1020.700       110.2963 1117.369       164.6747 942.0508       148.5357 211.6333 16.40348 194.3647 16.12987 17.26865       23.00537 
1 1 1 -4  -20 9  o 52.18299 20.69234 43.36018       76.83975 249.1113       184.1777 0.8013842E-05  84.54961 95.34680 33.08364 47.28070 20.43302 48.06610       38.88490 
1 1 1 -4  -20 10 o 150.9835 12.99532 564.0604       92.89288 613.8748       143.8315 528.4129       121.6722 154.1674 19.98408 143.8569 18.09005 10.31044       26.95576 
1 1 1 -4  -20 11 o 84.80512 18.92027 189.1830       74.76048 175.4786       119.8107 197.9213       95.67094 80.89838 26.69198 85.52670 22.93018 -4.628319      35.18885 
1 1 1 -4  -20 12 o 47.12155 20.16757 7.930273       80.86110 301.8578       228.3184 -34.22411      86.46535 101.1784 36.66174 43.29717 19.57003 57.88123       41.55802 
1 1 1 -4  -20 13 o 45.50857 19.87971 -4.760986      81.83730 -140.5686      140.8317 64.47885       100.5579 47.61391 22.64578 59.57734 23.65633 -11.96343      32.74834 
1 1 1 -4  -20 14 f 56.25871 22.15894 59.51859       87.57867 -274.9645      152.4620 224.2411       106.9919 42.74768 21.05433 89.51346 24.35696 -46.76578      32.19543 
1 1 1 -4  -20 15 o 59.45860 23.31667 72.05981       96.60107 -95.71064      212.6471 115.6855       108.4358 62.03496 28.98055 68.11836 25.17138 -6.083405      38.38582 
1 1 1 -4  -19 1  f 100.2277 12.95266 247.6012       60.61635 247.6012       60.61635 0.000000       0.000000 100.2277 12.95266 ?        ?        0.000000       12.95266 
1 1 1 -4  -19 2  o 58.10812 17.48837 83.91186       52.54201 54.76001       80.24189 105.7923       69.51781 55.73877 21.41761 65.25472 20.21053 -9.515957      29.44791 
1 1 1 -4  -19 3  o 56.78982 13.22399 81.42118       35.23138 105.5631       51.62041 60.36887       48.20422 64.42730 16.64211 50.82182 16.93630 13.60548       23.74444 
1 1 1 -4  -19 4  o 236.1091 7.823875 1341.939       88.19478 1353.263       119.5191 1328.402       130.6792 236.4210 10.60106 233.9054 11.72315 2.515594       15.80553 
1 1 1 -4  -19 5  o 88.49229 14.04443 195.3376       57.43550 243.1366       79.08142 141.9776       83.55522 97.98108 17.52541 74.48919 21.96614 23.49189       28.10073 
1 1 1 -4  -19 6  o 90.24997 14.30311 203.4597       59.65885 168.2856       134.3786 212.0946       66.58011 82.53558 28.27519 91.80246 15.73587 -9.266876      32.35898 
1 1 1 -4  -19 7  o 259.8332 11.74297 1641.302       145.4981 1780.341       213.9647 1521.706       198.4417 268.3517 16.76113 247.9838 16.83777 20.36798       23.75807 
1 1 1 -4  -19 8  o 120.9541 14.74462 363.1396       83.50342 176.2543       172.2689 420.5361       95.46897 86.52731 31.76926 129.9879 15.67840 -43.46058      35.42736 
1 1 1 -4  -19 9  o 70.90894 19.25445 129.5828       66.94218 -20.98302      109.2152 220.1899       84.72292 51.38110 22.68700 92.28106 19.79679 -40.89996      30.11001 
1 1 1 -4  -19 10 o 145.4785 16.98042 529.6205       115.8832 681.8530       192.3081 442.8257       145.2080 161.0339 25.85353 129.8870 24.27625 31.14688       35.46465 
1 1 1 -4  -19 11 o 94.68153 21.06782 234.2145       92.90741 149.5222       119.1566 365.5438       148.3805 77.59856 26.62430 116.3039 27.17719 -38.70534      38.04541 
1 1 1 -4  -19 12 o 242.7872 13.28635 1447.750       153.6319 1693.242       251.1550 1300.970       194.2031 257.9898 20.53175 227.5872 17.99476 30.40254       27.30136 
1 1 1 -4  -19 13 o 216.1633 13.43942 1152.438       138.2029 1348.803       205.3862 989.9576       186.8264 230.6383 18.78915 196.5329 20.16948 34.10539       27.56519 
1 1 1 -4  -19 14 o 58.78246 24.00316 48.86576       106.7182 161.2814       142.4357 -94.99947      161.1326 79.92149 28.95724 55.26027 25.61556 24.66121       38.66108 
1 1 1 -4  -19 15 o 61.36693 25.07399 56.40657       116.5408 87.26688       198.6957 40.22257       143.8902 76.13963 32.05790 63.89729 27.11000 12.24233       41.98406 
1 1 1 -4  -19 16 o 143.0832 15.22696 516.4208       102.5642 -49.70522      219.6176 674.3344       115.9899 67.34818 30.73332 163.8160 14.97548 -96.46783      34.18774 
1 1 1 -4  -19 17 o 85.75000 17.76469 193.8290       70.43155 470.3804       135.2092 90.84351       82.50995 132.0061 22.21202 61.36187 22.06503 70.64424       31.30877 
1 1 1 -4  -19 18 o 85.40563 24.77715 207.2638       107.0674 332.4103       192.3163 151.0536       128.8886 102.2667 33.82061 75.24913 27.50368 27.01762       43.59227 
1 1 1 -4  -18 1  o 154.5120 8.571891 575.8935       63.07275 589.3271       81.08029 555.3062       100.3732 155.8701 10.95005 150.5535 14.10941 5.316681       17.85998 
1 1 1 -4  -18 2  o 53.72281 15.23357 72.16670       40.91839 72.71518       52.47685 71.31602       65.35427 54.98220 17.63153 56.49614 19.70124 -1.513935      26.43880 
1 1 1 -4  -18 3  o 93.37017 10.22774 212.6596       44.90963 301.4372       66.88509 139.7771       60.60232 110.8211 12.86270 74.10188 17.40442 36.71924       21.64169 
1 1 1 -4  -18 4  o 86.59272 13.17424 185.7777       52.82287 222.3982       71.47127 141.6941       78.41648 94.10972 16.48553 74.56573 21.06973 19.54398       26.75268 
1 1 1 -4  -18 5  o 85.22472 11.95099 178.9703       47.35788 207.2656       74.36758 159.6685       61.42219 90.45518 17.83073 79.39321 16.71162 11.06197       24.43795 
1 1 1 -4  -18 6  o 139.3657 11.79981 472.8971       77.88291 576.1221       136.3920 422.9541       94.87107 151.8389 19.21855 130.8701 15.46117 20.96881       24.66578 
1 1 1 -4  -18 7  o 98.56115 14.16512 240.7122       64.83237 230.8496       100.4615 247.7512       84.87125 94.45417 22.55816 98.86379 18.63964 -4.409622      29.26272 
1 1 1 -4  -18 8  o 351.0950 11.28325 2982.636       189.1486 3010.371       233.4171 2929.591       322.8057 351.6263 13.91237 343.7305 19.72615 7.895752       24.13866 
1 1 1 -4  -18 9  o 107.9308 11.99181 285.5309       60.83500 452.8424       113.6405 218.3232       72.02441 134.4848 18.13657 93.01968 16.81430 41.46507       24.73168 
1 1 1 -4  -18 10 o 229.6613 11.67399 1281.443       127.7581 1502.867       208.1815 1147.672       161.8112 246.2198 17.80552 215.8622 15.78839 30.35767       23.79726 
1 1 1 -4  -18 11 o 173.4756 11.57948 732.6897       95.48647 694.2742       155.6647 755.8645       120.9051 165.8875 20.03283 175.3005 14.55747 -9.412964      24.76357 
1 1 1 -4  -18 12 o 177.5153 11.77753 768.1207       99.38835 694.9882       161.9648 812.2922       125.8742 165.3891 20.95309 181.6399 14.61833 -16.25073      25.54853 
1 1 1 -4  -18 13 o 63.65260 21.44860 97.27741       77.28899 237.6956       132.5903 25.00813       95.12112 94.36031 27.62925 53.82158 22.38622 40.53872       35.56007 
1 1 1 -4  -18 14 o 150.0966 13.05289 553.6271       92.73634 460.0915       165.9572 596.0947       111.8242 130.8662 27.40512 155.0261 15.28637 -24.15996      31.38015 
1 1 1 -4  -18 15 o 121.8115 15.08496 370.7199       85.97407 252.3348       201.8245 396.9649       95.02727 97.32178 34.56414 125.7121 16.18636 -28.39028      38.16645 
1 1 1 -4  -18 16 o 109.4126 14.36357 299.8464       73.32148 359.2617       133.1627 273.9957       87.83553 115.3430 24.88004 103.0082 18.51632 12.33472       31.01403 
1 1 1 -4  -18 17 o 95.96479 20.48212 243.5930       91.10876 34.59224       138.3346 403.7009       121.0775 62.54797 26.56127 123.8810 21.20527 -61.33307      33.98771 
1 1 1 -4  -18 18 o 62.26535 23.88453 80.38200       99.67423 24.16322       183.6573 103.8545       118.6718 68.27419 29.80359 68.52917 26.11709 -0.2549744     39.62772 
1 1 1 -4  -18 19 o 107.8429 18.34616 303.7757       91.20589 401.5733       321.9084 295.2398       95.10293 110.0235 42.73071 105.7108 19.53717 4.312668       46.98526 
1 1 1 -4  -18 20 o 184.4211 15.14219 861.5906       132.3333 257.3972       246.8372 1105.293       156.7662 93.42133 37.07345 208.4634 15.84824 -115.0421      40.31882 
1 1 1 -4  -17 1  o 256.2639 7.939325 1578.299       97.15277 1680.159       114.5840 1317.808       183.2388 264.1950 9.085264 231.9826 16.63203 32.21243       18.95169 
1 1 1 -4  -17 2  o 148.3336 8.918900 530.8002       62.95766 544.1629       83.26132 512.9594       96.20616 149.7064 11.72659 144.8249 14.07195 4.881500       18.31756 
1 1 1 -4  -17 3  o 173.1868 9.363459 723.5727       77.23985 652.1110       117.5579 777.8569       102.4594 163.1311 15.24998 179.0655 12.03822 -15.93445      19.42886 
1 1 1 -4  -17 4  f 487.5505 10.22365 5725.957       238.3055 5737.675       262.0200 5669.871       573.2381 487.6611 11.23849 475.3524 25.31512 12.30875       27.69764 
1 1 1 -4  -17 5  o 185.4219 9.372459 829.3586       82.81561 745.6268       127.0651 891.1935       109.1938 174.4241 15.39530 191.6921 11.97457 -17.26794      19.50399 
1 1 1 -4  -17 6  o 70.70403 15.27822 126.1713       50.13485 72.02119       67.70294 191.9174       74.60065 57.10808 20.04232 86.89466 18.52368 -29.78658      27.29142 
1 1 1 -4  -17 7  o 277.0452 10.78174 1854.257       142.5338 1918.747       189.3465 1769.926       216.5223 280.7723 14.15132 268.5904 16.94821 12.18198       22.07944 
1 1 1 -4  -17 8  o 55.37223 18.47127 71.65012       57.33521 134.4501       90.70123 29.85463       73.99426 73.57364 23.13129 49.90383 20.12960 23.66981       30.66361 
1 1 1 -4  -17 9  o 367.5034 9.789014 3255.672       171.8390 3751.559       368.5946 3117.965       194.2388 389.5598 19.85644 359.1330 11.32702 30.42688       22.86000 
1 1 1 -4  -17 10 o 284.1287 11.15706 1952.072       151.2614 2273.612       217.1781 1649.151       210.7965 305.3267 14.92315 259.0896 17.11371 46.23706       22.70637 
1 1 1 -4  -17 11 o 187.6521 10.91502 852.8876       97.50069 1031.838       155.6709 737.3743       125.0712 205.0005 16.01032 173.3317 15.24810 31.66875       22.10962 
1 1 1 -4  -17 12 o 166.1388 11.99805 671.5830       94.65740 970.6969       192.0546 575.6090       108.7885 196.8342 20.71907 152.9449 15.07355 43.88937       25.62210 
1 1 1 -4  -17 13 o 29.42446 13.43023 -26.61467      41.96722 -258.8190      110.4722 12.54794       45.36840 34.79832 17.27876 37.96064 15.59254 -3.162312      23.27408 
1 1 1 -4  -17 14 o 124.5848 12.53875 380.7108       73.66933 366.0400       134.8955 386.9460       87.94176 118.1388 24.68039 124.9341 15.02449 -6.795235      28.89389 
1 1 1 -4  -17 15 o 218.7415 12.64296 1167.742       131.6540 1198.255       218.5946 1150.374       164.9203 217.6020 21.28390 215.7361 16.10603 1.865906       26.69098 
1 1 1 -4  -17 16 o 200.5396 11.73424 979.8589       112.0113 947.0190       177.8150 1001.463       144.2235 193.9956 19.43341 201.5223 15.07873 -7.526764      24.59727 
1 1 1 -4  -17 17 o 54.84272 21.75089 46.77750       84.91685 -191.0322      125.6268 246.8444       115.2272 41.88405 20.29313 96.15397 24.87795 -54.26992      32.10488 
1 1 1 -4  -17 18 o 35.18235 16.10577 -37.78431      60.94032 -561.7286      303.0900 -15.71071      62.21077 58.81624 29.10120 38.57621 17.07361 20.24003       33.74000 
1 1 1 -4  -17 19 o 111.6699 16.32163 316.8740       84.56438 387.7786       197.5934 300.9750       93.56618 114.7841 33.76118 107.7585 18.84782 7.025597       38.66597 
1 1 1 -4  -17 20 o 131.7720 19.04456 449.3118       116.5021 249.0012       214.3504 533.2933       138.7919 94.88425 35.32866 142.6585 20.97543 -47.77428      41.08628 
1 1 1 -4  -17 21 o 171.9616 13.65056 737.4473       111.3049 1451.503       238.9912 539.6677       125.7785 234.9908 21.51106 144.3364 18.66380 90.65437       28.47917 
1 1 1 -4  -17 22 o 82.21521 24.02448 188.9068       100.3375 82.05258       388.9989 196.5227       103.8517 88.42588 40.55858 83.66522 24.43971 4.760658       47.35291 
1 1 1 -4  -16 1  o 286.3541 7.913498 1969.245       108.2340 2083.189       169.2779 1890.451       140.7674 293.6344 12.08409 280.0604 10.53214 13.57407       16.02970 
1 1 1 -4  -16 2  o 223.6182 9.196641 1203.650       98.11085 1288.612       127.3829 1079.750       153.8277 230.9322 11.57457 210.4427 15.39600 20.48947       19.26155 
1 1 1 -4  -16 3  f 118.4257 11.05411 340.6816       61.86314 339.4380       94.15236 341.6264       82.06358 116.8655 17.37962 117.8343 14.89954 -0.9688187     22.89208 
1 1 1 -4  -16 4  o 120.6064 9.777010 352.0733       55.89180 430.6332       82.16213 284.4055       76.25400 132.8734 13.10416 107.2527 15.30480 25.62074       20.14834 
1 1 1 -4  -16 5  o 196.7538 9.259250 932.5605       86.85349 919.1971       140.0675 940.9087       110.7068 194.0727 15.21772 197.1648 11.79852 -3.092148      19.25576 
1 1 1 -4  -16 6  o 116.5689 10.31083 329.6069       56.87057 299.9537       85.06054 353.5773       76.47678 109.8254 16.72761 120.1579 13.54874 -10.33255      21.52629 
1 1 1 -4  -16 7  o 272.0040 8.641303 1779.280       112.2307 1934.623       181.2733 1682.723       142.9156 282.4524 13.46270 263.9344 11.35252 18.51804       17.61034 
1 1 1 -4  -16 8  f 317.0981 12.81886 2435.049       193.9347 2601.369       279.9236 2281.530       268.9363 325.7317 18.04562 304.7745 18.54483 20.95724       25.87576 
1 1 1 -4  -16 9  o 268.9649 12.15062 1751.284       155.8402 1745.916       228.0669 1755.985       213.4420 266.5700 18.00100 267.8235 16.75342 -1.253479      24.59092 
1 1 1 -4  -16 10 o 188.8471 10.80717 862.7694       97.16586 843.1453       184.0183 870.3560       114.4164 183.5607 21.36777 189.2481 12.71974 -5.687363      24.86711 
1 1 1 -4  -16 11 o 135.9556 11.87181 449.9656       76.39210 655.9164       123.5529 322.5072       97.19759 163.2862 16.03340 113.2821 18.59109 50.00406       24.54992 
1 1 1 -4  -16 12 o 126.5126 14.27978 393.4417       84.86263 481.9145       175.4871 366.4370       96.95281 135.6815 27.98264 121.2814 17.20295 14.40002       32.84767 
1 1 1 -4  -16 13 o 101.3722 15.45837 255.6664       72.55201 388.2262       118.0028 175.1007       91.99435 123.8627 20.65393 82.57072 22.63362 41.29203       30.64092 
1 1 1 -4  -16 14 o 79.72522 22.14659 162.9676       87.42340 174.4367       172.6602 159.0135       101.3794 87.59178 31.86086 79.32687 24.37811 8.264915       40.11741 
1 1 1 -4  -16 15 o 329.9131 10.46667 2630.129       164.8794 2826.640       312.7559 2554.494       194.0324 337.6421 19.45735 324.3723 12.53546 13.26984       23.14577 
1 1 1 -4  -16 16 o 137.1268 13.96457 462.7423       90.27388 412.2710       126.5904 514.9670       128.7706 126.8363 21.65271 142.9655 19.33498 -16.12922      29.02898 
1 1 1 -4  -16 17 o 29.59970 14.18121 -78.61056      57.39023 -397.4366      244.1040 -59.95645      59.04528 56.31550 27.50917 32.09911 15.08354 24.21639       31.37304 
1 1 1 -4  -16 18 o 171.9450 13.69615 726.1199       111.6593 549.1684       206.2462 799.4893       132.8056 141.6149 31.29695 179.7776 15.60601 -38.16266      34.97208 
1 1 1 -4  -16 19 o 48.73872 20.16623 21.52701       76.62636 16.85356       187.1058 22.46879       83.99301 70.10809 30.34726 50.73062 21.06283 19.37748       36.94048 
1 1 1 -4  -16 20 o 100.3439 27.69878 276.2643       137.2309 390.8979       337.8971 253.6215       150.1737 115.6973 44.07561 96.09784 29.69490 19.59945       53.14552 
1 1 1 -4  -16 21 o 32.80224 15.88053 -117.4764      76.55103 -1361.112      366.4127 -60.71722      78.27843 ?        ?        38.24855 17.77243 0.000000       17.77243 
1 1 1 -4  -16 22 o 174.2740 17.48890 772.5663       143.7474 704.0423       260.2928 802.6356       172.4258 152.1001 36.30112 175.4285 20.97371 -23.32840      41.92455 
1 1 1 -4  -16 23 o 142.4124 16.75295 518.4279       111.8844 762.3762       243.1788 452.9213       126.0141 160.0895 32.87416 130.7380 20.86155 29.35149       38.93475 
1 1 1 -4  -16 24 o 85.18932 30.22904 208.5691       154.3432 -352.9364      416.8815 297.7618       166.1500 73.72889 36.00113 98.77325 31.34004 -25.04436      47.73132 
1 1 1 -4  -15 1  o 98.57468 9.013161 235.1969       42.00718 226.1781       52.30971 251.5750       70.49191 96.24924 11.60152 100.9175 15.07164 -4.668251      19.01972 
1 1 1 -4  -15 2  o 264.9947 11.60964 1694.023       146.7266 1648.304       208.3178 1739.033       206.6971 260.0829 16.84412 267.3466 16.24825 -7.263733      23.40364 
1 1 1 -4  -15 3  o 81.60092 10.69966 162.8651       40.73736 227.1129       61.01852 111.2007       54.71777 96.04556 13.67432 66.42639 17.12164 29.61917       21.91204 
1 1 1 -4  -15 4  o 57.07562 15.05555 81.70200       41.66701 45.88498       54.17023 133.5961       65.20409 48.45481 17.81084 72.67784 18.66838 -24.22303      25.80184 
1 1 1 -4  -15 5  o 491.8174 17.95346 5897.899       421.4355 5711.255       596.8851 6083.439       595.1184 478.7117 26.17969 494.8096 25.24027 -16.09787      36.36547 
1 1 1 -4  -15 6  o 180.1059 9.186736 781.2716       78.84254 754.5458       120.3178 801.3838       104.3745 176.0201 14.42387 181.9269 12.06844 -5.906815      18.80679 
1 1 1 -4  -15 7  o 480.1339 10.37541 5546.320       238.1640 5638.521       265.9630 5173.140       535.0732 483.7531 11.49977 456.3686 24.61497 27.38446       27.16876 
1 1 1 -4  -15 8  o 77.24988 15.83142 149.9491       56.50260 166.7677       86.85370 137.6086       74.39799 80.97884 21.90783 73.79712 20.40380 7.181725       29.93774 
1 1 1 -4  -15 9  o 60.29021 15.37215 91.54345       44.43785 51.00016       87.68353 105.5557       51.54815 56.99688 22.25448 64.67327 16.59171 -7.676395      27.75872 
1 1 1 -4  -15 10 o 129.9176 12.52892 411.2707       76.85567 356.9399       163.6246 426.6506       87.05679 116.7504 29.35041 132.0415 14.00387 -15.29105      32.52007 
1 1 1 -4  -15 11 f 77.64497 14.52118 150.7206       51.92315 106.0025       101.4009 166.6129       60.44951 69.21880 24.50780 81.41262 16.10137 -12.19382      29.32383 
1 1 1 -4  -15 12 o 234.5530 10.14648 1327.203       113.5106 1148.094       194.0359 1420.388       139.9577 215.6127 19.01820 242.1973 12.12558 -26.58463      22.55486 
1 1 1 -4  -15 13 o 447.1973 8.681359 4807.615       185.6074 4837.041       286.7630 4786.400       243.4906 446.6146 13.44549 445.1406 11.45084 1.473969       17.66077 
1 1 1 -4  -15 14 o 214.7369 10.66036 1114.680       109.1006 996.8348       169.1554 1198.621       142.7633 201.0241 17.78393 221.9590 13.51760 -20.93483      22.33817 
1 1 1 -4  -15 15 o 90.16274 18.18853 206.0810       75.69528 239.2565       101.3542 164.2381       113.8266 96.32935 22.42830 81.17033 25.96104 15.15903       34.30750 
1 1 1 -4  -15 16 o 58.16520 20.76756 73.03409       72.95255 56.97939       95.78280 95.21432       112.5822 59.41495 23.24184 68.64204 25.59457 -9.227097      34.57261 
1 1 1 -4  -15 17 o 46.42880 18.03506 34.57611       57.35161 -76.24971      99.79701 89.22623       70.07975 43.69322 20.22069 61.34243 20.42023 -17.64921      28.73781 
1 1 1 -4  -15 18 o 318.1354 12.80907 2462.556       194.4237 2153.079       247.2802 2963.626       314.6470 295.1327 17.60524 345.4132 19.12826 -50.28052      25.99682 
1 1 1 -4  -15 19 o 108.2856 23.78810 307.3619       119.7784 78.99426       196.5208 442.3382       151.0845 78.05009 32.29487 129.8294 25.25036 -51.77934      40.99438 
1 1 1 -4  -15 20 o 339.4999 15.03575 2831.626       243.4413 2849.776       371.9557 2818.025       321.9823 334.2657 23.42332 335.0882 20.19223 -0.8224487     30.92537 
1 1 1 -4  -15 21 o 146.1730 15.95519 532.4919       109.6924 626.8693       236.0609 506.5013       123.8790 149.3251 33.85006 141.4267 18.78552 7.898407       38.71333 
1 1 1 -4  -15 22 o 197.7239 16.50729 978.0232       154.6201 1005.175       390.3156 972.9691       168.3967 176.1927 45.88850 196.3124 18.14762 -20.11972      49.34664 
1 1 1 -4  -15 23 o 152.0158 16.82378 585.0573       120.2263 167.4150       535.5638 607.2207       123.3752 105.8203 48.17510 154.8370 16.94278 -49.01663      51.06759 
1 1 1 -4  -15 24 o 92.83080 27.80736 242.4939       133.0717 441.5366       389.8694 216.2472       141.5739 115.3757 46.32202 88.15726 29.01180 27.21841       54.65724 
1 1 1 -4  -15 25 o 58.46944 22.14050 74.12940       84.95044 -328.0714      414.1904 91.79135       86.79562 75.33310 36.58078 62.06523 22.58762 13.26787       42.99249 
1 1 1 -4  -15 26 o 48.26835 20.66352 13.94274       84.92556 -912.3396      430.1128 51.52008       86.63106 61.71596 31.12660 54.32421 21.82692 7.391750       38.01683 
1 1 1 -4  -14 1  o 458.4305 7.528634 5035.421       165.0053 5290.688       235.5957 4789.647       231.1727 469.3918 10.49841 446.5486 10.82828 22.84320       15.08205 
1 1 1 -4  -14 2  o 205.7461 9.284693 1017.629       91.09344 995.9857       117.8268 1049.786       143.6198 203.1272 12.18906 208.1454 14.52353 -5.018265      18.96065 
1 1 1 -4  -14 3  o 29.78168 12.50441 2.895221       30.09842 -48.95564      70.28223 14.54029       33.30724 37.66108 17.26133 34.19044 13.60212 3.470642       21.97661 
1 1 1 -4  -14 4  o 293.2314 9.636836 2066.292       134.9159 1997.139       160.3862 2233.645       249.5050 287.9213 11.67580 303.1555 17.28659 -15.23413      20.86027 
1 1 1 -4  -14 5  o 125.5399 10.58163 381.3925       62.91933 465.1527       97.90722 322.4634       82.12228 137.9529 15.09075 114.5109 15.38976 23.44193       21.55402 
1 1 1 -4  -14 6  f 57.67530 14.89862 83.40783       41.36992 3.426807       87.02847 106.7572       47.02245 49.53213 21.05208 65.15957 15.34895 -15.62744      26.05341 
1 1 1 -4  -14 7  o 209.8053 10.14256 1060.364       101.4341 1230.539       149.4611 915.0576       138.1095 225.3169 13.94309 193.9445 15.01169 31.37241       20.48806 
1 1 1 -4  -14 8  o 294.9308 10.37906 2094.227       146.1198 2180.071       186.6362 1958.280       234.8695 300.3116 13.03017 283.3431 17.42252 16.96851       21.75614 
1 1 1 -4  -14 9  o 360.7805 9.628967 3130.173       165.9368 3592.500       354.2006 3000.171       187.8233 383.1000 19.40193 352.8436 11.14819 30.25647       22.37671 
1 1 1 -4  -14 10 o 285.7555 11.93585 1971.622       162.7043 2194.113       237.3709 1774.452       223.4563 300.1036 16.60905 269.5240 17.43505 30.57959       24.07990 
1 1 1 -4  -14 11 o 73.72802 17.46786 137.5111       60.62090 80.11829       149.5152 148.8019       66.31631 72.82932 28.86903 76.62752 18.34560 -3.798195      34.20499 
1 1 1 -4  -14 12 o 310.1975 9.494615 2315.343       140.6411 2500.471       279.7272 2252.713       162.7010 319.5402 18.38818 305.5872 11.15517 13.95297       21.50727 
1 1 1 -4  -14 13 o 111.7623 15.35454 308.5760       79.87654 294.9266       116.0180 320.8766       110.1363 107.2511 23.29463 112.4998 21.25593 -5.248680      31.53497 
1 1 1 -4  -14 14 o 104.8032 15.22047 272.0331       74.03433 269.6532       98.40152 275.1375       112.3876 102.9785 20.70554 103.4363 23.28931 -0.4578018     31.16266 
1 1 1 -4  -14 15 o 124.4839 13.95960 380.2127       81.65009 323.2440       111.3259 446.5326       120.1157 112.6891 21.44688 133.5787 19.37320 -20.88965      28.90138 
1 1 1 -4  -14 16 o 45.01615 17.55128 31.32337       54.47477 -113.7956      92.53661 108.2850       67.38893 38.49873 18.32359 65.90454 19.79917 -27.40581      26.97705 
1 1 1 -4  -14 17 o 63.89836 20.10252 100.0517       68.49297 169.9532       162.6705 84.98862       75.51297 86.17844 30.98261 61.20510 21.18668 24.97334       37.53395 
1 1 1 -4  -14 18 o 275.6759 12.36687 1842.727       162.5773 2070.652       238.2874 1644.226       222.3746 290.3647 17.24285 258.2664 18.12487 32.09824       25.01653 
1 1 1 -4  -14 19 o 213.5003 11.79300 1106.172       119.9060 1118.142       186.0623 1097.670       156.8106 212.3689 18.51041 211.4919 15.61883 0.8770142      24.21948 
1 1 1 -4  -14 20 o 31.63329 15.11605 -84.45459      64.29206 -1.769581      203.3723 -93.63550      67.76745 71.82840 31.35865 32.05404 15.37112 39.77436       34.92329 
1 1 1 -4  -14 21 f 50.58018 20.04787 37.80377       72.09779 165.1635       216.4115 21.90336       76.46603 89.37701 34.94335 48.89826 20.18028 40.47876       40.35197 
1 1 1 -4  -14 22 f 133.4811 19.72562 453.3475       122.0939 345.9993       227.5220 496.7619       144.6916 111.5305 36.78208 138.6047 22.61422 -27.07419      43.17782 
1 1 1 -4  -14 23 o 212.6379 15.50229 1120.271       156.5133 976.1778       391.2495 1147.723       170.7729 175.7799 46.02334 214.6011 16.77808 -38.82114      48.98624 
1 1 1 -4  -14 24 f 95.80321 28.88741 254.7415       143.2614 342.4159       659.3748 250.3977       146.7674 119.3584 53.98690 95.00719 29.35590 24.35122       61.45205 
1 1 1 -4  -14 25 o 61.60109 22.74402 85.10785       88.49831 -208.4418      685.1089 90.08912       89.24603 99.38301 47.96595 62.64389 22.88800 36.73912       53.14690 
1 1 1 -4  -14 26 o 144.3049 18.06050 536.9476       121.8792 652.2554       599.9250 531.9836       124.4750 124.6494 54.14622 143.3181 18.60526 -18.66870      57.25355 
1 1 1 -4  -14 27 o 69.69004 27.34845 110.5544       132.9774 -175.3435      270.9132 201.3001       152.6292 65.56563 31.24719 84.02626 30.03464 -18.46063      43.34128 
1 1 1 -4  -13 1  o 563.3876 9.932237 7610.699       267.5240 7124.312       728.1168 7686.607       287.6430 538.5231 28.38077 566.0644 10.62869 -27.54132      30.30573 
1 1 1 -4  -13 2  o 562.8858 9.968444 7598.223       268.2601 7197.551       730.9604 7660.587       288.3828 541.0497 28.35744 565.0583 10.67500 -24.00861      30.30017 
1 1 1 -4  -13 3  o 453.3653 7.556971 4922.799       163.7964 4917.260       234.3333 4928.092       229.0435 452.6513 10.82834 453.1916 10.57128 -0.5402222     15.13291 
1 1 1 -4  -13 4  o 47.92026 14.57387 55.52932       36.35481 37.99309       74.34618 61.04023       41.67757 51.92709 20.42751 50.44092 15.65316 1.486176       25.73528 
1 1 1 -4  -13 5  o 256.3564 9.572143 1578.510       117.1111 1542.189       144.8035 1647.190       199.1212 253.0380 12.00397 260.7723 16.04933 -7.734283      20.04186 
1 1 1 -4  -13 6  o 457.6967 9.729008 5026.380       212.8897 5124.483       236.5918 4609.034       487.9839 461.9590 10.71243 433.7463 23.62128 28.21262       25.93687 
1 1 1 -4  -13 7  o 276.0511 8.389907 1828.657       110.5989 1891.002       173.5385 1786.014       143.5226 279.9752 13.00036 272.4252 11.04245 7.549927       17.05711 
1 1 1 -4  -13 8  o 94.73667 13.13046 220.2178       57.87434 190.0104       130.6732 227.5891       64.55054 87.99115 27.77777 96.07819 14.50424 -8.087044      31.33652 
1 1 1 -4  -13 9  o 304.4851 8.574733 2225.803       124.6988 2535.466       197.5041 2020.535       160.8023 324.1623 12.76896 289.5597 11.63943 34.60263       17.27781 
1 1 1 -4  -13 10 o 123.6602 11.36825 371.0199       66.45811 523.0408       107.4489 276.8318       84.57620 146.2040 15.61353 105.4739 17.37700 40.73002       23.36113 
1 1 1 -4  -13 11 o 259.8402 11.94260 1629.959       147.9621 1657.902       215.2413 1604.924       203.7327 260.6504 17.37180 256.6349 16.69554 4.015472       24.09400 
1 1 1 -4  -13 12 o 295.8971 12.81734 2116.512       180.8904 2088.438       261.3909 2142.313       250.5864 292.0569 18.82057 296.1891 17.77803 -4.132172      25.88962 
1 1 1 -4  -13 13 o 54.53998 21.35836 45.17505       80.96179 -125.5032      143.6776 124.5851       98.00262 51.28189 23.91224 72.56681 24.14788 -21.28492      33.98404 
1 1 1 -4  -13 14 o 270.4318 10.28899 1762.143       132.7841 1805.219       226.7863 1739.673       163.7954 271.6960 17.55317 268.1160 12.81533 3.580017       21.73353 
1 1 1 -4  -13 15 o 86.61260 21.49395 191.7785       88.58057 50.11973       146.6204 273.2030       111.1604 68.45953 28.06566 103.2145 23.10394 -34.75500      36.35207 
1 1 1 -4  -13 16 o 211.1331 11.81841 1079.095       118.8192 851.4304       174.2116 1277.115       162.4734 185.2144 19.99035 228.9279 14.92622 -43.71342      24.94807 
1 1 1 -4  -13 17 o 136.4212 13.81753 455.5323       88.87849 401.0233       168.9991 476.3727       104.4966 123.4448 29.11158 138.9950 16.01772 -15.55015      33.22728 
1 1 1 -4  -13 18 o 68.34902 18.47303 118.4809       61.79000 230.0092       105.8994 60.91239       76.08400 94.28821 23.56076 56.25399 21.02764 38.03421       31.57960 
1 1 1 -4  -13 19 o 301.2146 10.82045 2191.767       155.5691 2133.849       275.5783 2218.858       188.4727 293.6592 19.74351 302.3512 13.06939 -8.691986      23.67731 
1 1 1 -4  -13 20 o 234.6701 12.89466 1338.342       144.1132 1411.554       231.9348 1292.301       183.9277 238.0788 20.57867 229.2432 16.90077 8.835648       26.62927 
1 1 1 -4  -13 21 o 63.12585 21.57076 92.90682       78.19656 175.2914       215.6951 80.44057       83.90449 91.35053 35.11139 61.34348 22.22508 30.00705       41.55434 
1 1 1 -4  -13 22 f 301.5080 12.41598 2211.665       178.5904 2651.596       431.1759 2120.563       196.2125 318.7432 28.59835 294.5378 13.97390 24.20538       31.82979 
1 1 1 -4  -13 23 o 107.0817 19.70940 294.1251       97.18449 43.93110       372.2793 312.4224       100.6755 94.82002 41.87581 110.4079 19.80025 -15.58791      46.32098 
1 1 1 -4  -13 24 o 339.6661 15.91371 2849.718       257.7052 3601.186       489.0464 2560.832       303.2205 370.0777 27.84491 319.0034 19.98213 51.07431       34.27279 
1 1 1 -4  -13 25 o 274.1039 13.78206 1850.666       180.0288 2807.292       465.0177 1682.007       195.2550 320.1635 30.75806 260.0940 15.77650 60.06955       34.56814 
1 1 1 -4  -13 26 f 120.2924 19.84822 377.2906       110.1704 106.5845       434.1319 395.9241       113.8989 97.34677 43.93955 123.1977 20.02492 -25.85089      48.28749 
1 1 1 -4  -13 27 o 63.72489 27.17794 38.41447       145.9223 101.2707       447.6680 30.94201       154.3525 96.03454 43.84485 64.26958 27.69039 31.76495       51.85681 
1 1 1 -4  -13 28 o 140.7225 25.36224 553.5682       164.3562 1065.869       465.9486 480.7692       175.6461 155.9016 52.66345 127.7482 29.37343 28.15340       60.30122 
1 1 1 -4  -13 29 o 90.03101 24.28758 232.2634       106.9300 60.27390       399.9574 245.5032       110.9694 85.44075 39.85881 92.36710 24.66503 -6.926346      46.87311 
1 1 1 -4  -12 1  o 356.9982 7.424540 3050.765       126.7196 3016.566       180.5014 3084.001       177.9433 354.5739 10.66004 358.5517 10.39154 -3.977814      14.88693 
1 1 1 -4  -12 2  o 331.7188 8.951151 2637.646       141.8274 2421.150       286.0123 2708.241       163.3219 316.2482 19.00451 335.9971 10.17892 -19.74884      21.55879 
1 1 1 -4  -12 3  o 647.4181 22.50888 10163.57       695.6423 9690.491       984.0485 10636.15       983.5252 627.1022 32.93785 657.9746 31.35592 -30.87244      45.47632 
1 1 1 -4  -12 4  o 478.1281 9.894428 5479.159       226.1744 5485.769       248.0131 5446.508       551.2250 478.2892 10.84615 472.9226 24.46296 5.366638       26.75959 
1 1 1 -4  -12 5  o 488.6158 9.642406 5722.192       225.2482 5306.671       561.5728 5801.860       245.8952 466.2884 25.28547 491.8912 10.45617 -25.60287      27.36213 
1 1 1 -4  -12 6  o 60.18265 14.93832 90.60043       42.77984 161.8444       56.06615 -8.679811      66.18478 80.72389 15.08192 41.67863 18.04511 39.04527       23.51788 
1 1 1 -4  -12 7  o 160.3512 10.16810 619.1927       77.54932 658.6951       117.2317 588.4575       103.4073 164.7121 15.05336 155.7740 14.03543 8.938171       20.58147 
1 1 1 -4  -12 8  o 208.3221 10.92985 1044.657       108.4765 1054.070       158.4020 1036.343       148.8602 208.4385 16.01827 206.8275 15.15965 1.610992       22.05448 
1 1 1 -4  -12 9  o 431.0137 10.01611 4457.996       206.3947 4722.206       473.8943 4396.147       229.2830 439.5901 22.62501 427.6577 11.22388 11.93246       25.25602 
1 1 1 -4  -12 10 o 150.5718 11.22923 547.7861       80.25340 469.5176       122.9355 605.9117       105.9419 137.8380 19.17355 157.9272 14.18232 -20.08916      23.84876 
1 1 1 -4  -12 11 o 165.7039 12.03481 664.1048       94.69124 571.7780       158.1409 715.7090       118.2288 151.3838 22.53631 171.6091 14.54729 -20.22531      26.82366 
1 1 1 -4  -12 12 o 32.11493 14.62887 -31.05465      49.47416 -42.17306      146.4502 -29.62231      52.56443 58.96475 26.14174 33.55993 15.20489 25.40482       30.24201 
1 1 1 -4  -12 13 f 317.1060 9.944184 2418.881       150.5722 2327.894       279.4669 2456.096       178.7326 308.5116 19.04021 319.1483 11.73391 -10.63669      22.36547 
1 1 1 -4  -12 14 o 335.4601 10.19053 2708.430       163.2458 2883.958       314.9432 2643.947       190.8909 343.2175 19.27091 330.9824 12.08375 12.23511       22.74610 
1 1 1 -4  -12 15 o 139.0058 12.71808 470.0943       83.58513 531.6870       115.2546 401.7593       121.3991 147.0345 16.69069 126.5034 20.79456 20.53117       26.66445 
1 1 1 -4  -12 16 o 286.4624 10.51876 1977.712       143.8144 2182.209       252.5730 1879.603       174.9434 298.7264 17.76523 278.6102 13.17114 20.11621       22.11521 
1 1 1 -4  -12 17 o 86.35355 16.03946 186.8037       63.78128 104.8510       102.5070 238.5750       81.47346 69.19425 24.62689 97.37199 18.16957 -28.17773      30.60420 
1 1 1 -4  -12 18 o 341.1708 11.88311 2813.398       193.5293 2771.658       242.6759 2886.320       320.7608 337.4970 15.07809 342.3219 19.68217 -4.824860      24.79388 
1 1 1 -4  -12 19 o 71.78849 22.21224 128.1056       83.99409 219.5883       113.3332 16.62427       125.1091 92.12418 25.06880 59.98344 25.35635 32.14074       35.65654 
1 1 1 -4  -12 20 o 67.75582 20.01147 115.2452       69.30203 200.5498       123.8019 76.31569       83.63346 88.50412 26.88957 60.66991 22.15821 27.83421       34.84300 
1 1 1 -4  -12 21 o 220.9030 13.35760 1187.399       140.4120 1210.583       237.9316 1175.011       173.9271 219.3469 23.03200 218.6439 16.76670 0.7029419      28.48851 
1 1 1 -4  -12 22 o 275.2104 11.69833 1835.338       153.5697 1485.422       255.6826 2032.809       192.0750 243.2065 22.23534 288.8524 13.94994 -45.64586      26.24903 
1 1 1 -4  -12 23 o 157.8278 14.09632 611.9891       105.2462 441.6423       173.6309 710.9300       132.3268 128.3514 28.98342 169.3720 16.55277 -41.02065      33.37713 
1 1 1 -4  -12 24 o 60.34102 22.63322 72.91274       88.30373 -345.5361      384.2353 96.24580       90.73228 77.82250 37.12317 65.14511 23.17106 12.67739       43.76102 
1 1 1 -4  -12 25 o 285.5229 12.88866 1991.589       175.4834 2589.081       339.6375 1773.997       204.9609 318.9344 22.41718 267.8365 16.08043 51.09790       27.58822 
1 1 1 -4  -12 26 o 170.7770 15.34564 725.3044       123.9572 1241.599       282.8309 602.5546       137.9077 215.0474 28.18754 153.8655 19.16135 61.18182       34.08364 
1 1 1 -4  -12 27 o 50.37095 21.29211 16.87213       88.21156 -154.0022      261.0088 38.90602       93.72652 67.84737 31.82835 54.82060 22.45280 13.02677       38.95090 
1 1 1 -4  -12 28 o 120.7555 27.64797 411.5943       156.1678 967.5571       384.0084 301.4246       170.9421 165.4110 46.58628 101.3667 31.73923 64.04428       56.37074 
1 1 1 -4  -12 29 o 87.72476 23.86954 214.9238       102.7544 -21.61877      284.5040 250.4080       110.1924 75.42300 34.62830 94.50690 24.26504 -19.08391      42.28370 
1 1 1 -4  -12 30 o 73.85928 23.60074 152.0301       94.08671 -295.6264      177.2489 327.6479       111.0185 46.03497 22.67880 108.7645 22.10458 -62.72951      31.66924 
1 1 1 -4  -11 1  o 409.3389 9.302782 4013.122       182.0557 3912.886       415.0112 4037.007       202.5891 401.9166 21.67833 410.3335 10.33514 -8.416870      24.01593 
1 1 1 -4  -11 2  o 259.6670 8.669621 1616.316       107.4771 1709.790       131.0242 1424.054       187.9114 266.9295 10.28632 242.8174 16.28104 24.11209       19.25826 
1 1 1 -4  -11 3  o 348.5588 13.58347 2920.780       225.9243 2874.961       319.8830 2966.383       319.1287 344.7766 19.48571 350.3057 19.12764 -5.529053      27.30494 
1 1 1 -4  -11 4  o 184.8516 8.355542 819.8053       73.65157 884.4833       107.6697 762.9250       100.9709 191.6859 11.80612 177.9591 11.93676 13.72685       16.78901 
1 1 1 -4  -11 5  o 129.1793 9.646493 401.9996       59.14577 379.9729       85.02527 422.6517       82.32938 124.9383 14.50377 132.0425 13.21921 -7.104248      19.62414 
1 1 1 -4  -11 6  f 292.7927 9.056240 2055.383       126.6176 1967.144       238.7500 2089.912       149.3506 285.2451 17.59281 295.0824 10.60381 -9.837311      20.54136 
1 1 1 -4  -11 7  o 720.9666 11.23736 12466.08       387.3361 12476.07       409.8558 12382.58       1184.829 721.1151 11.88826 707.6915 35.12877 13.42358       37.08586 
1 1 1 -4  -11 8  o 288.4162 10.12089 1996.549       139.3391 2151.991       178.8295 1756.353       222.2994 299.1308 12.53235 269.3930 17.35241 29.73785       21.40481 
1 1 1 -4  -11 9  o 159.5112 11.81216 614.1047       89.44086 709.2161       149.1073 560.6484       111.7846 170.3706 18.60831 151.7991 15.62591 18.57149       24.29894 
1 1 1 -4  -11 10 o 59.07397 17.97458 84.70615       55.29168 142.1427       136.8204 73.49520       60.44745 80.77409 28.47998 56.74492 18.96672 24.02916       34.21762 
1 1 1 -4  -11 11 o 491.9034 10.59176 5808.229       249.0901 5941.041       279.0959 5288.283       552.2217 497.2598 11.73983 464.3787 24.96504 32.88107       27.58762 
1 1 1 -4  -11 12 o 230.4044 10.26281 1276.940       112.7649 1129.530       184.9637 1364.142       142.2608 215.2018 18.14656 237.7971 12.55777 -22.59540      22.06797 
1 1 1 -4  -11 13 o 121.4139 12.97866 359.0075       74.16955 420.8806       100.1157 283.7380       110.4234 130.9266 16.34969 105.8289 22.51712 25.09771       27.82684 
1 1 1 -4  -11 14 o 288.4960 8.623513 1998.713       118.8077 1975.500       166.9355 2022.540       169.1248 286.1524 12.23055 289.5421 12.24529 -3.389679      17.30703 
1 1 1 -4  -11 15 o 253.1494 10.35876 1543.396       125.1050 1493.413       206.2750 1572.479       157.3476 247.2870 17.56192 254.9973 12.94912 -7.710297      21.81973 
1 1 1 -4  -11 16 o 249.9004 10.58628 1505.144       126.1926 1465.496       205.4422 1529.167       159.9171 244.7990 17.67278 251.2861 13.35924 -6.487030      22.15393 
1 1 1 -4  -11 17 o 385.8677 10.41183 3585.026       191.9009 3476.543       389.7817 3619.733       220.4721 375.4379 21.80965 387.3002 11.92106 -11.86237      24.85503 
1 1 1 -4  -11 18 o 180.7435 13.04082 793.3944       111.9299 727.9847       193.2213 826.4295       137.3161 169.7292 24.52171 183.8302 15.77656 -14.10103      29.15843 
1 1 1 -4  -11 19 o 424.1205 16.06139 4380.875       325.0839 4531.573       465.5533 4237.478       454.1353 427.3500 22.86978 413.0690 23.08798 14.28098       32.49741 
1 1 1 -4  -11 20 o 164.0884 13.91088 657.2641       108.1017 855.2071       155.2673 471.0485       150.5975 186.2442 17.64824 135.7219 24.09152 50.52232       29.86405 
1 1 1 -4  -11 21 o 55.19439 21.15233 53.40049       78.12515 -129.4733      207.0337 83.76487       84.36214 63.71887 29.35839 62.27927 22.32150 1.439606       36.88041 
1 1 1 -4  -11 22 o 226.9057 12.59113 1250.272       136.0542 1073.054       208.6590 1381.344       179.4475 207.0842 21.38284 237.4621 15.89806 -30.37793      26.64534 
1 1 1 -4  -11 23 o 259.4856 13.02422 1636.758       161.0582 1717.312       242.1819 1572.881       215.6595 263.2018 19.38212 252.4654 17.98506 10.73639       26.44105 
1 1 1 -4  -11 24 o 187.6254 14.91350 864.9561       132.6765 687.1158       201.1266 1001.966       176.5351 162.1688 26.88236 200.5650 18.62332 -38.39619      32.70304 
1 1 1 -4  -11 25 f 75.17468 23.32925 144.0517       92.57571 -103.3311      249.8177 183.4312       99.67202 71.40493 32.65814 83.78423 23.78144 -12.37930      40.39939 
1 1 1 -4  -11 26 o 150.8125 16.53844 567.6265       117.2913 728.0998       270.3056 530.4026       130.1861 159.9049 36.20302 144.6378 19.30860 15.26706       41.03024 
1 1 1 -4  -11 27 o 49.71524 21.27079 6.463571       89.89702 242.2094       256.8802 -26.43760      95.96531 98.89716 38.23652 47.19772 21.02912 51.69944       43.63778 
1 1 1 -4  -11 28 o 65.93628 26.57702 73.92505       128.8815 69.07632       197.2491 77.53720       170.2490 74.71603 31.72224 72.13506 29.97173 2.580978       43.64178 
1 1 1 -4  -11 29 o 132.5236 17.45579 450.6210       107.9099 411.0105       190.2400 469.4115       131.0287 117.2440 32.70724 133.1957 21.29312 -15.95167      39.02769 
1 1 1 -4  -11 30 o 168.4514 15.32562 719.2242       122.0746 848.8684       207.2570 650.3558       151.0577 174.9505 25.53124 156.5840 20.68377 18.36646       32.85822 
1 1 1 -4  -11 31 o 49.01915 21.35880 5.713593       93.95277 -91.09557      185.1906 39.26677       109.0253 57.57152 26.94408 56.22654 23.71426 1.344975       35.89359 
1 1 1 -4  -10 1  o 133.5325 8.707962 428.7201       55.28870 456.0773       76.73898 399.1913       79.72665 137.4270 11.79373 128.3258 13.18239 9.101257       17.68807 
1 1 1 -4  -10 2  o 178.9710 7.895071 768.1588       67.38713 749.5358       96.73840 785.7138       93.92351 176.4561 11.53026 180.7452 10.92018 -4.289093      15.88072 
1 1 1 -4  -10 3  o 267.8544 11.52533 1723.001       147.2459 1677.614       208.5623 1768.106       207.9136 263.6330 16.63209 270.7521 16.13530 -7.119110      23.17271 
1 1 1 -4  -10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -10 5  o 138.6830 9.664553 462.9077       63.67767 464.5054       92.87816 461.4905       87.47240 138.3723 14.24284 138.0314 13.42453 0.3408508      19.57234 
1 1 1 -4  -10 6  o 533.8554 9.989226 6827.886       254.9552 6466.959       664.3364 6890.226       276.0967 515.2831 27.06193 536.1907 10.77044 -20.90759      29.12646 
1 1 1 -4  -10 7  f 290.7170 12.47291 2031.182       172.9558 1864.317       246.5672 2192.816       242.6722 277.5491 18.69075 301.4270 16.90728 -23.87784      25.20318 
1 1 1 -4  -10 8  o 381.0497 10.18021 3481.921       185.2924 3546.318       215.8460 3301.527       361.2624 384.3573 11.76012 369.2321 20.54617 15.12515       23.67373 
1 1 1 -4  -10 9  o 566.6556 8.161604 7688.476       221.1073 7307.217       321.2492 8031.658       304.7857 551.8644 12.17591 578.7684 11.01492 -26.90399      16.41893 
1 1 1 -4  -10 10 o 433.9079 10.55494 4514.082       218.9585 4558.702       249.3556 4363.809       457.6106 435.6972 11.98225 423.7697 22.66946 11.92746       25.64135 
1 1 1 -4  -10 11 o 661.7070 8.391781 10488.66       265.4778 10113.51       385.0522 10828.56       366.5179 648.9597 12.41062 671.7464 11.41252 -22.78668      16.86028 
1 1 1 -4  -10 12 f 374.4363 10.42630 3366.289       186.4634 3383.127       217.8317 3320.128       360.6782 375.0748 12.16381 369.5371 20.49547 5.537659       23.83323 
1 1 1 -4  -10 13 o 212.4610 11.33544 1087.270       114.7232 904.8366       165.4410 1256.249       159.2236 192.5424 18.18804 227.8624 14.69427 -35.32001      23.38218 
1 1 1 -4  -10 14 o 223.0838 11.45807 1199.241       121.7952 1126.107       175.8514 1266.669       168.8507 215.0518 17.24839 228.5328 15.54674 -13.48097      23.22085 
1 1 1 -4  -10 15 o 358.5642 11.03652 3093.731       188.9688 3055.994       225.8219 3181.885       345.1476 355.8396 13.29744 360.9260 20.08140 -5.086395      24.08495 
1 1 1 -4  -10 16 o 194.0998 11.43420 909.7902       105.6358 908.9175       155.6397 910.5356       143.8403 192.8226 17.05897 193.3217 15.69790 -0.4990845     23.18259 
1 1 1 -4  -10 17 o 201.0212 12.21055 977.6183       116.7972 795.1534       185.8651 1096.690       150.1457 178.6418 22.24282 212.3618 14.88286 -33.72000      26.76271 
1 1 1 -4  -10 18 o 415.0601 10.70601 4149.009       212.2679 4330.906       451.5707 4097.417       240.4943 418.7319 22.64122 412.0049 12.22291 6.727020       25.72983 
1 1 1 -4  -10 19 o 265.0549 12.44107 1699.368       157.2129 1865.302       231.3070 1556.900       214.3279 276.1283 17.61325 252.0787 17.90065 24.04959       25.11294 
1 1 1 -4  -10 20 o 333.3119 10.20435 2676.755       162.4175 2406.539       255.7595 2859.370       210.2547 313.7757 17.11400 343.7315 12.81679 -29.95584      21.38128 
1 1 1 -4  -10 21 o 391.2198 15.37368 3727.023       286.9860 3807.858       413.1588 3651.659       398.9338 391.6187 22.15749 383.6834 21.83818 7.935242       31.11046 
1 1 1 -4  -10 22 o 211.6027 12.93664 1088.286       130.2478 1070.112       196.4862 1102.531       173.9605 207.4512 20.06108 211.6146 17.34691 -4.163422      26.52097 
1 1 1 -4  -10 23 o 58.20542 21.42758 68.69232       78.45305 2.011497       148.4382 94.53854       92.41526 62.99611 27.14832 65.54040 23.37715 -2.544289      35.82628 
1 1 1 -4  -10 24 o 258.6657 12.75220 1625.405       157.2141 1499.615       254.0623 1703.461       200.1331 244.6115 21.95816 263.6421 15.95265 -19.03059      27.14125 
1 1 1 -4  -10 25 o 69.87784 23.78242 116.3604       95.03738 -526.6261      271.1910 206.3821       101.4724 56.48388 27.86925 88.95425 23.50927 -32.47036      36.46068 
1 1 1 -4  -10 26 o 260.2752 16.25336 1672.717       201.2386 1075.612       376.0419 1912.345       238.2207 191.5173 42.20902 277.3368 18.06481 -85.81955      45.91230 
1 1 1 -4  -10 27 o 65.65609 24.02279 94.54306       98.36783 314.9656       265.6831 59.52723       105.8932 108.1977 39.49716 61.04617 24.26405 47.15155       46.35482 
1 1 1 -4  -10 28 o 70.96822 29.73359 58.14872       169.6214 220.2731       276.8422 -39.29282      214.6250 97.89791 39.12611 69.30484 31.12147 28.59307       49.99399 
1 1 1 -4  -10 29 o 140.0169 28.13542 544.7725       181.7979 443.4114       294.9571 606.8686       230.8635 118.0789 41.79953 143.3801 34.16630 -25.30119      53.98645 
1 1 1 -4  -10 30 f 134.3224 25.03194 494.7519       154.8374 -50.40078      322.8696 657.5748       176.4517 79.13300 36.53284 155.6601 24.52091 -76.52710      43.99913 
1 1 1 -4  -10 31 o 152.2188 20.53600 615.5378       145.6399 578.4834       233.0631 639.2775       186.5483 134.2998 35.69191 150.0312 27.00041 -15.73138      44.75415 
1 1 1 -4  -10 32 o 194.8269 18.01161 995.4984       165.8697 634.1230       257.0957 1253.171       217.0951 134.2263 38.22608 214.9534 21.40941 -80.72716      43.81320 
1 1 1 -4  -9  1  o 315.8134 8.629574 2390.204       130.1730 2414.419       149.5704 2314.585       264.3109 317.2874 9.872185 309.4726 17.94116 7.814850       20.47792 
1 1 1 -4  -9  2  o 263.8510 8.379286 1668.478       105.5658 1691.700       124.8135 1610.117       197.8670 265.5525 9.848174 258.2819 16.10413 7.270599       18.87670 
1 1 1 -4  -9  3  o 264.1130 7.113703 1670.496       89.74251 1737.560       128.6673 1606.964       125.2325 269.1305 10.01741 258.7928 10.14141 10.33765       14.25471 
1 1 1 -4  -9  4  o 234.4169 8.601949 1317.371       96.24032 1315.083       117.2877 1322.086       168.3772 234.0471 10.50872 234.1355 15.12296 -0.8834839E-01 18.41568 
1 1 1 -4  -9  5  o 701.0292 24.07121 11901.35       805.5596 11516.00       1139.345 12286.55       1139.122 684.7105 34.92017 707.9179 33.75452 -23.20740      48.56733 
1 1 1 -4  -9  6  o 119.3847 10.87452 344.3489       61.38739 299.9673       84.60488 393.6908       89.20763 110.5145 16.51896 127.1745 14.95783 -16.66006      22.28481 
1 1 1 -4  -9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -9  8  o 255.9891 10.40560 1572.743       127.0840 1628.450       167.7418 1497.687       194.7053 260.1373 13.53401 249.0393 16.44520 11.09805       21.29822 
1 1 1 -4  -9  9  o 562.1384 19.78685 7629.544       530.9462 7653.909       752.0908 7605.336       749.6577 560.1973 28.17196 558.4130 28.17113 1.784241       39.84058 
1 1 1 -4  -9  10 o 267.5652 9.829488 1717.552       125.5250 1709.267       219.0009 1721.605       153.1846 265.9098 17.32102 267.6444 12.00203 -1.734650      21.07289 
1 1 1 -4  -9  11 o 476.8313 17.30414 5482.975       393.8241 5451.015       557.8891 5514.720       556.0184 473.2903 24.74130 476.1335 24.50846 -2.843170      34.82523 
1 1 1 -4  -9  12 o 357.1048 14.09116 3069.578       240.1029 2979.526       341.0988 3158.020       338.0356 350.4805 20.44551 361.0540 19.65726 -10.57355      28.36242 
1 1 1 -4  -9  13 o 48.71314 20.41287 9.767936       79.96637 -139.3000      125.9126 110.5394       103.5251 46.27830 21.83270 71.10436 24.79585 -24.82607      33.03787 
1 1 1 -4  -9  14 o 116.7734 14.26279 333.0602       77.97584 445.1717       102.2765 177.4382       120.4998 134.9079 16.17974 85.29315 26.63935 49.61479       31.16792 
1 1 1 -4  -9  15 o 280.8611 10.51470 1896.539       140.9384 1929.166       239.7052 1879.300       174.2377 281.7549 17.88733 279.1393 13.09255 2.615570       22.16690 
1 1 1 -4  -9  16 f 278.1963 11.45331 1863.968       152.0061 1909.692       204.6429 1807.692       227.0348 280.7777 15.30279 272.5945 17.51342 8.183289       23.25715 
1 1 1 -4  -9  17 o 94.76080 15.67253 222.8439       68.52305 68.72575       109.2635 322.7525       87.97302 64.44352 24.93153 114.2719 16.58699 -49.82838      29.94511 
1 1 1 -4  -9  18 o 322.0880 13.54596 2509.580       208.1240 2560.009       300.0595 2462.826       288.9200 323.2807 19.50492 317.2058 19.14051 6.074860       27.32766 
1 1 1 -4  -9  19 o 88.92553 24.97038 201.7370       110.4971 366.8078       187.6932 114.1814       136.6958 118.2474 32.29561 75.63376 28.20247 42.61365       42.87640 
1 1 1 -4  -9  20 o 304.4337 13.05784 2243.126       189.6101 2561.329       277.4135 1964.144       259.7551 323.5926 18.00263 282.7379 19.33271 40.85471       26.41682 
1 1 1 -4  -9  21 o 155.2919 15.08922 590.5495       110.6167 547.7173       154.3571 635.7690       158.6005 147.3216 22.63882 159.3703 21.35236 -12.04874      31.11975 
1 1 1 -4  -9  22 o 221.8962 13.82841 1197.875       145.9709 1341.320       256.9658 1129.534       177.3666 231.1768 23.57979 214.3374 17.45985 16.83940       29.34029 
1 1 1 -4  -9  23 o 187.2190 14.98848 857.9517       133.0380 739.4542       258.9469 900.4464       155.0685 166.1204 33.75708 191.1504 17.15047 -25.03001      37.86395 
1 1 1 -4  -9  24 o 187.1628 17.38106 865.2578       153.7493 981.5646       271.4940 810.3476       186.5452 193.5488 30.33613 179.2554 22.24429 14.29346       37.61767 
1 1 1 -4  -9  25 o 119.5921 17.74911 358.1440       98.40755 379.2505       163.2587 346.0989       123.3310 119.4871 28.89816 115.8561 23.07714 3.631042       36.98186 
1 1 1 -4  -9  26 o 269.6441 13.88754 1775.536       178.4264 1671.698       267.6174 1858.631       239.3999 257.5978 21.93877 273.7473 18.39905 -16.14957      28.63275 
1 1 1 -4  -9  27 o 53.00857 24.13821 -65.92677      134.5576 -177.9724      159.5576 209.9751       250.3787 50.55007 24.05987 96.78247 37.65810 -46.23240      44.68792 
1 1 1 -4  -9  28 o 108.5046 28.37741 320.8155       148.8540 414.9767       179.7792 115.5249       265.4531 122.4676 30.75258 88.54818 37.15413 33.91946       48.23019 
1 1 1 -4  -9  29 o 90.86460 30.78279 220.2117       159.2018 469.5557       196.7202 -253.0446      271.0177 128.7067 32.08381 65.45631 31.21129 63.25040       44.76065 
1 1 1 -4  -9  30 o 129.5127 26.68001 463.3743       159.6982 888.0817       344.7834 347.3703       180.1930 164.0567 43.32425 108.8713 32.29723 55.18546       54.03797 
1 1 1 -4  -9  31 o 68.76598 28.37299 79.17001       151.1079 59.79827       355.7827 83.43350       166.9102 87.27751 39.54853 71.21353 29.63984 16.06398       49.42273 
1 1 1 -4  -9  32 o 127.8082 28.22902 478.1914       167.8793 1113.650       372.3617 316.0708       188.0790 174.7304 44.46968 100.1915 33.45531 74.53886       55.64899 
1 1 1 -4  -9  33 o 183.0182 19.37018 894.5005       166.9176 1158.282       263.5838 717.8967       215.6734 196.9244 28.85264 152.5449 30.63760 44.37950       42.08488 
1 1 1 -4  -8  1  o 200.9805 7.847463 969.1490       75.25860 1021.816       92.88494 868.5007       128.4045 206.2104 9.446732 189.3996 14.28585 16.81078       17.12677 
1 1 1 -4  -8  2  o 313.4533 12.52634 2364.321       187.3397 2419.585       265.1601 2309.240       264.7172 316.0894 17.61617 308.6835 18.01574 7.405884       25.19715 
1 1 1 -4  -8  3  o 31.71682 10.23181 23.39104       17.65417 21.19820       26.51737 25.13675       23.65981 33.68668 12.44769 34.18625 11.85793 -0.4995766     17.19173 
1 1 1 -4  -8  4  o 484.4954 17.30193 5661.575       400.1240 5840.753       566.2063 5482.834       565.5160 490.0323 24.24332 474.4779 25.01831 15.55432       34.83754 
1 1 1 -4  -8  5  o 426.9148 9.167835 4365.192       187.1183 4111.384       442.6865 4420.403       206.4697 411.7059 22.57700 429.5217 10.05455 -17.81573      24.71468 
1 1 1 -4  -8  6  o 596.4170 20.68013 8591.049       588.7814 8786.211       833.1636 8396.355       832.1626 600.1654 29.12389 586.4014 29.78031 13.76404       41.65414 
1 1 1 -4  -8  7  o 240.2888 8.759333 1384.229       100.4582 1465.241       126.4218 1245.438       165.4729 247.0547 10.72895 227.1960 15.32378 19.85870       18.70638 
1 1 1 -4  -8  8  o 427.5234 15.91922 4398.085       324.8112 4264.537       460.5949 4530.202       458.1199 419.4573 23.05667 432.5694 22.22663 -13.11209      32.02551 
1 1 1 -4  -8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -8  10 o 398.6445 10.72762 3811.166       204.2690 3668.405       232.1008 4301.640       430.2101 390.8824 12.43584 421.5620 21.41588 -30.67963      24.76470 
1 1 1 -4  -8  11 o 891.9571 8.918093 19052.65       380.2982 18700.61       541.7175 19394.75       534.0111 882.8201 12.83490 899.1619 12.42236 -16.34180      17.86196 
1 1 1 -4  -8  12 o 488.9292 10.77896 5730.505       251.9598 5665.737       278.1468 6026.701       594.8140 485.9989 11.97100 497.7267 25.07745 -11.72778      27.78819 
1 1 1 -4  -8  13 o 424.4030 15.81638 4339.676       320.3565 4436.354       454.4496 4244.178       451.6682 427.4637 22.31436 417.9688 22.68812 9.494934       31.82266 
1 1 1 -4  -8  14 o 586.8577 20.51010 8344.068       574.5670 8658.766       814.1330 8031.791       810.9971 594.0463 28.75135 571.5485 29.78233 22.49786       41.39598 
1 1 1 -4  -8  15 o 288.3396 10.92719 1998.281       150.3607 2191.430       199.0737 1741.745       229.4263 301.4876 13.84834 267.8751 18.01924 33.61252       22.72596 
1 1 1 -4  -8  16 o 189.7337 11.56380 868.1312       104.3965 995.3139       156.4636 766.0773       140.1567 202.3798 16.30903 177.3009 16.73253 25.07890       23.36583 
1 1 1 -4  -8  17 o 137.3841 17.18409 463.8130       110.4064 885.3748       181.1146 214.5201       139.2765 189.7330 20.28069 92.87641 28.57926 96.85654       35.04398 
1 1 1 -4  -8  18 o 287.6540 12.75551 1997.828       174.9828 2180.796       253.8951 1832.295       241.4962 299.1742 17.83186 273.9237 18.54990 25.25055       25.73080 
1 1 1 -4  -8  19 o 128.8110 13.87845 405.3685       84.12063 593.9513       131.0659 273.2693       109.6955 155.2526 17.99066 103.5155 22.78410 51.73717       29.03066 
1 1 1 -4  -8  20 o 92.51738 20.59871 217.6858       88.76962 110.8431       198.4756 244.4029       99.24986 83.73296 33.23897 97.90256 21.76784 -14.16959      39.73245 
1 1 1 -4  -8  21 o 55.56598 20.78134 58.39921       74.33185 188.9716       131.5289 -2.871662      90.09953 87.26665 27.90642 49.35052 21.20797 37.91613       35.05062 
1 1 1 -4  -8  22 o 135.7311 14.80992 452.0342       94.54644 542.4147       153.6324 396.9388       119.9509 146.5532 22.65710 125.5244 20.70946 21.02879       30.69570 
1 1 1 -4  -8  23 o 276.3315 12.39612 1849.768       163.3493 1869.050       263.4647 1837.728       208.1949 274.8089 20.19421 274.2483 15.94761 0.5606079      25.73193 
1 1 1 -4  -8  24 o 204.5305 13.55497 1019.101       131.7977 742.7302       200.4408 1229.605       174.9326 170.3182 25.39064 223.7910 16.46535 -53.47281      30.26206 
1 1 1 -4  -8  25 o 53.60076 21.53635 37.08966       84.34035 132.7943       144.6049 -12.25162      103.8297 78.62298 29.06516 51.47698 22.44121 27.14600       36.72045 
1 1 1 -4  -8  26 o 386.7738 15.77178 3660.884       291.0275 3682.526       421.8766 3641.234       401.9931 382.8485 23.15718 381.4850 22.13615 1.363464       32.03535 
1 1 1 -4  -8  27 f 148.3493 19.71748 555.4557       136.3849 510.5236       189.2103 604.0481       196.7663 137.8544 29.59377 150.9046 28.31315 -13.05023      40.95639 
1 1 1 -4  -8  28 o 117.3089 26.67699 368.4991       146.2225 452.7395       196.0794 262.9597       219.4720 127.7458 32.13805 100.5714 36.00807 27.17437       48.26423 
1 1 1 -4  -8  29 o 174.7459 19.83817 775.2714       162.8065 857.2184       224.5175 684.3973       236.4303 179.6755 26.96855 156.6572 32.62891 23.01830       42.33141 
1 1 1 -4  -8  30 o 122.0604 18.49219 381.6740       104.5364 203.8892       215.2086 436.5758       119.5930 91.22947 35.06999 130.0714 19.86024 -38.84190      40.30302 
1 1 1 -4  -8  31 o 43.45865 19.54526 -29.02806      85.01765 -319.5360      211.2467 27.12035       92.87090 52.14370 25.49691 52.65258 22.02649 -0.5088844     33.69360 
1 1 1 -4  -8  32 o 79.71781 23.05673 174.3326       92.84429 311.3139       187.7568 129.9963       106.8180 101.1388 33.41606 71.10767 25.15605 30.03114       41.82655 
1 1 1 -4  -8  33 o 118.2741 21.34513 382.0917       116.2569 916.4877       334.5041 308.6732       123.9860 156.9754 43.21125 103.4647 25.28336 53.51073       50.06456 
1 1 1 -4  -7  1  o 258.7778 6.895941 1605.636       85.23966 1649.021       121.0774 1563.004       120.0237 261.8708 9.687613 254.9116 9.867108 6.959244       13.82786 
1 1 1 -4  -7  2  o 102.2585 8.381653 252.4437       40.61749 237.2901       57.33448 267.7114       57.54971 98.51435 12.45090 104.8603 11.67740 -6.345940      17.07005 
1 1 1 -4  -7  3  o 207.0756 10.08745 1031.872       99.56576 971.9772       141.0355 1091.381       140.5802 200.1761 14.84256 212.3543 13.92377 -12.17819      20.35124 
1 1 1 -4  -7  4  o 389.2092 14.69853 3655.629       273.0137 3568.854       386.3663 3742.166       385.8336 382.6091 21.20496 392.0070 20.66017 -9.397888      29.60563 
1 1 1 -4  -7  5  o 220.5979 8.655482 1167.868       91.10817 1147.581       112.4004 1206.730       155.5691 218.4305 10.79678 223.4386 14.64391 -5.008118      18.19381 
1 1 1 -4  -7  6  o 258.6900 7.328372 1603.329       90.54359 1581.280       131.8087 1623.030       124.5919 256.5656 10.76971 260.0188 10.04138 -3.453247      14.72468 
1 1 1 -4  -7  7  o 107.0875 9.089163 276.6308       46.09485 328.8160       69.05046 234.6822       61.90866 116.3916 12.61019 97.94921 13.58561 18.44244       18.53606 
1 1 1 -4  -7  8  o 334.3857 8.857446 2679.211       141.4757 2417.004       290.3916 2760.816       162.0019 316.1436 19.30486 339.3340 9.996735 -23.19043      21.73965 
1 1 1 -4  -7  9  o 647.0872 10.51422 10032.20       325.2732 10082.64       971.4805 10025.83       345.1976 642.0574 31.74686 646.7878 11.16343 -4.730408      33.65242 
1 1 1 -4  -7  10 o 311.2932 12.83655 2328.323       190.6310 2142.735       270.1121 2512.491       269.0767 297.6656 19.08096 322.7004 17.50642 -25.03488      25.89513 
1 1 1 -4  -7  11 o 438.9346 8.099209 4612.068       169.9616 3923.421       241.5537 5287.291       239.1877 404.2512 12.51346 469.7249 10.65092 -65.47375      16.43255 
1 1 1 -4  -7  12 o 297.7795 10.23319 2127.171       145.4684 1835.570       171.2345 2883.351       275.7461 276.2772 13.00043 345.8161 16.72807 -69.53891      21.18583 
1 1 1 -4  -7  13 o 527.0195 18.99091 6705.241       477.7164 6128.832       676.4986 7278.573       674.6911 500.7870 28.37172 546.8508 25.87985 -46.06381      38.40210 
1 1 1 -4  -7  14 o 377.1141 14.79235 3423.920       266.1799 3214.955       378.4217 3628.555       374.4797 363.8649 21.85413 387.0383 20.30899 -23.17337      29.83384 
1 1 1 -4  -7  15 o 256.6999 11.56843 1584.432       141.6091 1699.578       198.4401 1464.950       202.1423 265.2440 15.71909 245.9026 17.30485 19.34149       23.37836 
1 1 1 -4  -7  16 o 269.7853 11.21844 1750.196       144.3812 1741.640       232.4955 1755.567       184.2054 267.8251 18.26679 269.6975 14.33773 -1.872437      23.22167 
1 1 1 -4  -7  17 o 249.7207 12.43258 1503.237       147.9641 1405.334       212.3709 1595.595       206.2683 240.1652 18.64182 256.4039 16.92132 -16.23866      25.17635 
1 1 1 -4  -7  18 o 337.9736 13.98917 2758.652       225.5502 2767.511       323.8195 2750.304       314.3440 336.6636 20.21170 335.7989 19.66630 0.8646545      28.20065 
1 1 1 -4  -7  19 o 308.4891 11.49729 2293.192       169.2713 2728.263       296.8865 2083.640       206.0421 334.4166 18.64304 293.2726 14.74250 41.14401       23.76772 
1 1 1 -4  -7  20 o 339.7191 13.84881 2793.370       224.4551 3154.909       325.9608 2467.358       309.5309 359.1247 19.05323 316.8741 20.54262 42.25061       28.01830 
1 1 1 -4  -7  21 o 280.0936 12.56994 1897.217       167.8946 2408.743       255.5797 1508.898       222.6828 314.1994 17.07845 247.8569 18.93554 66.34245       25.49957 
1 1 1 -4  -7  22 o 59.48873 25.30925 9.053388       126.0039 -130.6303      221.9156 75.51376       153.0722 66.76566 30.62744 72.68046 29.07816 -5.914803      42.23244 
1 1 1 -4  -7  23 o 117.0614 16.54697 340.0367       90.02718 534.4308       146.1864 221.2672       114.2662 145.7263 21.63868 92.60724 25.15991 53.11905       33.18515 
1 1 1 -4  -7  24 o 265.7470 13.48365 1715.925       170.7508 1561.396       253.0264 1845.144       231.3792 250.4243 21.33699 273.9974 17.75887 -23.57314      27.76049 
1 1 1 -4  -7  25 o 108.6145 18.96055 298.1151       94.87703 304.0421       158.2031 294.7860       118.5648 107.1180 29.80561 106.6079 23.85912 0.5101624      38.17895 
1 1 1 -4  -7  26 o 293.9731 12.97834 2100.064       181.9547 2475.287       300.9501 1883.880       228.4346 315.7373 20.04044 276.6140 17.36101 39.12329       26.51460 
1 1 1 -4  -7  27 o 338.1089 12.69252 2777.313       204.8052 2915.442       362.7077 2712.658       248.1507 340.7529 22.38831 332.7628 15.64190 7.990112       27.31127 
1 1 1 -4  -7  28 o 123.6613 28.95767 413.1231       168.1701 7.855113       328.6383 556.8911       195.7393 88.47588 39.19630 143.7936 29.46403 -55.31769      49.03548 
1 1 1 -4  -7  29 o 160.7024 20.61764 658.5504       154.7604 737.7662       348.2339 639.0544       172.7582 154.3031 44.66084 156.6979 23.80853 -2.394775      50.61065 
1 1 1 -4  -7  30 o 55.74240 22.08980 49.71741       87.51704 -67.93837      209.7972 74.50456       96.29559 66.57229 30.24656 61.56098 23.51057 5.011307       38.30928 
1 1 1 -4  -7  31 o 91.49393 21.76067 223.6697       93.79061 361.9318       184.2457 175.3096       108.9656 111.4775 32.54959 80.87424 25.34318 30.60325       41.25230 
1 1 1 -4  -7  32 o 74.06611 23.52392 147.1041       93.58984 354.7375       200.0912 88.95753       105.8866 107.5583 34.42229 64.17979 24.61793 43.37846       42.31946 
1 1 1 -4  -7  33 o 47.61131 22.28981 -90.57195      126.9089 -324.7512      196.3922 77.32574       166.2924 48.69875 23.96796 69.60024 29.31741 -20.90149      37.86784 
1 1 1 -4  -7  34 o 124.2401 28.64938 467.5416       166.6941 171.2221       356.8503 550.2476       188.5273 87.36530 39.59608 133.5167 30.23900 -46.15142      49.82215 
1 1 1 -4  -6  1  o 358.2095 13.77171 3100.043       235.4093 3123.709       333.0285 3076.409       332.8096 357.6712 19.54985 354.8909 19.69241 2.780365       27.74865 
1 1 1 -4  -6  2  o 222.2361 10.32278 1189.448       109.3784 1205.243       154.7433 1173.677       154.6256 222.8891 14.60202 219.8958 14.79417 2.993225       20.78669 
1 1 1 -4  -6  3  f 205.6478 8.001845 1015.751       78.52230 983.5663       137.8256 1031.218       95.54481 201.2846 14.41773 206.9842 9.682036 -5.699554      17.36700 
1 1 1 -4  -6  4  o 168.6525 9.190437 684.7310       73.82323 730.0826       105.0152 640.4239       103.7990 173.6199 12.74028 162.4159 13.48933 11.20398       18.55469 
1 1 1 -4  -6  5  o 157.6865 8.113409 597.6812       60.95979 668.4791       99.51211 555.1548       77.12490 166.1724 12.62027 151.6373 10.70734 14.53505       16.55048 
1 1 1 -4  -6  6  o 302.5063 7.197508 2191.836       104.0938 2291.861       150.2982 2099.626       144.3063 308.8586 10.19251 295.6023 10.22642 13.25632       14.43839 
1 1 1 -4  -6  7  o 242.4441 7.249773 1408.668       83.93754 1384.251       119.3348 1432.577       118.0863 240.0042 10.42502 244.2001 10.13656 -4.195908      14.54066 
1 1 1 -4  -6  8  o 245.3689 10.94543 1446.533       128.0756 1494.279       182.3734 1400.072       179.9043 248.7829 15.40881 240.7334 15.71730 8.049515       22.01057 
1 1 1 -4  -6  9  o 303.8041 7.548966 2209.140       109.6452 2243.799       158.7278 2177.508       151.6384 305.7755 10.87512 301.2545 10.54478 4.521027       15.14796 
1 1 1 -4  -6  10 o 161.8235 9.524941 629.3333       73.36475 699.3807       106.3103 565.6416       101.3726 170.2356 13.16442 152.8771 14.02596 17.35846       19.23615 
1 1 1 -4  -6  11 o 351.4087 10.01070 2960.507       168.0128 3012.932       330.0536 2942.171       195.1961 353.0644 19.63068 350.1345 11.67713 2.929932       22.84116 
1 1 1 -4  -6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -6  13 o 210.1922 12.17830 1063.184       121.8563 677.8110       170.6166 1464.442       174.0977 166.0782 22.03112 246.4573 14.84434 -80.37903      26.56547 
1 1 1 -4  -6  14 o 386.2404 14.92984 3590.514       275.1709 3611.302       391.5068 3570.220       386.8362 386.0088 21.29708 383.8336 21.16214 2.175171       30.02336 
1 1 1 -4  -6  15 o 198.1466 11.97674 945.4428       112.9279 678.2791       160.4985 1207.382       158.9216 166.3001 20.62897 223.6004 14.95219 -57.30031      25.47788 
1 1 1 -4  -6  16 o 205.0419 10.77917 1011.175       105.2951 1189.716       171.0004 902.1362       133.6344 221.6534 16.24961 193.1254 14.58111 28.52802       21.83251 
1 1 1 -4  -6  17 o 276.3376 12.47057 1838.839       164.3289 1753.027       228.6232 1930.557       236.3624 268.7518 17.89542 282.1527 17.60988 -13.40085      25.10685 
1 1 1 -4  -6  18 o 163.5977 14.27983 649.7439       110.5702 628.2609       155.3685 671.7897       157.3909 159.4584 20.88139 165.0981 20.37181 -5.639694      29.17264 
1 1 1 -4  -6  19 o 151.5619 13.05704 557.3760       93.68987 939.0143       151.0084 318.5336       119.4623 196.3749 16.22924 112.1397 23.05321 84.23524       28.19288 
1 1 1 -4  -6  20 o 115.9916 19.55016 336.4737       104.5632 373.2233       141.3461 292.0526       155.4005 120.8458 25.27868 106.4418 29.51146 14.40394       38.85792 
1 1 1 -4  -6  21 f 252.6531 12.46634 1543.539       150.1167 2035.575       240.7961 1230.739       191.9924 288.7029 17.52835 224.0685 18.07563 64.63441       25.17879 
1 1 1 -4  -6  22 o 366.1863 12.20165 3239.057       213.3153 3697.702       281.3295 2618.720       327.1829 390.2163 15.10855 325.7939 21.11961 64.42245       25.96741 
1 1 1 -4  -6  23 o 115.3746 19.69512 334.9074       104.7405 -5.933993      233.8697 420.4253       117.1456 77.62598 33.76252 129.6368 19.50500 -52.01086      38.99170 
1 1 1 -4  -6  24 o 176.8129 17.58554 771.0845       146.6860 913.2546       262.7896 706.7399       176.7910 187.3605 30.37670 167.5073 22.65619 19.85315       37.89521 
1 1 1 -4  -6  25 o 185.7557 17.67697 852.5562       155.0949 1209.727       286.5573 704.5808       184.4455 216.5902 28.35367 166.4656 23.85691 50.12462       37.05513 
1 1 1 -4  -6  26 o 112.3743 28.15484 334.4939       150.9332 424.7596       291.8192 301.5281       176.3536 124.5189 41.67445 106.5183 32.03559 18.00060       52.56461 
1 1 1 -4  -6  27 o 198.7354 13.79034 964.5771       130.2137 1243.603       226.9612 827.6667       158.9819 222.5661 21.60100 182.4568 18.48005 40.10927       28.42737 
1 1 1 -4  -6  28 o 53.66664 21.68489 36.21803       86.03486 -67.55964      196.9069 60.70494       95.64799 65.56732 29.59393 59.70948 23.26340 5.857845       37.64288 
1 1 1 -4  -6  29 o 109.9538 21.87176 314.4854       110.9274 231.0451       179.5573 365.9865       141.0663 94.41962 32.67102 117.2125 25.86740 -22.79288      41.67155 
1 1 1 -4  -6  30 o 77.84879 25.50862 155.1140       109.4959 -103.8167      185.5257 293.5159       135.6386 60.06857 27.71779 103.9910 27.03502 -43.92242      38.71909 
1 1 1 -4  -6  31 o 99.78539 28.37093 275.0557       141.7354 360.8749       197.0781 183.1124       203.9887 111.8837 33.91281 88.26456 34.08744 23.61909       48.08360 
1 1 1 -4  -6  32 o 212.6634 18.89709 1160.589       190.1319 1177.642       350.6583 1153.488       226.2828 194.4402 39.07859 208.6080 23.07408 -14.16777      45.38226 
1 1 1 -4  -6  33 o 133.5426 24.78896 493.1703       152.4402 646.6793       216.9080 343.3558       214.2820 147.3514 31.72928 104.4934 35.70787 42.85809       47.76818 
1 1 1 -4  -6  34 o 46.92216 22.64300 -178.5106      152.5340 -332.1125      227.0943 -52.25103      205.8923 52.72240 25.91370 63.19859 29.17546 -10.47619      39.02214 
1 1 1 -4  -6  35 f 44.22856 20.27050 -39.53993      96.90790 -136.1858      224.8107 -17.48298      107.3985 59.51748 28.39252 48.76175 21.94584 10.75573       35.88530 
1 1 1 -4  -5  1  o 518.1890 9.158772 6439.451       226.8996 5383.943       595.2162 6618.914       245.4321 467.5164 26.74145 525.2433 9.773778 -57.72687      28.47159 
1 1 1 -4  -5  2  o 628.0993 9.506881 9466.092       285.4794 9709.930       304.3896 7684.540       822.7700 636.0075 10.01058 555.0992 31.12739 80.90826       32.69749 
1 1 1 -4  -5  3  o 472.5559 17.09955 5418.500       385.6822 5451.107       545.5922 5385.929       545.2819 470.4227 24.34171 467.5159 24.48118 2.906799       34.52314 
1 1 1 -4  -5  4  o 288.0357 11.87604 2000.410       163.1901 2067.368       231.1300 1933.850       230.4428 291.6299 16.64652 281.8711 17.18194 9.758881       23.92333 
1 1 1 -4  -5  5  f 137.7847 8.865644 457.4896       58.09099 478.8805       83.29182 437.2298       81.05978 140.4338 12.53745 134.0924 12.79935 6.341339       17.91678 
1 1 1 -4  -5  6  o 295.5049 8.690166 2096.815       122.6391 2128.213       243.2041 2086.109       142.0175 295.7723 17.27426 294.5171 10.10104 1.255249       20.01077 
1 1 1 -4  -5  7  o 582.3676 20.46051 8258.676       568.7832 8362.686       804.7884 8154.875       803.9741 580.6439 29.08361 573.1116 29.44099 7.532227       41.38391 
1 1 1 -4  -5  8  o 275.1575 11.71714 1821.528       153.7857 1809.639       218.2476 1833.252       216.7319 273.3376 16.78187 275.1705 16.55102 -1.832825      23.57048 
1 1 1 -4  -5  9  o 564.4600 19.75658 7706.760       532.3328 7930.082       753.4855 7484.210       752.1805 569.3608 27.76454 552.7188 28.56177 16.64197       39.83270 
1 1 1 -4  -5  10 o 1046.855 9.376194 26249.99       469.2685 26435.37       667.0984 26068.39       660.2463 1049.474 13.29566 1042.179 13.25121 7.295776       18.77149 
1 1 1 -4  -5  11 o 357.2101 9.389391 3057.991       160.2112 3138.232       184.9046 2816.315       320.8984 361.7322 10.70361 341.2749 19.75216 20.45728       22.46586 
1 1 1 -4  -5  12 o 524.9356 10.70029 6603.049       268.5406 6663.766       295.5848 6316.050       642.6386 527.2150 11.72697 509.5935 26.46827 17.62152       28.94981 
1 1 1 -4  -5  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -5  14 o 839.0255 28.66176 17165.64       1148.017 17016.35       1624.944 17314.41       1622.141 826.7309 41.24197 834.3152 40.79139 -7.584290      58.00723 
1 1 1 -4  -5  15 o 322.3889 10.57670 2494.016       162.7985 1952.006       279.2722 2773.006       200.3634 283.5237 20.74659 339.7314 12.35658 -56.20767      24.14759 
1 1 1 -4  -5  16 o 313.9503 13.81838 2372.760       206.9003 2018.397       298.0737 2702.242       287.4193 287.9463 21.81458 334.2815 18.05133 -46.33521      28.31477 
1 1 1 -4  -5  17 o 613.0883 20.94368 9116.737       612.9798 9881.803       871.0484 8366.130       862.7795 634.2926 28.79909 582.2169 31.10901 52.07568       42.39290 
1 1 1 -4  -5  18 o 362.8613 14.42619 3176.199       249.7666 3313.618       360.6751 3049.578       346.2150 368.9507 20.52841 353.8940 20.55118 15.05670       29.04766 
1 1 1 -4  -5  19 o 376.6641 9.577729 3406.725       172.3347 4130.839       272.3120 2922.959       222.5774 413.8250 13.78314 348.1166 13.39860 65.70831       19.22232 
1 1 1 -4  -5  20 o 280.6538 12.14271 1899.816       162.5422 2310.850       241.5501 1559.674       219.7343 308.4806 16.43773 252.7548 18.30812 55.72574       24.60460 
1 1 1 -4  -5  21 o 399.8542 12.18612 3857.053       232.6850 4099.608       291.1578 3428.314       387.0966 411.3531 14.82916 373.2107 21.78964 38.14243       26.35702 
1 1 1 -4  -5  22 o 132.9801 20.83703 443.5741       128.1261 295.9313       233.1329 507.4668       153.3639 109.1611 37.24677 141.6148 23.47355 -32.45367      44.02646 
1 1 1 -4  -5  23 o 118.3812 24.25977 359.4528       132.6842 96.04265       251.7524 460.7623       156.1286 88.92954 36.65049 134.0904 25.28129 -45.16082      44.52417 
1 1 1 -4  -5  24 o 281.6332 13.46901 1924.792       180.8287 2558.786       301.2466 1567.672       226.0927 322.2127 19.64902 252.2442 18.88518 69.96855       27.25315 
1 1 1 -4  -5  25 o 91.44640 22.73562 215.7574       98.97557 502.9290       285.6974 176.5913       105.5093 134.8623 40.82203 83.23190 24.71962 51.63041       47.72313 
1 1 1 -4  -5  26 o 353.2969 14.40916 3041.440       242.8703 3625.279       365.1833 2578.390       325.2206 382.4471 20.04239 321.6406 21.26883 60.80652       29.22432 
1 1 1 -4  -5  27 o 77.10204 23.20027 151.2173       92.47515 -18.60693      179.8679 212.2353       107.8159 66.74117 29.30476 90.26260 24.40429 -23.52142      38.13578 
1 1 1 -4  -5  28 o 110.5005 20.05386 311.3241       102.0420 475.4879       195.1270 249.5293       119.7167 132.6474 31.28068 97.42945 25.43330 35.21793       40.31543 
1 1 1 -4  -5  29 o 62.19168 23.32850 78.04977       93.81473 253.3981       201.5934 29.57806       105.9912 98.88623 34.59346 56.92845 23.65059 41.95778       41.90535 
1 1 1 -4  -5  30 o 275.2115 15.79754 1873.646       206.9835 1934.987       342.5572 1838.372       259.7654 271.4517 26.74257 269.6834 20.29633 1.768280       33.57239 
1 1 1 -4  -5  31 o 199.4435 18.40893 1003.275       173.5525 973.5771       237.7406 1037.158       253.9402 191.1486 26.74606 196.5990 27.79136 -5.450394      38.57087 
1 1 1 -4  -5  32 o 79.11075 30.21158 146.5578       159.0062 268.9861       213.4261 -6.165326      238.3741 97.83128 35.44635 73.70437 32.97019 24.12691       48.40948 
1 1 1 -4  -5  33 o 128.6554 28.20435 474.1408       168.6873 692.6333       229.4003 216.8996       248.9121 152.3669 32.48450 91.03925 36.84893 61.32763       49.12318 
1 1 1 -4  -5  34 o 54.78910 24.60824 -20.95555      134.2673 308.2707       367.8198 -71.56964      144.2194 99.69982 42.84787 52.46217 24.28904 47.23766       49.25341 
1 1 1 -4  -5  35 o 69.11105 26.80741 120.9614       126.5734 -180.3568      229.0458 253.4315       151.8688 58.35942 28.05660 89.87219 30.06379 -31.51278      41.12182 
1 1 1 -4  -4  1  o 255.3411 6.812861 1561.955       83.09414 1521.076       117.4948 1602.860       117.5310 251.6814 9.783336 258.3982 9.530138 -6.716766      13.65786 
1 1 1 -4  -4  2  o 251.2225 10.91185 1517.641       130.7459 1569.287       185.0848 1466.197       184.7210 254.7591 15.26615 246.1212 15.78169 8.637939       21.95716 
1 1 1 -4  -4  3  o 409.3122 8.976220 4017.091       175.6534 3817.411       411.0985 4061.688       194.2810 395.4951 21.82648 411.4460 9.876637 -15.95093      23.95712 
1 1 1 -4  -4  4  f 249.1369 6.962546 1487.991       82.84923 1593.464       118.8470 1388.280       115.5554 257.4861 9.671608 240.2541 10.08271 17.23196       13.97144 
1 1 1 -4  -4  5  o 336.3426 8.718519 2716.045       140.0769 2772.476       160.2546 2533.329       288.3637 339.6117 9.880560 322.2572 18.79833 17.35446       21.23682 
1 1 1 -4  -4  6  o 255.0349 8.485761 1562.309       103.3222 1544.439       191.4446 1569.653       122.7310 252.0400 15.96998 255.3845 10.07172 -3.344528      18.88067 
1 1 1 -4  -4  7  o 118.5185 9.009665 339.0314       50.66836 355.0005       72.75652 323.9933       70.60371 120.7212 12.80093 115.2250 13.04584 5.496262       18.27724 
1 1 1 -4  -4  8  o 318.4697 8.887977 2434.413       135.1931 2524.991       158.1265 2188.304       260.6481 324.1335 10.21680 299.9266 18.26395 24.20691       20.92738 
1 1 1 -4  -4  9  o 331.4671 13.19439 2645.935       208.6746 2543.064       295.5632 2748.178       294.6598 323.6130 19.18979 336.6667 18.37647 -13.05362      26.56959 
1 1 1 -4  -4  10 o 514.5716 18.32822 6394.557       450.1739 6579.511       636.9833 6209.999       636.3015 519.4272 25.73054 504.2991 26.48447 15.12808       36.92544 
1 1 1 -4  -4  11 o 278.4085 9.322204 1858.604       123.9072 1991.896       228.3916 1803.008       147.5011 287.2768 16.70121 274.0096 11.28370 13.26721       20.15570 
1 1 1 -4  -4  12 o 300.4026 9.586817 2163.598       137.5086 2410.680       261.4673 2069.131       161.6723 316.0790 17.36945 293.5659 11.54167 22.51306       20.85445 
1 1 1 -4  -4  13 o 347.7379 10.07271 2899.320       167.2819 2808.580       325.5959 2931.862       194.9839 340.7130 20.07758 349.5037 11.68556 -8.790741      23.23061 
1 1 1 -4  -4  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -4  15 o 305.3667 13.56132 2243.193       197.4910 1938.548       285.4164 2523.033       273.5503 282.4741 21.29123 323.1862 17.77261 -40.71207      27.73413 
1 1 1 -4  -4  16 o 546.3954 8.813775 7150.917       230.2382 7401.360       343.0564 6945.656       310.5735 555.2432 12.92331 538.0251 12.07407 17.21814       17.68601 
1 1 1 -4  -4  17 o 233.1960 12.46954 1309.384       138.5154 1069.076       204.0145 1514.892       188.6653 209.2259 20.66521 250.3533 15.84396 -41.12740      26.04001 
1 1 1 -4  -4  18 f 234.6831 12.24938 1326.738       136.9614 1394.545       204.1246 1271.215       184.7123 239.5914 17.95083 228.8860 17.00123 10.70540       24.72396 
1 1 1 -4  -4  19 o 342.1490 11.16374 2815.084       182.3693 3242.373       342.4180 2645.888       215.4719 365.0057 19.69518 331.2092 13.63671 33.79657       23.95538 
1 1 1 -4  -4  20 o 210.2529 12.06076 1067.146       120.7255 1528.571       190.0452 754.9675       156.3175 250.9420 15.92285 175.3190 18.95045 75.62292       24.75191 
1 1 1 -4  -4  21 o 75.79957 20.68738 145.0031       77.04676 310.0945       145.3604 80.50053       90.85992 109.6168 27.72325 63.11131 23.08845 46.50547       36.07845 
1 1 1 -4  -4  22 o 249.4159 12.80469 1505.539       152.1757 1783.406       236.2518 1308.503       198.9433 269.8101 18.42565 231.0146 18.15869 38.79546       25.86972 
1 1 1 -4  -4  23 o 285.1570 13.10939 1969.515       178.2426 2370.569       273.3018 1672.670       235.1291 310.9666 18.46633 260.8412 18.98476 50.12534       26.48446 
1 1 1 -4  -4  24 o 65.84447 21.83176 102.7020       80.12186 158.1974       152.3722 81.49370       94.19566 83.78883 30.00247 63.58027 23.46649 20.20856       38.08969 
1 1 1 -4  -4  25 o 106.6108 20.88769 289.4683       102.6538 561.3600       277.4402 246.3414       110.4957 142.6002 39.39202 97.57563 23.88288 45.02460       46.06651 
1 1 1 -4  -4  26 o 289.8148 14.08913 2045.594       194.6300 2066.375       298.4002 2030.207       256.7650 287.6020 21.86584 286.6508 18.84033 0.9511108      28.86300 
1 1 1 -4  -4  27 f 282.2806 13.93624 1942.790       187.4952 2106.080       290.1606 1825.732       245.6739 290.3728 21.04413 271.3210 19.06072 19.05179       28.39307 
1 1 1 -4  -4  28 o 76.30370 23.64290 147.1879       95.12354 -191.2068      189.7826 260.7243       109.9290 56.30637 26.63587 100.0337 23.40389 -43.72732      35.45718 
1 1 1 -4  -4  29 o 71.71337 25.13931 120.3555       106.4967 -52.29868      341.7444 138.9256       112.0777 86.79916 39.09908 75.66261 25.82517 11.13655       46.85806 
1 1 1 -4  -4  30 o 107.3994 21.80346 300.9802       108.1249 439.8017       203.2916 246.2179       127.6826 124.9413 33.39340 95.72150 26.82893 29.21980       42.83586 
1 1 1 -4  -4  31 o 54.32469 25.11402 -94.70671      153.3390 -70.90289      197.6950 -130.6527      242.9391 64.29839 29.27107 67.66492 31.39579 -3.366524      42.92425 
1 1 1 -4  -4  32 o 68.32449 28.75029 52.95529       159.6588 38.22419       208.0605 74.05342       248.9969 73.73642 31.95945 81.56441 35.15601 -7.827988      47.51160 
1 1 1 -4  -4  33 o 178.4639 20.17944 831.2180       169.1572 1803.345       370.4697 575.1589       190.1346 249.7301 31.74590 141.9238 29.00243 107.8063       42.99934 
1 1 1 -4  -4  34 o 114.5044 25.36246 370.4256       135.1809 251.5151       228.2175 434.6964       167.7822 92.48059 35.96173 121.3120 29.26830 -28.83141      46.36680 
1 1 1 -4  -4  35 o 140.4219 22.35484 545.9726       145.0507 709.0704       244.1535 457.0064       180.3230 146.1089 35.34169 120.4369 31.10178 25.67197       47.07819 
1 1 1 -4  -3  1  o 409.7117 15.15090 4044.769       296.2624 4097.456       419.0512 3992.119       418.9054 410.7619 21.41266 405.3494 21.69518 5.412476       30.48250 
1 1 1 -4  -3  2  o 248.4519 10.88778 1483.754       129.0132 1479.934       182.5761 1487.564       182.3285 247.4317 15.51211 248.0822 15.44939 -0.6505127     21.89313 
1 1 1 -4  -3  3  o 221.9764 6.902907 1180.869       73.16763 1182.706       104.4943 1179.102       102.4843 221.8533 9.876622 221.5349 9.699755 0.3184509      13.84315 
1 1 1 -4  -3  4  o 214.9538 14.48380 1118.172       147.9766 0.000000       0.000000 1118.172       147.9766 ?        ?        214.9538 14.48380 0.000000       14.48380 
1 1 1 -4  -3  5  o 361.0764 9.086437 3129.846       156.7314 3393.141       345.3264 3061.539       175.8910 373.1930 19.42160 356.8921 10.31940 16.30087       21.99292 
1 1 1 -4  -3  6  o 122.2759 8.755054 360.5793       50.84221 343.1980       70.64674 379.2529       73.22609 118.6963 12.64374 124.8775 12.43005 -6.181198      17.73049 
1 1 1 -4  -3  7  o 156.9628 7.896908 592.3090       59.06971 672.4742       85.66615 519.6454       81.55943 166.8835 10.79503 146.4608 11.74621 20.42261       15.95325 
1 1 1 -4  -3  8  o 135.3440 8.772956 441.3036       56.46079 418.1333       83.43047 460.8811       76.68996 131.0141 13.51347 137.9134 11.74275 -6.899307      17.90269 
1 1 1 -4  -3  9  f 279.2640 11.80815 1877.822       157.2983 1915.776       223.3251 1840.455       221.5919 281.0739 16.69435 275.4228 16.91003 5.651184       23.76237 
1 1 1 -4  -3  10 o 328.5968 9.069231 2589.644       142.3399 2411.460       284.8315 2648.954       164.3308 315.3048 18.98301 332.1751 10.36036 -16.87030      21.62618 
1 1 1 -4  -3  11 o 1075.431 13.17904 27767.12       677.6019 29308.14       2634.661 27657.97       701.1888 1071.094 51.60220 1073.140 13.66691 -2.045776      53.38138 
1 1 1 -4  -3  12 o 272.9001 8.201685 1784.505       106.8863 1911.924       156.2518 1672.440       146.5357 282.1567 11.60793 263.8588 11.64487 18.29794       16.44223 
1 1 1 -4  -3  13 o 221.4743 10.89312 1178.360       114.9872 1234.455       164.4478 1124.697       160.8450 226.1666 15.29870 215.7741 15.69933 10.39250       21.92075 
1 1 1 -4  -3  14 o 319.0159 13.20562 2446.416       200.9738 2587.582       288.1613 2312.718       280.4359 327.2473 18.49364 309.2151 19.06255 18.03214       26.55928 
1 1 1 -4  -3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -3  16 o 428.9423 9.380546 4407.969       192.3691 3868.625       287.4458 4845.480       258.8912 400.8740 15.02481 449.2408 12.06488 -48.36679      19.26931 
1 1 1 -4  -3  17 o 129.9195 14.62668 410.8965       89.27393 68.00981       143.0484 629.6389       114.2547 71.09579 28.21985 161.1122 15.00582 -90.01646      31.96146 
1 1 1 -4  -3  18 o 98.71189 17.53404 242.0374       79.71700 413.3907       140.1017 160.0017       96.93903 128.4316 23.68980 80.40498 23.64670 48.02658       33.47197 
1 1 1 -4  -3  19 f 292.4594 11.71467 2058.419       163.4649 2347.483       280.5057 1909.774       201.1501 310.7173 18.97332 281.0677 15.02387 29.64954       24.20131 
1 1 1 -4  -3  20 o 238.6884 13.44057 1376.888       152.7563 1388.536       272.4082 1371.545       184.4936 236.7906 24.41236 237.6074 16.34050 -0.8167725     29.37644 
1 1 1 -4  -3  21 o 254.4430 12.93142 1564.663       156.7901 1797.014       274.1891 1451.771       191.1209 270.2702 21.39432 244.2320 16.46427 26.03825       26.99610 
1 1 1 -4  -3  22 o 202.4596 13.82664 995.2472       133.0298 960.0126       199.0767 1023.675       178.8153 196.6774 21.52281 204.1110 18.52600 -7.433624      28.39795 
1 1 1 -4  -3  23 o 298.2340 12.18327 2150.070       173.3461 2412.009       297.1304 2014.917       213.4319 313.0483 19.95697 287.6727 15.57669 25.37561       25.31628 
1 1 1 -4  -3  24 o 309.9967 12.18840 2324.136       180.2872 2502.194       311.3590 2234.325       221.1289 318.3237 20.56910 302.9202 15.31866 15.40350       25.64662 
1 1 1 -4  -3  25 o 128.8271 21.37783 420.0374       127.0545 359.4729       182.1790 477.3920       177.2853 116.2879 31.84094 135.0852 28.35588 -18.79735      42.63685 
1 1 1 -4  -3  26 o 70.49561 28.40764 69.79978       147.2074 123.3812       293.6691 51.81804       170.1246 95.04283 39.41592 72.17148 29.97160 22.87135       49.51678 
1 1 1 -4  -3  27 o 196.8074 14.07531 946.9863       131.5622 1449.616       226.1134 689.7365       161.7631 241.3091 19.77271 165.4772 20.91342 75.83192       28.78074 
1 1 1 -4  -3  28 o 92.35990 23.03569 222.2003       101.3700 244.6566       203.2276 214.7627       116.9586 98.73999 34.71882 90.63659 25.77295 8.103401       43.23935 
1 1 1 -4  -3  29 o 85.12917 25.48597 188.0969       111.8050 511.7921       342.1271 149.3950       118.3002 132.7329 45.12428 78.15804 26.53489 54.57485       52.34788 
1 1 1 -4  -3  30 o 63.64901 24.35962 78.49692       103.5202 -64.85635      215.7230 121.3846       117.9937 68.20167 30.86082 72.74621 26.35609 -4.544540      40.58367 
1 1 1 -4  -3  31 o 140.8900 25.97491 530.6090       168.5171 665.6119       220.9006 342.6681       260.6370 155.0620 30.88321 109.9260 39.25332 45.13596       49.94593 
1 1 1 -4  -3  32 o 62.22657 28.85263 -113.3505      204.6418 -60.05120      343.2349 -142.7464      254.9021 83.29890 38.16642 68.22765 31.82595 15.07124       49.69473 
1 1 1 -4  -3  33 o 122.0571 24.28201 406.4194       136.7083 330.2974       224.6397 451.1939       172.2845 104.2759 36.51458 125.4519 29.26387 -21.17599      46.79411 
1 1 1 -4  -3  34 o 76.27634 27.63632 154.4109       129.7369 317.5551       216.7054 63.27151       161.9709 100.3565 35.79741 67.68372 28.74155 32.67282       45.90786 
1 1 1 -4  -3  35 o 69.47132 28.41381 102.3609       149.8399 358.7582       372.5019 52.86526       163.6649 100.2242 43.09711 65.69474 28.40978 34.52946       51.61856 
1 1 1 -4  -3  36 o 55.26057 25.95857 -81.09866      174.6261 -139.8231      224.3372 9.193700       278.1745 58.78697 28.13075 71.65813 33.36623 -12.87116      43.64223 
1 1 1 -4  -2  1  o 390.4432 8.800001 3652.074       164.2665 3685.161       182.5293 3511.108       376.7562 392.1123 9.736746 380.3958 20.79560 11.71655       22.96217 
1 1 1 -4  -2  2  o 305.8218 12.35604 2249.417       180.2857 2198.572       255.1004 2300.152       254.8247 301.3547 17.78526 308.3521 17.35573 -6.997314      24.85029 
1 1 1 -4  -2  3  o 30.51927 8.930156 22.70243       13.85541 33.63840       20.72201 13.86020       18.63305 37.15545 10.93447 27.82988 10.40538 9.325569       15.09419 
1 1 1 -4  -2  4  o 28.21322 10.83267 12.66673       20.51643 25.21363       31.46325 3.385235       27.06104 36.67637 13.55775 28.47155 11.89879 8.204823       18.03868 
1 1 1 -4  -2  5  o 195.6810 8.135347 919.3953       75.94250 948.9604       95.00589 867.0734       126.3871 198.5811 10.03958 189.1724 14.07538 9.408722       17.28900 
1 1 1 -4  -2  6  o 226.9707 8.538629 1237.558       92.48923 1223.004       112.7173 1267.549       161.8112 225.3468 10.49119 228.5728 14.88832 -3.226013      18.21338 
1 1 1 -4  -2  7  o 467.4789 17.17253 5311.534       383.1473 4918.754       542.1913 5703.333       541.5135 445.3880 25.57024 480.9414 23.62325 -35.55338      34.81229 
1 1 1 -4  -2  8  o 213.6624 7.694321 1095.910       78.46880 1094.074       112.9594 1097.623       109.0853 212.9922 11.13167 213.4052 10.72624 -0.4130249     15.45853 
1 1 1 -4  -2  9  o 65.13168 10.94066 104.6661       32.86114 200.2204       49.03434 26.76217       44.27464 90.53433 11.59445 41.16712 15.88544 49.36721       19.66668 
1 1 1 -4  -2  10 o 399.8714 15.09574 3857.194       288.0730 3772.922       408.0887 3940.897       406.7083 393.5520 21.77410 402.4312 21.21386 -8.879181      30.39966 
1 1 1 -4  -2  11 f 1647.365 17.30819 65395.38       1363.169 65246.23       1397.957 68280.82       6148.768 1645.126 17.77404 1550.514 83.25291 94.61206       85.12910 
1 1 1 -4  -2  12 o 248.1171 9.511772 1476.818       112.6215 1730.076       197.3511 1354.513       137.1456 267.8497 15.47724 237.3340 12.12706 30.51566       19.66241 
1 1 1 -4  -2  13 o 592.7780 20.77818 8488.836       587.9438 8422.603       832.5379 8554.734       830.4225 587.2365 29.75089 591.9683 29.43450 -4.731873      41.85099 
1 1 1 -4  -2  14 o 272.6557 9.456089 1782.771       123.0769 1492.848       215.6310 1922.863       149.8916 248.3144 18.29195 283.0124 11.09958 -34.69803      21.39617 
1 1 1 -4  -2  15 o 968.6129 33.03886 23028.38       1527.733 22736.37       2162.161 23319.52       2158.924 949.0413 47.80744 961.9183 47.08825 -12.87701      67.10331 
1 1 1 -4  -2  16 o 447.9396 17.08064 4838.312       365.1198 4520.423       520.9415 5145.252       511.8923 430.6793 25.41331 460.2465 23.33995 -29.56717      34.50492 
1 1 1 -4  -2  17 o 196.4055 13.45992 930.9461       125.6236 677.5179       192.5969 1118.604       165.7316 165.1480 25.18917 214.9495 16.24757 -49.80142      29.97462 
1 1 1 -4  -2  18 o 147.1920 14.57079 526.2773       101.1918 278.8919       156.6571 703.4015       132.5568 105.1618 29.80270 170.0468 16.51283 -64.88497      34.07160 
1 1 1 -4  -2  19 o 598.4490 11.55343 8603.012       330.5571 8290.794       843.4301 8659.672       359.3015 578.3555 30.61226 600.1613 12.52226 -21.80579      33.07442 
1 1 1 -4  -2  20 o 58.84601 25.57293 -16.54652      133.9387 11.79520       233.9941 -30.35766      163.3452 80.25858 34.32756 63.82686 27.97866 16.43172       44.28529 
1 1 1 -4  -2  21 o 462.5415 17.63921 5200.509       389.3512 5001.675       552.1281 5397.192       549.1355 449.3745 25.80795 467.5608 24.65304 -18.18631      35.69065 
1 1 1 -4  -2  22 o 230.1358 13.40371 1283.333       146.8365 1249.749       222.9517 1309.058       195.1339 224.9163 20.97578 231.2693 17.78494 -6.352966      27.50068 
1 1 1 -4  -2  23 o 193.5964 13.94943 911.7216       128.2450 981.0495       205.3697 867.4067       164.1940 198.3941 22.02263 187.5583 18.55387 10.83578       28.79657 
1 1 1 -4  -2  24 o 232.0934 15.10369 1313.268       166.6820 1331.476       304.8578 1305.504       199.0722 228.1782 28.57021 230.3893 18.22168 -2.211136      33.88638 
1 1 1 -4  -2  25 o 449.1666 17.27562 4937.686       370.2876 5131.963       534.9061 4758.923       513.1053 452.3915 24.82692 435.6704 24.73592 16.72113       35.04628 
1 1 1 -4  -2  26 o 397.2690 16.19708 3859.487       306.9858 3943.085       448.6104 3785.866       420.9915 396.4724 23.77650 389.2574 22.72062 7.215057       32.88691 
1 1 1 -4  -2  27 o 47.48797 22.97727 -239.8741      159.6832 -188.6009      312.0902 -258.0573      185.8533 76.54288 35.53897 52.03259 25.08035 24.51030       43.49761 
1 1 1 -4  -2  28 o 368.7041 11.63136 3295.329       204.7733 3536.920       410.6589 3215.379       236.2389 374.5474 23.04486 363.2628 13.62676 11.28458       26.77226 
1 1 1 -4  -2  29 o 60.74567 24.08351 57.37521       104.0722 -251.6153      206.5043 162.5736       120.4928 56.10942 26.88690 80.69551 26.77337 -24.58609      37.94363 
1 1 1 -4  -2  30 o 121.0140 21.48891 378.4958       119.7709 337.3248       221.4404 395.5205       142.3971 110.1570 36.28523 122.1999 25.21067 -12.04290      44.18366 
1 1 1 -4  -2  31 o 380.1581 14.14509 3553.931       256.6377 3797.616       439.5339 3427.879       316.1202 383.0038 24.12644 370.2458 17.91201 12.75800       30.04871 
1 1 1 -4  -2  32 o 74.70161 31.83785 58.08129       200.0126 -65.93625      345.4972 120.5954       245.2969 83.30730 38.21554 85.44254 35.77429 -2.135246      52.34718 
1 1 1 -4  -2  33 o 261.3381 16.05920 1716.551       199.6791 1534.532       300.5318 1860.410       267.1793 236.8431 27.02426 267.5047 21.06094 -30.66156      34.26184 
1 1 1 -4  -2  34 o 71.01375 27.80049 115.1475       137.1292 23.31120       222.0847 171.7361       174.3315 71.52647 31.92176 81.27057 31.47821 -9.744095      44.83165 
1 1 1 -4  -2  35 f 116.1226 32.11276 425.9941       184.2657 406.9917       237.6705 454.6273       291.7469 108.3156 37.58229 110.4951 41.20151 -2.179436      55.76731 
1 1 1 -4  -2  36 o 69.33454 27.79786 120.7745       140.1929 200.3108       230.8558 74.30614       176.4561 82.22442 34.58365 67.46279 29.33469 14.76163       45.34924 
1 1 1 -4  -1  1  f 416.4836 7.030281 4152.329       139.9842 4100.907       198.3006 4203.406       197.6360 413.5926 10.02866 418.7482 9.871993 -5.155579      14.07232 
1 1 1 -4  -1  2  o 384.8927 6.974642 3546.467       128.3423 3627.604       182.1013 3466.385       180.9115 388.8700 9.802720 380.1028 9.963948 8.767242       13.97761 
1 1 1 -4  -1  3  o 70.77077 8.084650 121.5340       26.86399 128.1735       39.09979 115.5975       36.97225 72.14867 11.73859 68.43781 11.72117 3.710861       16.58856 
1 1 1 -4  -1  4  o 307.2670 12.36117 2273.055       181.2160 2322.438       256.5969 2223.917       255.9606 309.5197 17.41041 302.7769 17.76043 6.742798       24.87077 
1 1 1 -4  -1  5  o 265.3804 11.40279 1695.749       144.3357 1674.466       204.4656 1716.889       203.7792 262.7057 16.36076 266.0879 16.09391 -3.382263      22.94969 
1 1 1 -4  -1  6  o 295.5047 7.212130 2092.752       101.8911 2077.120       145.3113 2107.872       142.9103 293.8206 10.36069 296.0356 10.11229 -2.214905      14.47765 
1 1 1 -4  -1  7  o 129.9740 8.246046 406.8861       50.97601 425.0923       68.20428 383.8449       76.72807 132.5043 10.86172 125.5108 12.97368 6.993500       16.92020 
1 1 1 -4  -1  8  o 211.2060 8.638518 1072.118       87.04352 1130.306       149.2163 1042.104       107.1661 215.8248 14.54623 207.9028 10.81896 7.922043       18.12851 
1 1 1 -4  -1  9  o 170.5836 8.858639 699.8331       71.99827 745.3775       113.9964 669.6094       92.86414 175.3435 13.70743 166.4608 11.74422 8.882645       18.05049 
1 1 1 -4  -1  10 o 356.3568 9.375193 3046.991       159.5865 3133.578       184.5871 2790.709       317.5661 361.1854 10.70144 338.8548 19.68731 22.33057       22.40783 
1 1 1 -4  -1  11 o 1079.945 9.581132 27949.86       494.6828 28733.54       704.3696 27187.11       694.9009 1093.633 13.47165 1063.720 13.66430 29.91284       19.18850 
1 1 1 -4  -1  12 o 454.7235 10.11899 4954.669       219.9849 5017.960       245.7771 4699.708       493.2957 457.4909 11.23701 439.9473 23.53868 17.54358       26.08333 
1 1 1 -4  -1  13 o 233.7994 10.10906 1312.052       112.7289 1393.412       151.6371 1211.535       168.5456 240.6102 13.23301 223.9563 15.84376 16.65390       20.64309 
1 1 1 -4  -1  14 o 206.5259 9.268852 1023.621       91.28529 1203.158       131.2320 855.3101       127.0627 223.6284 12.32215 188.1970 14.22741 35.43135       18.82165 
1 1 1 -4  -1  15 o 752.8301 11.06299 13587.33       398.1788 9703.362       1138.455 14128.66       425.0225 625.2847 38.26614 767.5737 11.58200 -142.2890      39.98049 
1 1 1 -4  -1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  -1  17 o 301.0055 12.29872 2178.403       176.6148 1543.680       269.8997 2653.729       233.5641 251.3723 22.70273 331.8766 14.75736 -80.50423      27.07755 
1 1 1 -4  -1  18 o 105.6505 23.65630 281.8199       116.5092 -3.617505      149.0007 730.9588       186.9060 63.76471 27.33537 171.9443 23.33863 -108.1796      35.94321 
1 1 1 -4  -1  19 o 113.7217 23.07903 326.0148       121.1855 252.1989       160.1685 424.8524       185.3376 100.5699 30.59105 128.6650 30.58196 -28.09513      43.25586 
1 1 1 -4  -1  20 o 357.4105 14.79732 3087.351       252.3006 3264.891       367.2664 2928.688       347.1931 365.5246 21.10605 346.1410 21.08015 19.38358       29.83015 
1 1 1 -4  -1  21 o 162.6996 14.92098 644.9437       114.7714 546.9671       183.8351 707.5244       146.9222 146.4671 27.25587 169.6765 18.40610 -23.20940      32.88871 
1 1 1 -4  -1  22 o 252.3172 13.58207 1542.358       163.2366 1657.810       246.5869 1452.297       217.7889 259.6425 20.01937 243.3096 18.87008 16.33282       27.51100 
1 1 1 -4  -1  23 o 168.6750 17.00853 699.5239       135.2883 502.6732       282.8847 757.8987       154.0472 136.1292 40.48781 175.1526 18.68439 -39.02344      44.59113 
1 1 1 -4  -1  24 o 367.6470 12.69823 3271.337       222.8589 3873.432       405.6360 3011.021       266.7195 395.6288 21.52680 351.4583 15.91478 44.17041       26.77094 
1 1 1 -4  -1  25 o 124.4492 19.11547 388.4425       110.1014 692.6086       192.0185 239.4574       134.3875 164.6998 25.18496 96.06416 27.72599 68.63567       37.45681 
1 1 1 -4  -1  26 o 194.4246 14.98356 925.3527       138.2017 1138.270       226.5455 799.1497       174.4155 212.7559 22.61857 178.6249 20.81317 34.13103       30.73740 
1 1 1 -4  -1  27 o 66.68386 24.67271 92.29327       104.2404 -156.5281      189.3889 200.4326       124.8540 58.33968 27.28546 88.15002 27.04707 -29.81034      38.41926 
1 1 1 -4  -1  28 o 206.8445 17.20392 1059.087       168.5909 1305.719       244.8782 836.8476       232.4537 226.9709 22.87877 178.6095 28.15346 48.36137       36.27748 
1 1 1 -4  -1  29 o 92.35175 25.24749 224.4510       114.6447 173.9230       202.0837 248.4309       139.2160 89.35049 34.07433 96.76432 28.30509 -7.413834      44.29715 
1 1 1 -4  -1  30 o 117.5021 25.17737 366.0623       137.1821 715.9169       359.9919 306.6277       148.3777 151.9478 45.78669 106.3206 28.57884 45.62717       53.97380 
1 1 1 -4  -1  31 o 133.5952 26.90896 481.7711       165.9192 382.4540       234.8600 580.7257       234.4309 114.7512 37.34329 142.0133 34.80419 -27.26211      51.04756 
1 1 1 -4  -1  32 o 90.19548 27.85207 221.6562       132.1393 107.6818       347.8535 240.8764       142.8472 93.35711 40.87881 93.57135 28.96954 -0.2142410     50.10300 
1 1 1 -4  -1  33 o 45.29675 21.12214 -83.77471      112.1199 -348.4214      206.6036 26.69947       133.4858 50.32517 24.73175 60.58053 25.91958 -10.25536      35.82575 
1 1 1 -4  -1  34 o 89.55466 33.84829 231.0481       198.3315 473.3591       363.7026 128.4984       236.6067 113.0724 44.95977 81.24252 34.62691 31.82990       56.74860 
1 1 1 -4  -1  35 o 152.7186 19.55704 620.3723       139.5189 758.4753       238.7509 548.7553       171.9299 155.6300 33.10671 137.4002 27.13629 18.22986       42.80692 
1 1 1 -4  -1  36 o 85.64056 29.11106 231.1975       142.3906 401.6710       377.6647 202.9489       153.7361 97.50157 42.64642 81.07351 29.96919 16.42806       52.12360 
1 1 1 -4  0   1  o 122.1491 6.724026 358.2440       39.11555 357.2738       55.65045 359.1913       54.99094 121.6990 9.643529 122.0435 9.499480 -0.3445053     13.53654 
1 1 1 -4  0   2  o 219.8276 6.836414 1158.057       71.76138 1099.071       102.0929 1215.660       100.8897 213.8385 10.01403 224.9882 9.400185 -11.14964      13.73478 
1 1 1 -4  0   3  o 207.9524 6.940876 1036.658       68.90926 984.7025       98.29137 1086.878       96.63456 202.3313 10.19402 212.6746 9.528240 -10.34325      13.95368 
1 1 1 -4  0   4  o 453.4160 16.53247 4974.511       357.7794 4957.910       506.2919 4991.072       505.6616 449.8450 23.62407 451.4025 23.51187 -1.557556      33.33023 
1 1 1 -4  0   5  f 324.4085 12.92880 2539.097       200.1190 2515.960       283.4478 2562.092       282.5761 321.3740 18.52672 324.3911 18.29455 -3.017151      26.03709 
1 1 1 -4  0   6  f 154.0232 8.054203 570.5061       59.10244 598.9824       97.26271 553.8358       74.41767 157.0829 13.06946 151.4530 10.33957 5.629898       16.66486 
1 1 1 -4  0   7  o 214.7561 10.18809 1110.975       104.3054 1230.540       148.8773 995.7039       146.1798 225.3261 13.88749 202.3051 15.22548 23.02100       20.60770 
1 1 1 -4  0   8  o 190.6473 8.683669 873.8639       78.94059 1025.440       106.8699 691.8509       117.1091 206.2332 10.87744 168.6132 14.67348 37.62000       18.26554 
1 1 1 -4  0   9  o 258.0528 11.47647 1603.724       141.2334 1574.485       201.1709 1632.144       198.3277 254.6510 16.61458 259.4182 16.06985 -4.767258      23.11460 
1 1 1 -4  0   10 o 243.4171 9.097961 1422.251       105.6911 1386.725       184.2429 1439.676       129.0333 239.2785 16.20120 244.6660 11.05972 -5.387451      19.61622 
1 1 1 -4  0   11 f 549.2485 7.997653 7223.742       210.0099 7182.372       302.2831 7262.340       291.9824 547.1629 11.55550 550.2768 11.09857 -3.113892      16.02211 
1 1 1 -4  0   12 o 452.9281 9.925514 4915.113       214.9268 4733.548       501.1251 4956.039       237.9200 441.4628 23.83179 454.6973 10.94461 -13.23447      26.22477 
1 1 1 -4  0   13 f 385.2291 8.198792 3552.779       151.0001 3660.951       221.6502 3459.097       206.2711 390.5484 11.88476 379.6841 11.37621 10.86432       16.45193 
1 1 1 -4  0   14 o 315.6353 9.927220 2389.246       149.6171 2326.246       277.9442 2414.949       177.5336 310.1300 18.83466 317.1273 11.72971 -6.997345      22.18853 
1 1 1 -4  0   15 o 191.7363 11.07957 884.3193       101.1305 1177.108       158.8468 684.7545       131.1425 220.7842 15.14046 167.8966 16.55286 52.88754       22.43280 
1 1 1 -4  0   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0   17 o 538.0878 13.17286 6954.882       338.8767 6853.992       384.0936 7309.295       719.8936 533.5637 15.07224 546.4965 27.64301 -12.93280      31.48505 
1 1 1 -4  0   18 o 185.8401 14.27060 835.6677       125.8213 709.9177       190.8842 932.2789       167.3130 169.1410 24.30241 195.6698 18.09010 -26.52878      30.29619 
1 1 1 -4  0   19 o 359.1768 11.80513 3103.219       202.4402 3125.810       317.4191 3087.729       262.8318 358.8453 18.56507 357.4942 15.41425 1.351135       24.13008 
1 1 1 -4  0   20 o 143.8976 16.54826 507.2394       111.7750 226.7706       177.9509 690.0018       143.6486 97.32055 32.54293 167.7457 18.20336 -70.42515      37.28813 
1 1 1 -4  0   21 o 224.3499 14.96250 1222.041       159.5692 1480.558       285.4349 1104.520       192.4511 243.9509 24.81871 212.1689 19.17967 31.78200       31.36603 
1 1 1 -4  0   22 o 78.62171 27.17013 142.3127       124.1667 77.92403       162.1778 233.5184       193.0179 74.63920 29.90718 98.59280 33.88380 -23.95361      45.19459 
1 1 1 -4  0   23 o 328.8602 11.48242 2611.009       180.2546 2483.331       323.7427 2668.374       217.0022 316.8147 21.50142 331.7643 13.71081 -14.94962      25.50093 
1 1 1 -4  0   24 o 188.9350 14.74922 871.5751       132.1713 968.8048       209.0849 806.8624       170.5760 196.5869 22.66056 180.1018 20.15558 16.48505       30.32736 
1 1 1 -4  0   25 o 85.43513 24.32718 187.4222       104.1339 11.90474       174.5406 284.4269       129.7576 69.00574 29.58390 104.4013 26.07568 -35.39555      39.43537 
1 1 1 -4  0   26 o 113.0961 26.73377 335.8051       142.2515 595.3452       191.1189 13.42258       213.0037 151.1884 27.45171 75.30016 32.48637 75.88823       42.53187 
1 1 1 -4  0   27 o 245.1987 14.61441 1470.692       170.5427 1584.226       262.8258 1388.123       224.1358 250.9227 22.13559 235.8288 20.07003 15.09395       29.87960 
1 1 1 -4  0   28 o 234.8255 15.94726 1357.542       177.9736 1448.313       256.1074 1272.771       247.4986 239.1420 22.67126 223.6017 23.50301 15.54030       32.65543 
1 1 1 -4  0   29 o 121.8533 21.62592 381.7525       121.3714 451.8177       205.7367 344.3517       150.3145 127.8831 33.32058 113.3829 27.91833 14.50024       43.47061 
1 1 1 -4  0   30 f 99.93282 25.16385 266.2061       120.1333 575.3662       207.7393 110.8702       147.2526 144.8899 30.93127 74.74052 28.93541 70.14938       42.35566 
1 1 1 -4  0   31 o 159.1196 23.20732 661.1544       171.3500 1068.762       235.6805 204.1014       249.5663 201.6730 24.97713 94.32716 37.32721 107.3459       44.91300 
1 1 1 -4  0   32 o 179.2427 19.55500 821.7253       164.8597 1193.937       349.1816 714.9568       187.0158 200.6303 37.78980 164.0424 24.60381 36.58788       45.09342 
1 1 1 -4  0   33 o 71.93121 26.59197 124.0959       121.0439 -47.47068      208.6576 211.1172       148.6041 66.23096 30.11999 87.45676 29.73927 -21.22579      42.32774 
1 1 1 -4  0   34 o 69.19510 30.66452 26.77176       201.3011 167.9924       356.6967 -39.22453      243.8427 91.20344 40.59520 69.70527 32.02349 21.49817       51.70565 
1 1 1 -4  0   35 f 107.8375 26.23647 339.4982       133.9563 82.44996       229.5108 472.3062       164.9711 75.20123 33.05827 126.2226 28.06410 -51.02139      43.36407 
1 1 1 -4  0   36 o 136.7052 34.42955 641.5457       224.8623 657.8611       387.1111 633.2372       276.2456 114.1499 46.04284 125.5906 40.47036 -11.44067      61.30083 
1 1 1 -4  1   1  o 195.9647 6.708571 920.5765       62.75891 888.5951       88.84490 952.4280       88.66437 192.2275 9.698712 199.0705 9.342152 -6.842987      13.46628 
1 1 1 -4  1   2  o 413.5798 7.092426 4096.860       140.2370 4052.234       198.8160 4141.049       197.8376 410.9030 10.12054 415.4074 9.961535 -4.504486      14.20062 
1 1 1 -4  1   3  o 572.9505 9.693296 7878.584       265.5198 7116.473       741.7063 7990.608       284.3655 535.3521 29.08832 576.8582 10.31097 -41.50610      30.86173 
1 1 1 -4  1   4  f 480.9317 9.496175 5552.963       218.3436 5588.333       237.9235 5364.214       549.6204 482.2727 10.31897 466.2978 24.74278 15.97491       26.80832 
1 1 1 -4  1   5  o 281.2523 11.74877 1907.575       157.6301 1996.449       223.3520 1819.381       222.4958 286.5786 16.36998 273.3197 17.11304 13.25885       23.68190 
1 1 1 -4  1   6  o 164.0467 9.466282 648.5100       73.92768 627.9935       105.2226 668.5099       103.8892 160.6851 13.83146 165.9463 13.20346 -5.261154      19.12173 
1 1 1 -4  1   7  o 250.1086 11.19795 1507.882       133.5589 1457.086       189.4800 1558.040       188.2872 244.7130 16.28836 253.2566 15.62687 -8.543625      22.57232 
1 1 1 -4  1   8  o 508.1815 9.946829 6200.808       241.6640 6218.645       621.2571 6197.628       262.3243 501.8576 25.98146 507.8485 10.80429 -5.990875      28.13839 
1 1 1 -4  1   9  o 104.0638 10.49062 262.5265       51.48097 331.7152       85.33610 222.9385       64.55013 116.2366 15.76188 95.11328 14.66628 21.12332       21.52990 
1 1 1 -4  1   10 o 474.2213 9.962725 5391.769       225.8747 5471.568       249.8806 5035.292       528.1402 477.5711 10.94425 454.2985 24.40600 23.27264       26.74752 
1 1 1 -4  1   11 o 1090.799 9.672403 28509.21       504.4142 29339.30       717.9761 27700.18       708.8111 1105.307 13.58685 1073.907 13.80560 31.39941       19.37001 
1 1 1 -4  1   12 o 362.1003 9.992163 3143.797       172.8150 3198.172       201.6821 2993.584       335.2143 365.0330 11.57113 351.7192 20.01774 13.31378       23.12144 
1 1 1 -4  1   13 o 378.7887 14.54806 3451.380       262.9677 3545.926       373.3314 3358.279       370.4701 382.7895 20.47430 372.4002 20.89199 10.38934       29.25187 
1 1 1 -4  1   14 o 687.4523 11.18731 11330.51       367.6855 11112.11       1083.641 11358.92       390.8737 671.9661 33.83995 688.1838 11.88019 -16.21777      35.86477 
1 1 1 -4  1   15 o 653.5654 22.69816 10353.67       708.1551 10489.57       1002.829 10218.49       1000.142 653.3124 32.20611 644.6025 32.55890 8.709839       45.79646 
1 1 1 -4  1   16 o 421.9799 13.26604 4280.711       267.3016 4185.836       324.8713 4479.555       470.3184 416.6649 16.34026 429.2859 22.99987 -12.62100      28.21344 
1 1 1 -4  1   17 o 358.2319 13.99256 3089.730       239.1849 2869.826       312.2912 3401.776       372.0083 344.1669 19.05375 374.3152 20.87035 -30.14835      28.25981 
1 1 1 -4  1   18 o 627.7831 22.29450 9587.703       668.0757 9362.589       947.2670 9810.489       942.3557 614.4921 32.35795 629.7090 31.40067 -15.21686      45.08923 
1 1 1 -4  1   19 o 393.2490 12.38815 3722.624       232.6164 2963.485       402.9024 4102.197       284.8961 347.2490 24.42472 412.3127 14.47523 -65.06375      28.39189 
1 1 1 -4  1   20 o 447.6600 13.15134 4832.380       281.1615 5059.001       344.1122 4377.246       487.6635 457.1834 15.76710 421.6229 24.29577 35.56052       28.96353 
1 1 1 -4  1   21 o 248.9085 13.66609 1500.010       162.0029 1681.034       240.7818 1350.283       218.9802 261.9252 19.36513 234.4930 19.71529 27.43216       27.63514 
1 1 1 -4  1   22 o 396.7841 16.04854 3828.686       303.8094 3703.986       434.9792 3947.458       424.5147 386.4252 23.65818 399.7660 22.29992 -13.34082      32.51147 
1 1 1 -4  1   23 o 79.45480 26.04005 153.6581       114.1033 520.4964       262.1222 67.89388       126.7417 138.3659 38.31486 67.10757 26.58644 71.25829       46.63547 
1 1 1 -4  1   24 o 269.2274 19.56566 1789.891       250.1198 0.000000       0.000000 1789.891       250.1198 ?        ?        269.2274 19.56566 0.000000       19.56566 
1 1 1 -4  1   25 o 299.4911 14.44447 2184.501       206.2108 2362.610       304.6544 2033.904       280.1379 308.4978 20.77722 286.2279 20.60957 22.26990       29.26512 
1 1 1 -4  1   26 o 80.09072 31.41392 115.3588       175.3750 582.1456       295.3214 -138.9293      217.9710 143.4634 41.00621 64.85612 29.96848 78.60731       50.78996 
1 1 1 -4  1   27 o 375.4217 15.78696 3455.545       282.7195 3732.890       411.3463 3207.232       389.2220 385.3967 22.42181 356.7392 22.94282 28.65747       32.07975 
1 1 1 -4  1   28 o 65.99525 25.41008 81.17281       113.1061 316.9960       193.7114 -40.81472      139.3220 108.1268 33.77676 56.47852 25.23938 51.64826       42.16510 
1 1 1 -4  1   29 o 201.1415 21.82389 1026.636       206.5069 1962.727       350.7177 529.8613       255.4926 274.8983 27.03502 136.1953 37.87026 138.7031       46.53008 
1 1 1 -4  1   30 o 85.92896 26.76782 194.2427       121.7496 149.8527       214.2862 215.4030       147.9491 86.68987 34.49696 90.43278 29.65243 -3.742905      45.48963 
1 1 1 -4  1   31 f 254.8116 19.04340 1641.186       230.3136 2093.317       390.4291 1399.885       285.2261 277.5023 29.89975 229.5670 26.47214 47.93535       39.93456 
1 1 1 -4  1   32 o 157.5622 19.12170 635.7651       141.0965 761.9401       226.3897 555.6249       180.4243 165.5911 29.68695 142.3151 27.51312 23.27600       40.47575 
1 1 1 -4  1   33 o 62.43423 27.63223 -3.071061      162.9359 -184.2463      211.1888 263.3647       256.1047 58.22105 27.70226 97.09537 37.99782 -38.87432      47.02393 
1 1 1 -4  1   34 o 56.98516 25.46416 -11.89974      141.7906 512.1858       372.1657 -100.8885      153.3568 114.7002 45.52097 52.10207 24.42764 62.59811       51.66109 
1 1 1 -4  1   35 o 118.3692 26.03060 407.5082       143.2937 75.44869       241.5605 587.7961       177.9923 75.34303 33.47893 141.6815 27.26682 -66.33848      43.17775 
1 1 1 -4  1   36 o 164.2764 24.13164 781.1888       183.8814 1393.242       418.2609 634.5508       204.7273 175.6904 48.30193 139.3810 31.47043 36.30933       57.64949 
1 1 1 -4  2   1  o 187.9919 6.740800 847.7402       60.48608 839.9724       84.80241 855.7845       86.29765 186.8047 9.526831 188.5486 9.605070 -1.743866      13.52841 
1 1 1 -4  2   2  o 165.5026 6.874688 657.4434       54.27747 654.2064       75.86760 660.8373       77.68451 164.7657 9.673778 165.5760 9.858237 -0.8102875     13.81184 
1 1 1 -4  2   3  o 370.4709 8.892917 3294.270       157.5095 3179.768       346.1036 3324.179       176.8887 360.4203 20.16619 371.8253 9.959654 -11.40497      22.49155 
1 1 1 -4  2   4  o 163.9292 7.959507 646.0737       62.19433 563.9271       97.98997 701.4904       80.48360 152.2475 13.60566 170.5714 9.912153 -18.32382      16.83344 
1 1 1 -4  2   5  o 186.2106 8.432107 833.6682       74.87217 830.8038       121.9613 835.4006       94.84900 184.9822 13.89211 186.0778 10.70699 -1.095566      17.53939 
1 1 1 -4  2   6  o 88.55595 9.465311 190.4234       39.45314 170.8471       55.94749 209.7879       55.64407 82.90440 14.65117 92.41805 12.94851 -9.513641      19.55302 
1 1 1 -4  2   7  o 281.2346 8.861422 1899.167       118.9976 1677.975       216.8180 1994.517       142.3536 262.6296 17.36551 287.9820 10.35625 -25.35233      20.21912 
1 1 1 -4  2   8  o 310.5128 7.741726 2310.009       114.9279 2377.860       163.3462 2243.492       161.7311 314.5106 10.87977 305.4502 11.09345 9.060425       15.53815 
1 1 1 -4  2   9  o 48.49103 17.43727 47.73090       51.52971 139.0655       75.74990 -30.94005      70.30264 74.63591 20.56998 39.93996 17.88289 34.69595       27.25660 
1 1 1 -4  2   10 o 267.7894 8.297348 1718.950       106.1003 1735.140       152.1095 1703.610       148.0692 268.6632 11.87171 266.2327 11.66137 2.430542       16.64107 
1 1 1 -4  2   11 o 175.7814 10.29806 742.9871       86.16491 763.7124       122.9856 723.0064       120.7562 177.7066 14.60455 172.8525 14.75342 4.854095       20.75949 
1 1 1 -4  2   12 o 338.7619 10.25060 2752.344       165.8258 2699.304       195.1330 2890.214       314.6061 335.2484 12.19494 345.7644 19.10602 -10.51596      22.66620 
1 1 1 -4  2   13 o 146.8136 10.72089 519.3618       74.73112 609.8322       108.1983 436.8326       103.3405 158.6915 14.41852 133.7609 16.50970 24.93054       21.91949 
1 1 1 -4  2   14 o 399.8889 10.42636 3835.394       199.1635 3828.796       411.4041 3837.413       227.6131 397.3358 21.74004 399.7893 11.92184 -2.453430      24.79435 
1 1 1 -4  2   15 o 459.2821 17.01366 5087.092       372.9360 4738.288       528.1019 5434.078       526.7231 440.9270 25.15640 472.8922 23.37003 -31.96518      34.33661 
1 1 1 -4  2   16 o 168.3346 14.90786 686.8112       118.7376 658.4719       175.5319 710.7178       161.2201 163.2050 23.14488 170.3102 20.19269 -7.105209      30.71531 
1 1 1 -4  2   17 o 207.0076 14.14547 1035.395       139.1536 1055.372       205.2814 1018.411       189.2773 207.7038 20.95906 204.2897 19.62050 3.414047       28.70969 
1 1 1 -4  2   18 o 422.4980 16.77116 4316.663       338.0901 3579.248       481.0395 5036.511       475.2756 381.3061 26.55344 454.6065 21.93233 -73.30035      34.43998 
1 1 1 -4  2   19 o 184.3193 17.13467 828.9615       149.2633 815.0604       193.2038 849.5428       235.0859 181.3549 22.78489 183.7541 27.61283 -2.399261      35.79971 
1 1 1 -4  2   20 o 142.5769 17.12677 499.6056       114.4092 705.8531       171.5278 334.3095       153.5577 168.6047 21.78817 113.8824 28.32213 54.72235       35.73328 
1 1 1 -4  2   21 o 160.0872 18.93720 633.1091       142.1345 559.5135       180.6669 752.6426       230.2487 148.0995 26.48870 171.3344 29.15201 -23.23492      39.38897 
1 1 1 -4  2   22 o 72.63005 26.28130 112.8693       117.2780 -444.2113      264.1883 249.5927       130.8808 58.99244 28.77349 98.28281 27.01921 -39.29037      39.47089 
1 1 1 -4  2   23 o 533.2830 10.54487 6852.126       268.8482 7268.703       404.3723 6522.111       359.9164 546.5618 15.49074 518.2533 14.54055 28.30853       21.24595 
1 1 1 -4  2   24 f 77.99992 24.99470 150.4216       105.4729 290.9493       170.1737 62.76574       134.4008 105.3341 31.42063 67.58946 27.17630 37.74460       41.54283 
1 1 1 -4  2   25 o 76.33664 28.44720 121.4162       139.0369 26.59349       177.4708 272.1027       223.7216 70.77586 30.07117 104.1946 36.44320 -33.41873      47.24809 
1 1 1 -4  2   26 o 278.9341 14.78110 1901.655       196.4099 1873.441       293.8003 1924.452       264.0988 272.8234 22.73121 278.1016 19.99695 -5.278168      30.27517 
1 1 1 -4  2   27 o 151.4204 27.89703 605.0529       194.5143 733.9680       324.3721 532.6650       243.0663 158.7883 42.06413 137.9075 36.35648 20.88078       55.59843 
1 1 1 -4  2   28 o 151.0363 18.91119 573.6118       133.5704 642.9769       215.9593 530.6375       169.9830 154.6069 30.30083 142.2104 25.95766 12.39647       39.89913 
1 1 1 -4  2   29 o 58.75880 26.42086 -50.60702      155.2617 -72.39718      200.5887 -18.04095      245.2217 65.49094 29.68394 76.36800 33.84397 -10.87706      45.01723 
1 1 1 -4  2   30 o 54.53938 24.67967 -53.27071      137.9780 199.4902       353.5000 -98.69978      149.8654 101.8717 42.81812 53.42307 24.74300 48.44868       49.45308 
1 1 1 -4  2   31 o 120.8791 31.26883 414.8128       182.0571 561.2882       248.2171 244.2675       267.8361 137.0410 37.01908 98.69208 38.78801 38.34892       53.61829 
1 1 1 -4  2   32 o 144.8720 21.17801 547.8115       142.3488 720.1055       236.6339 450.1068       178.1967 158.4398 32.33529 125.9468 30.02052 32.49294       44.12259 
1 1 1 -4  2   33 o 77.41857 33.09313 90.33688       217.2331 -13.72037      374.7031 143.0176       266.6103 84.93636 39.26312 86.07892 36.72467 -1.142555      53.76146 
1 1 1 -4  2   34 o 168.6471 20.13936 756.7060       159.1745 572.4207       257.6320 870.4828       202.4331 128.4141 38.74256 176.8338 24.61058 -48.41971      45.89844 
1 1 1 -4  2   35 o 55.95049 26.44237 -113.8581      186.2040 -131.0139      240.7835 -88.33433      293.6929 62.43907 29.67222 70.05387 33.13789 -7.614803      44.48101 
1 1 1 -4  2   36 o 64.74369 28.45051 61.43076       169.8441 173.4284       440.2398 41.84589       184.0964 84.47511 40.13777 64.53414 28.91332 19.94097       49.46737 
1 1 1 -4  3   1  o 349.2203 5.669052 2920.245       94.64949 2809.009       163.6084 2976.200       116.0385 341.7403 10.02468 352.4070 6.887300 -10.66675      12.16261 
1 1 1 -4  3   2  o 142.4456 6.974368 487.4354       47.35220 474.5331       65.65009 501.4267       68.36463 140.1960 9.857538 144.1148 9.984073 -3.918823      14.03042 
1 1 1 -4  3   3  o 233.7197 8.144115 1311.826       90.86224 1340.668       108.4664 1243.968       166.3742 236.0628 9.631020 226.2159 15.47671 9.846924       18.22869 
1 1 1 -4  3   4  o 87.11869 8.718184 183.9026       35.82433 179.7166       49.32172 188.5772       52.12057 85.51375 12.42759 87.56239 12.83101 -2.048637      17.86281 
1 1 1 -4  3   5  o 244.4263 8.512712 1434.554       99.32553 1425.171       118.7674 1456.387       181.1626 243.3836 10.22980 245.0181 15.54559 -1.634476      18.60952 
1 1 1 -4  3   6  o 381.7506 7.409482 3491.335       135.2309 3426.699       190.6518 3556.782       191.8445 377.6261 10.57056 384.7571 10.43893 -7.131042      14.85624 
1 1 1 -4  3   7  o 161.6624 9.017123 628.4200       69.41624 571.0545       91.03107 708.1257       107.3022 153.6476 12.50031 171.0977 13.22011 -17.45015      18.19420 
1 1 1 -4  3   8  o 279.5961 11.92205 1879.893       158.9983 1943.829       224.6196 1815.686       225.0963 283.5299 16.64389 273.8689 17.27973 9.660950       23.99183 
1 1 1 -4  3   9  o 140.9778 9.890222 478.6120       66.23705 422.6728       91.23280 540.9645       96.32082 131.7999 14.73022 149.4664 13.62911 -17.66646      20.06818 
1 1 1 -4  3   10 o 321.7162 13.04447 2488.086       200.2194 2391.851       282.9280 2584.628       283.3786 314.4459 18.90743 327.0543 18.19508 -12.60837      26.24027 
1 1 1 -4  3   11 o 602.4368 10.67625 8698.403       307.4953 8786.173       331.3435 8153.685       825.4553 605.3497 11.44890 577.3484 30.00822 28.00128       32.11808 
1 1 1 -4  3   12 o 220.5880 10.38357 1168.688       109.1984 1154.502       166.1694 1179.471       144.8719 218.5290 16.01623 221.2123 13.76652 -2.683228      21.11958 
1 1 1 -4  3   13 o 450.5460 10.62297 4865.881       228.8196 4794.657       501.4796 4884.609       257.1494 444.1909 23.70010 451.0925 11.93420 -6.901581      26.53526 
1 1 1 -4  3   14 o 446.9305 8.733265 4784.230       186.6057 4935.232       266.4110 4638.790       261.4594 453.3257 12.30368 439.4642 12.45692 13.86157       17.50873 
1 1 1 -4  3   15 o 479.3177 17.57428 5546.021       402.0438 5675.025       569.3973 5417.759       567.7578 482.5687 24.76296 471.2816 25.29111 11.28705       35.39555 
1 1 1 -4  3   16 o 403.3256 13.68472 3914.850       263.4939 3927.274       332.9695 3894.036       430.9897 403.1555 17.31558 399.9346 22.63319 3.220886       28.49720 
1 1 1 -4  3   17 o 195.1604 15.01639 922.7277       139.0323 686.1417       205.6559 1121.871       188.6816 165.4261 26.92871 214.6086 18.57229 -49.18256      32.71216 
1 1 1 -4  3   18 o 224.1311 14.48113 1215.789       154.3414 942.1622       227.1668 1450.393       210.3459 194.6520 24.98608 244.0748 18.15619 -49.42279      30.88611 
1 1 1 -4  3   19 o 159.7280 19.90914 630.0070       148.7430 745.9528       191.6749 454.4836       235.8333 172.9151 23.81793 131.7636 36.28716 41.15152       43.40567 
1 1 1 -4  3   20 o 380.6909 15.66340 3515.051       284.4713 3744.277       409.4935 3301.248       395.4787 390.2103 22.03987 366.0083 22.71271 24.20206       31.64843 
1 1 1 -4  3   21 o 229.5386 14.44874 1280.361       157.7557 1391.276       234.8543 1189.171       212.9509 237.2557 20.91896 219.3470 20.54582 17.90869       29.32122 
1 1 1 -4  3   22 o 245.2187 15.45645 1466.595       180.2838 1896.228       254.3570 1032.865       255.5669 277.4883 19.29319 201.2342 27.26477 76.25404       33.40052 
1 1 1 -4  3   23 o 252.6023 14.48805 1553.932       174.2329 1796.611       259.2321 1353.981       235.3067 269.3684 20.27843 233.2029 21.34167 36.16553       29.43946 
1 1 1 -4  3   24 o 81.49109 25.63433 166.7677       111.3784 212.0027       177.4237 137.3481       143.0842 93.41142 32.46800 79.30741 28.98003 14.10401       43.52026 
1 1 1 -4  3   25 o 127.5251 20.87704 412.5620       122.8834 485.1452       196.2153 365.7234       157.6221 134.5694 31.11929 117.4895 28.38230 17.07989       42.11846 
1 1 1 -4  3   26 o 203.0529 16.00781 1015.425       154.1434 895.7295       236.2445 1104.158       203.4062 185.4555 27.47473 209.8612 20.53581 -24.40565      34.30132 
1 1 1 -4  3   27 o 86.03776 30.61966 178.3262       158.4632 489.5592       203.5481 -300.5127      252.4753 133.6793 32.22790 61.73323 29.62070 71.94611       43.77240 
1 1 1 -4  3   28 o 229.2290 17.67067 1305.547       192.1622 1549.224       362.3857 1210.225       226.6521 239.8154 32.43813 218.4009 22.00661 21.41452       39.19851 
1 1 1 -4  3   29 o 388.5273 14.61193 3704.304       270.9337 4030.190       461.8172 3533.276       334.5574 396.1895 24.50129 376.3937 18.64982 19.79584       30.79170 
1 1 1 -4  3   30 o 144.0815 21.54581 537.9684       143.8650 332.5601       238.7173 655.1219       180.2822 108.0968 37.65562 157.4266 24.77083 -49.32980      45.07261 
1 1 1 -4  3   31 o 60.17314 26.02691 11.75088       137.4135 137.3572       243.6116 -46.86295      166.4149 86.33456 35.86036 60.12771 27.16616 26.20685       44.98851 
1 1 1 -4  3   32 o 82.13660 29.42874 175.4519       146.6241 477.2931       412.0210 131.6838       156.8949 119.4083 47.72902 76.75095 29.82521 42.65734       56.28145 
1 1 1 -4  3   33 o 89.55759 28.61107 231.4923       138.2810 444.5333       256.3784 144.0896       164.2149 115.0990 39.06313 77.43034 30.38974 37.66862       49.49207 
1 1 1 -4  3   34 o 105.2212 34.18475 363.1107       196.8552 776.8438       269.0948 -113.2098      288.7319 152.0527 37.30317 69.39436 32.83511 82.65838       49.69579 
1 1 1 -4  3   35 o 76.35625 29.44945 164.7057       152.1091 304.3717       267.7968 98.18432       184.8165 93.04099 38.01160 71.03726 30.44834 22.00373       48.70301 
1 1 1 -4  3   36 o 96.11002 38.83432 398.9107       275.9213 867.8036       487.2153 177.5223       334.7815 112.1477 48.75483 80.58546 37.20241 31.56227       61.32742 
1 1 1 -4  4   1  o 188.0288 6.792689 847.9229       60.96215 0.000000       0.000000 847.9229       60.96215 ?        ?        188.0288 6.792689 0.000000       6.792689 
1 1 1 -4  4   2  o 113.7937 5.772673 310.7603       31.30276 346.3815       53.94660 292.6788       38.43493 119.7800 9.498152 110.2867 7.331062 9.493279       11.99831 
1 1 1 -4  4   3  o 223.1130 8.208697 1194.670       87.41107 1163.806       104.9560 1264.542       157.9185 219.9956 10.00514 228.6138 14.52357 -8.618179      17.63624 
1 1 1 -4  4   4  o 312.5883 8.961288 2344.386       133.7836 2395.378       266.7955 2327.258       154.6294 314.2750 17.82977 311.2432 10.40627 3.031769       20.64439 
1 1 1 -4  4   5  o 51.87738 11.81173 67.19492       28.63660 78.95490       40.89031 55.87537       40.11729 56.28039 14.94677 48.57776 15.39816 7.702629       21.45948 
1 1 1 -4  4   6  o 342.4637 9.352759 2812.767       152.9875 2846.553       310.4524 2801.930       175.8176 342.7690 19.01915 341.6193 10.77843 1.149689       21.86099 
1 1 1 -4  4   7  o 547.4560 9.884398 7182.764       258.7068 6402.521       667.1002 7320.881       280.6721 511.8278 27.36151 552.5844 10.62410 -40.75662      29.35172 
1 1 1 -4  4   8  o 397.7500 15.00306 3807.802       284.7863 3973.675       402.5920 3641.671       402.9054 405.0589 20.85950 387.4784 21.83778 17.58057       30.19946 
1 1 1 -4  4   9  o 282.0523 9.514745 1907.847       128.1188 1929.782       155.0909 1860.714       227.3463 283.4646 11.46771 277.5176 17.22003 5.947052       20.68907 
1 1 1 -4  4   10 o 542.3474 10.32967 7048.762       267.8382 7073.181       290.3049 6909.067       694.3593 543.1706 11.17918 532.3158 27.37586 10.85480       29.57045 
1 1 1 -4  4   11 o 470.4667 10.74368 5305.623       241.6520 5939.717       570.3859 5166.911       266.7773 494.4485 24.20254 463.9583 12.03728 30.49020       27.03071 
1 1 1 -4  4   12 o 310.9333 10.13328 2319.428       150.4337 2355.180       181.3771 2240.626       269.2766 313.0788 12.14072 304.2947 18.59839 8.784119       22.21029 
1 1 1 -4  4   13 o 484.4858 8.489906 5621.546       196.6493 5665.934       276.6185 5576.192       279.6138 485.9545 11.90631 481.9037 12.14608 4.050873       17.00846 
1 1 1 -4  4   14 o 854.8336 9.216852 17509.18       376.6800 18235.23       532.4479 16781.72       532.9645 871.4308 12.78015 835.8109 13.33773 35.61987       18.47234 
1 1 1 -4  4   15 o 667.6531 23.28752 10841.46       742.1934 11424.72       1049.744 10258.47       1049.496 680.0149 32.38219 643.0506 34.26081 36.96429       47.14244 
1 1 1 -4  4   16 o 627.5574 22.30453 9582.577       668.1344 9899.473       945.0476 9265.899       944.7219 632.4957 31.35042 611.1343 32.45029 21.36139       45.12062 
1 1 1 -4  4   17 o 295.5832 14.64573 2110.969       206.3215 2028.025       290.3620 2195.556       293.2242 288.0146 21.23646 299.9334 20.57334 -11.91882      29.56771 
1 1 1 -4  4   18 o 84.72573 28.79800 166.9438       139.3443 213.6113       162.6831 38.39531       270.0032 94.15823 31.10469 87.71609 37.17260 6.442146       48.46962 
1 1 1 -4  4   19 o 69.77341 27.61526 71.50581       136.6150 67.60016       161.6050 81.28691       255.7416 73.56164 29.72129 89.00288 36.83516 -15.44125      47.33058 
1 1 1 -4  4   20 f 368.8468 12.62711 3286.460       222.3400 3414.388       275.4447 3047.225       376.6730 375.0196 15.39560 351.1475 22.55639 23.87216       27.30962 
1 1 1 -4  4   21 o 41.55645 20.11357 -193.1613      122.6019 -541.3609      280.9469 -111.2541      136.2609 58.32590 28.69845 50.46047 23.44730 7.865425       37.05910 
1 1 1 -4  4   22 o 44.85870 20.74786 -80.37011      104.8407 -356.7293      171.2960 85.16102       132.5715 44.91423 22.15861 70.40073 27.39956 -25.48651      35.23833 
1 1 1 -4  4   23 o 122.9763 26.25655 393.6975       149.6743 299.5324       192.1955 538.8148       238.5929 106.9619 33.67760 140.7864 35.46944 -33.82452      48.91076 
1 1 1 -4  4   24 o 151.0939 22.75625 580.4912       159.2861 348.5935       205.3832 930.4999       252.3226 113.9289 34.63804 189.0517 28.82757 -75.12277      45.06465 
1 1 1 -4  4   25 o 161.7046 18.23621 651.4434       138.5265 364.9846       216.7794 849.1514       180.0940 115.8390 35.65683 183.8049 20.86297 -67.96585      41.31190 
1 1 1 -4  4   26 o 334.1037 15.52244 2739.183       247.2641 2912.077       362.8864 2589.344       337.8256 339.7833 22.46488 320.5408 22.18133 19.24252       31.57028 
1 1 1 -4  4   27 f 67.25102 28.60726 27.50221       160.9391 62.20020       205.4861 -27.55627      258.8465 77.54113 32.62181 77.71907 34.58817 -0.1779404     47.54497 
1 1 1 -4  4   28 o 320.9277 15.87477 2538.002       242.8135 2616.084       360.0092 2472.841       328.8788 320.0703 23.69466 312.3896 22.16463 7.680725       32.44546 
1 1 1 -4  4   29 o 225.5636 19.03613 1280.458       203.3700 772.9351       388.4175 1472.139       238.7049 154.7612 47.74532 240.7139 20.95055 -85.95264      52.13964 
1 1 1 -4  4   30 o 124.4926 28.79964 430.0271       168.0025 701.9249       391.1071 368.5049       186.0410 143.6504 48.24805 113.3586 32.59283 30.29173       58.22514 
1 1 1 -4  4   31 o 80.90881 29.02940 167.1331       142.7260 195.9530       244.7009 152.2732       175.7102 91.39777 36.69720 81.39341 31.58137 10.00436       48.41557 
1 1 1 -4  4   32 o 121.1353 32.25204 435.8984       190.0866 511.8568       258.7032 346.7721       280.2316 125.9287 38.98556 106.0420 40.19940 19.88666       55.99880 
1 1 1 -4  4   33 o 47.03362 23.07278 -279.4958      177.2860 -353.5748      250.4885 -205.1420      250.9527 55.71835 27.35193 61.64860 29.56723 -5.930256      40.27840 
1 1 1 -4  4   34 o 56.43446 26.96286 -157.8709      204.3746 -328.7356      333.2054 -54.82208      258.7661 65.03639 31.84761 68.59696 32.02073 -3.560570      45.16190 
1 1 1 -4  4   35 o 121.7570 39.37309 587.5062       261.3223 1271.791       577.5913 411.3832       293.0288 132.0790 55.06796 99.61826 40.10208 32.46077       68.12237 
1 1 1 -4  4   36 o 140.1022 47.47801 1051.445       378.7210 1051.445       378.7210 0.000000       0.000000 140.1022 47.47801 ?        ?        0.000000       47.47801 
1 1 1 -4  5   1  o 76.30647 7.631675 140.8058       27.46816 0.000000       0.000000 140.8058       27.46816 ?        ?        76.30647 7.631675 0.000000       7.631675 
1 1 1 -4  5   2  o 215.8634 6.879837 1116.475       70.91049 0.000000       0.000000 1116.475       70.91049 ?        ?        215.8634 6.879837 0.000000       6.879837 
1 1 1 -4  5   3  o 69.60963 9.508546 118.2492       30.81771 103.1583       39.27004 142.4427       49.72244 64.37781 13.20246 75.76947 14.24907 -11.39166      19.42527 
1 1 1 -4  5   4  o 341.0017 8.986642 2787.320       146.3806 2710.001       165.6707 3062.544       312.5714 336.0871 10.32288 355.9260 18.43160 -19.83893      21.12547 
1 1 1 -4  5   5  o 114.8541 8.747149 317.7459       47.66970 265.4231       63.65965 384.5371       71.92475 104.3557 13.04376 126.0354 12.08438 -21.67978      17.78122 
1 1 1 -4  5   6  o 465.8232 7.516310 5193.945       167.3918 5086.610       232.5154 5309.425       241.1776 460.6876 10.55691 470.6505 10.71840 -9.962952      15.04435 
1 1 1 -4  5   7  o 227.0372 7.950207 1235.492       86.16147 1184.344       115.3887 1299.951       129.5361 222.0148 10.90445 232.5378 11.68918 -10.52301      15.98574 
1 1 1 -4  5   8  o 578.4677 7.964079 8010.860       220.2536 8077.975       306.9895 7939.665       316.1852 580.4871 11.06172 575.4309 11.49317 5.056213       15.95164 
1 1 1 -4  5   9  o 422.6883 9.699040 4280.480       196.0006 4325.553       218.6799 4096.368       441.9720 424.6605 10.77978 410.8712 22.58680 13.78937       25.02733 
1 1 1 -4  5   10 o 256.8351 11.63583 1585.311       142.5052 1626.925       199.8322 1542.249       203.2774 259.5513 16.18455 252.5566 16.93320 6.994690       23.42376 
1 1 1 -4  5   11 o 416.9862 15.68914 4188.428       312.2151 4406.152       441.2808 3970.194       441.7975 426.2281 21.72700 404.1939 22.95696 22.03418       31.60830 
1 1 1 -4  5   12 o 312.5424 10.52478 2344.615       157.0401 2374.401       191.5418 2283.537       274.2845 314.2216 12.77691 307.0712 18.77302 7.150421       22.70850 
1 1 1 -4  5   13 o 329.3557 11.22770 2605.344       176.5342 3029.391       318.1682 2416.736       212.1924 353.7088 18.88336 316.7665 14.04635 36.94235       23.53469 
1 1 1 -4  5   14 o 227.8308 11.80831 1249.417       128.1811 1309.880       179.1993 1186.069       183.4255 232.5982 16.21624 221.0398 17.49994 11.55841       23.85821 
1 1 1 -4  5   15 o 420.7022 16.43720 4276.283       329.9700 4326.132       466.6018 4226.415       466.6944 420.9210 23.27726 415.9184 23.56659 5.002594       33.12423 
1 1 1 -4  5   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  5   17 o 152.7339 20.14709 577.0197       143.5305 560.7659       171.6886 614.7444       261.5641 149.2433 24.94190 153.0392 36.30119 -3.795898      44.04401 
1 1 1 -4  5   18 o 357.3036 14.24749 3088.157       242.8916 3080.057       316.9097 3099.690       378.1483 355.3213 18.72152 354.9251 22.39948 0.3961792      29.19301 
1 1 1 -4  5   19 o 354.4637 15.60211 3051.691       263.7534 3049.552       369.6266 3053.910       376.4750 351.5674 22.10292 351.6153 22.51375 -0.4788208E-01 31.55009 
1 1 1 -4  5   20 o 175.0149 19.99646 760.4095       164.3162 828.7149       273.5855 721.8670       205.5116 177.3808 33.48827 168.1979 26.42735 9.182877       42.65993 
1 1 1 -4  5   21 o 187.4889 19.05420 870.6507       168.4248 726.7750       200.5375 1215.112       310.2930 168.7208 25.66917 216.3476 30.87410 -47.62680      40.15117 
1 1 1 -4  5   22 o 292.6926 15.44759 2091.370       215.3974 2199.697       296.0011 1969.442       314.0340 297.6511 20.93419 280.1194 23.67038 17.53168       31.59947 
1 1 1 -4  5   23 o 113.2188 27.01716 336.9582       144.1970 405.3320       280.9065 312.4953       168.0239 122.4329 40.88620 108.4526 30.90833 13.98030       51.25432 
1 1 1 -4  5   24 o 213.7363 17.63568 1129.472       178.6078 1432.282       308.0640 976.1473       219.2108 235.3796 27.91872 195.8922 23.90079 39.48741       36.75190 
1 1 1 -4  5   25 o 284.1377 14.84170 1977.119       200.9151 2292.169       292.7297 1696.526       276.2588 302.9032 20.33186 259.1259 22.52311 43.77737       30.34263 
1 1 1 -4  5   26 o 58.43722 26.10294 -40.24382      148.8413 -214.6349      182.1227 310.4999       258.2836 53.21238 25.43143 108.5844 39.03992 -55.37202      46.59262 
1 1 1 -4  5   27 o 190.0450 20.29563 912.0591       181.5519 952.8469       232.1645 847.8541       291.2833 191.1140 26.08991 173.6396 36.26004 17.47437       44.67073 
1 1 1 -4  5   28 o 189.2256 18.91406 900.6960       168.8186 1126.258       236.5144 666.4174       241.0410 208.7066 24.14855 154.4612 33.59926 54.24541       41.37708 
1 1 1 -4  5   29 f 231.6242 18.36654 1352.335       201.7214 1793.656       300.2065 989.0508       272.3742 262.1472 24.22736 188.9743 31.23822 73.17288       39.53216 
1 1 1 -4  5   30 o 118.2255 35.38081 416.2709       215.5049 401.5756       265.2324 444.8199       369.6848 114.6828 39.70642 118.6105 45.86685 -3.927719      60.66603 
1 1 1 -4  5   31 o 99.36821 32.69095 285.6586       179.7636 331.2316       287.7616 256.4916       230.2100 105.6792 40.57132 96.35153 36.45598 9.327675       54.54420 
1 1 1 -4  5   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  5   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  5   34 o 56.27822 27.26863 -218.1842      226.9115 -320.4937      521.9797 -194.3452      251.9647 77.57478 38.34753 60.44774 29.15301 17.12704       48.17085 
1 1 1 -4  5   35 f 65.31315 29.66129 36.95499       201.4802 -363.7647      320.9508 297.5795       258.8367 59.71568 29.61672 88.16832 36.81990 -28.45264      47.25309 
1 1 1 -4  6   1  f 345.7224 7.145834 2860.496       118.1106 0.000000       0.000000 2860.496       118.1106 ?        ?        345.7224 7.145834 0.000000       7.145834 
1 1 1 -4  6   2  o 471.2914 7.398876 5316.216       166.7108 0.000000       0.000000 5316.216       166.7108 ?        ?        471.2914 7.398876 0.000000       7.398876 
1 1 1 -4  6   3  o 67.30301 7.207755 109.6467       22.83148 101.7283       40.10919 113.4424       27.76958 63.90263 13.54944 68.28079 8.704343 -4.378162      16.10444 
1 1 1 -4  6   4  o 121.4013 8.866889 354.8188       51.10906 342.6368       70.08737 368.6534       74.69025 118.8584 12.52185 123.2898 12.86038 -4.431381      17.94954 
1 1 1 -4  6   5  o 124.0862 9.341740 370.8895       55.01217 379.3913       74.18725 360.5039       81.99535 125.1280 12.57143 121.6801 14.37190 3.447914       19.09431 
1 1 1 -4  6   6  o 256.1071 7.718900 1571.542       94.40379 1677.187       128.6693 1448.368       138.9352 264.3608 10.19964 245.4567 11.87461 18.90413       15.65372 
1 1 1 -4  6   7  o 437.0643 16.20664 4601.598       338.0600 4742.332       476.7799 4459.307       479.4091 442.1135 22.63202 428.4367 23.49508 13.67676       32.62249 
1 1 1 -4  6   8  o 149.8623 9.506200 540.2196       67.75847 539.8871       88.81777 540.6826       104.8042 149.4719 12.54450 149.2554 14.88553 0.2165222      19.46647 
1 1 1 -4  6   9  o 491.0267 9.853659 5777.917       231.3188 5910.002       253.4660 5119.638       565.8448 496.4997 10.67806 458.1449 25.93965 38.35486       28.05149 
1 1 1 -4  6   10 o 228.4196 11.30021 1254.509       123.0206 1319.145       170.6176 1184.520       177.5439 233.6832 15.35683 221.1273 16.92260 12.55591       22.85184 
1 1 1 -4  6   11 o 272.9406 12.31465 1791.983       160.2796 1985.865       224.3182 1589.753       229.0966 286.6802 16.43547 255.9352 18.85558 30.74500       25.01315 
1 1 1 -4  6   12 o 475.8869 17.50938 5470.376       397.6874 5731.756       561.0465 5206.431       563.7933 484.8413 24.28149 461.5042 25.65359 23.33710       35.32277 
1 1 1 -4  6   13 o 373.3156 14.66798 3359.672       261.2815 3393.676       367.4061 3324.878       371.6462 373.6731 20.64607 369.7156 21.11363 3.957458       29.53042 
1 1 1 -4  6   14 o 512.5402 11.21160 6308.265       274.7286 5909.336       615.0991 6407.678       307.0577 490.4173 26.33093 516.2922 12.43988 -25.87497      29.12161 
1 1 1 -4  6   15 o 395.9300 12.46915 3775.037       235.7338 4067.471       287.4387 3174.285       411.9824 410.4200 14.67262 359.3552 24.11952 51.06473       28.23185 
1 1 1 -4  6   16 o 174.5898 21.74088 755.3024       177.5490 748.8157       230.7342 764.7193       278.0060 171.5118 29.18330 171.2673 35.13195 0.2444763      45.67186 
1 1 1 -4  6   17 o 153.2835 19.95092 582.3138       142.7405 663.2335       236.3503 535.8534       179.0899 159.8375 32.04586 144.9372 26.83337 14.90028       41.79673 
1 1 1 -4  6   18 o 355.6090 13.27298 3058.631       225.2614 3582.710       293.8722 2312.012       350.7595 383.8943 16.04712 304.8494 24.26679 79.04489       29.09274 
1 1 1 -4  6   19 o 131.9975 19.62832 435.6888       120.1034 427.4384       161.5934 445.8714       179.5214 128.4130 27.17028 130.4971 29.47320 -2.084045      40.08608 
1 1 1 -4  6   20 o 223.6460 15.08346 1220.857       160.3330 1400.656       221.1666 1021.700       232.7681 237.9812 19.61269 200.9608 24.74946 37.02046       31.57837 
1 1 1 -4  6   21 o 423.5506 17.01336 4392.078       343.8105 4021.181       479.0158 4786.163       493.7622 399.6521 25.19857 437.3844 23.70128 -37.73233      34.59362 
1 1 1 -4  6   22 o 204.6414 22.24915 1052.943       214.1785 1180.519       358.7144 982.2669       266.9930 208.2266 37.40820 193.9478 29.74168 14.27882       47.79060 
1 1 1 -4  6   23 o 440.7741 18.32569 4792.090       385.3332 4997.030       539.8691 4579.260       550.1636 443.7383 25.55608 422.9535 27.35435 20.78482       37.43492 
1 1 1 -4  6   24 o 333.4408 16.98174 2739.645       269.8216 2942.019       377.2450 2527.682       386.0791 341.1752 23.26722 314.0784 25.94281 27.09683       34.84814 
1 1 1 -4  6   25 o 250.4776 21.48336 1583.726       254.7820 1997.241       407.0788 1317.425       326.6769 273.4115 31.73112 221.5714 31.74447 51.84003       44.88402 
1 1 1 -4  6   26 o 98.07347 35.32201 244.2341       211.5378 363.9968       239.2514 -184.7397      452.8029 114.1916 37.72082 91.33591 42.54262 22.85573       56.85714 
1 1 1 -4  6   27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  6   28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  6   29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  6   30 o 66.56896 28.87173 24.93332       170.0258 -15.56341      276.6389 49.51758       215.5420 77.41205 34.99580 74.93681 32.50412 2.475243       47.76216 
1 1 1 -4  6   31 o 93.57571 36.01612 244.1340       227.1723 255.4909       294.9722 227.5782       356.1448 97.21573 39.82590 97.70313 42.07804 -0.4874039     57.93673 
1 1 1 -4  6   32 o 115.3419 31.62331 412.7861       179.5622 373.4841       301.4194 434.4066       223.5611 103.5204 41.00407 113.9325 36.37697 -10.41204      54.81439 
1 1 1 -4  6   33 o 81.66392 31.69932 194.1675       177.0807 529.3550       311.2125 33.68856       215.3387 114.0518 42.54866 69.27045 31.13409 44.78134       52.72305 
1 1 1 -4  6   34 o 111.9758 38.19699 493.4639       245.1769 376.7670       328.8813 639.4509       367.8464 95.18457 40.70383 112.9214 45.11071 -17.73684      60.76000 
1 1 1 -4  6   35 o 179.3810 25.63894 986.8505       213.6322 1033.715       361.5279 961.7065       264.8113 141.2015 46.35563 161.9270 35.21204 -20.72546      58.21281 
1 1 1 -4  7   1  o 271.5152 7.119071 1765.584       92.33173 0.000000       0.000000 1765.584       92.33173 ?        ?        271.5152 7.119071 0.000000       7.119071 
1 1 1 -4  7   2  o 161.1875 7.880478 623.4779       60.54441 0.000000       0.000000 623.4779       60.54441 ?        ?        161.1875 7.880478 0.000000       7.880478 
1 1 1 -4  7   3  f 404.0678 9.042829 3910.669       174.6895 0.000000       0.000000 3910.669       174.6895 ?        ?        404.0678 9.042829 0.000000       9.042829 
1 1 1 -4  7   4  o 234.4865 6.344018 1316.628       71.05449 1300.151       113.7144 1327.182       91.00861 232.6899 10.24698 235.2978 8.102233 -2.607834      13.06319 
1 1 1 -4  7   5  o 254.9381 11.04841 1561.305       134.3416 1445.008       188.0222 1682.596       192.0163 244.5363 16.17351 264.0998 15.27278 -19.56348      22.24501 
1 1 1 -4  7   6  o 471.4150 16.85003 5357.828       379.1520 5112.177       534.4003 5606.819       538.0218 458.3044 24.47838 480.3526 23.49910 -22.04825      33.93227 
1 1 1 -4  7   7  o 218.5492 8.428595 1145.605       87.90182 1129.051       115.9324 1167.993       134.8181 216.6793 11.22958 220.1924 12.86271 -3.513184      17.07492 
1 1 1 -4  7   8  o 75.33508 13.63101 140.5134       47.28775 137.0631       53.30696 153.2555       102.4413 74.10903 15.54257 79.44548 24.52171 -5.336449      29.03249 
1 1 1 -4  7   9  o 426.4986 15.60145 4384.374       317.5840 4119.084       446.2709 4656.575       452.0479 411.4510 22.77560 437.9055 21.65935 -26.45453      31.43017 
1 1 1 -4  7   10 o 509.3524 8.216533 6214.437       200.0853 5924.680       270.2605 6565.887       297.6442 496.8714 11.37707 522.9713 11.90450 -26.09988      16.46678 
1 1 1 -4  7   11 o 490.5568 17.62213 5817.681       412.6196 5552.272       580.4359 6088.830       586.6786 476.2711 25.58519 499.2228 24.65718 -22.95166      35.53278 
1 1 1 -4  7   12 o 133.7161 11.88352 432.8994       75.17868 467.3422       98.67178 385.2373       116.0726 138.4507 15.15424 124.5256 20.18738 13.92512       25.24245 
1 1 1 -4  7   13 o 126.9298 12.29387 391.0131       73.67082 348.2435       97.69301 447.4020       112.1742 118.6967 17.76044 134.8277 17.83960 -16.13099      25.17309 
1 1 1 -4  7   14 o 345.5210 13.36996 2880.799       220.4410 3012.866       323.1609 2765.866       301.4696 351.6029 19.29864 337.0106 18.78510 14.59225       26.93172 
1 1 1 -4  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  7   16 o 404.5685 14.94286 3966.127       288.5275 3932.981       444.3062 3990.298       379.4134 398.9975 23.39449 403.7952 19.71322 -4.797699      30.59270 
1 1 1 -4  7   17 o 356.5186 14.58303 3083.431       248.0394 3184.772       317.7647 2925.389       396.8242 360.7545 18.48570 342.7908 24.37264 17.96368       30.58998 
1 1 1 -4  7   18 o 296.4040 16.91974 2148.178       238.7692 2064.722       295.9085 2303.913       404.2240 288.5478 21.60711 301.0521 28.42124 -12.50424      35.70201 
1 1 1 -4  7   19 o 260.8708 17.59607 1671.633       218.1731 1854.681       267.6551 1309.191       376.6274 273.5036 20.62124 220.8433 36.97744 52.66026       42.33871 
1 1 1 -4  7   20 o 391.8249 24.51805 3858.053       456.9874 0.000000       0.000000 3858.053       456.9874 ?        ?        391.8249 24.51805 0.000000       24.51805 
1 1 1 -4  7   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  7   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  7   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  7   24 o 176.0189 21.06671 785.3954       173.7651 914.3093       236.7887 634.9598       255.7918 186.6893 27.33992 150.1814 36.07808 36.50797       45.26698 
1 1 1 -4  7   25 o 161.1360 27.99747 690.5257       207.8619 1151.638       375.0194 486.0461       249.7328 199.1403 40.76395 129.9915 37.87822 69.14883       55.64583 
1 1 1 -4  7   26 o 314.9029 17.08450 2459.375       256.2464 2984.618       365.2194 1950.115       359.6197 342.6225 22.41929 272.1058 28.04502 70.51675       35.90470 
1 1 1 -4  7   27 o 228.8904 22.65513 1348.338       244.6661 1496.361       298.5522 1045.628       426.9418 238.0588 26.69084 178.9958 48.63469 59.06296       55.47733 
1 1 1 -4  7   28 o 118.6048 36.38285 419.5808       225.9372 198.8423       262.1349 1057.387       445.5845 93.61247 37.84218 173.4415 50.61226 -79.82903      63.19519 
1 1 1 -4  7   29 o 87.94595 35.36584 176.7768       227.6408 -389.4661      441.7856 381.4650       265.6174 78.48760 38.03430 111.3007 39.63938 -32.81306      54.93531 
1 1 1 -4  7   30 o 95.34504 36.39935 254.8084       230.7611 706.2155       455.4517 98.90708       267.6598 133.6813 51.11173 83.43697 36.20602 50.24432       62.63613 
1 1 1 -4  7   31 o 56.66352 27.37768 -237.7411      224.6873 -306.6919      478.0827 -218.1940      254.5514 79.66429 38.82311 61.67310 29.63101 17.99119       48.83883 
1 1 1 -4  7   32 o 128.7223 39.46672 607.5027       265.9040 582.0257       353.9516 640.5085       402.8698 116.3802 44.91343 117.7145 47.14723 -1.334259      65.11588 
1 1 1 -4  7   33 o 201.8593 21.79435 1131.493       206.9994 987.8634       331.1413 1223.616       265.2011 157.7149 42.82344 200.8818 28.40542 -43.16685      51.38789 
1 1 1 -4  7   34 f 60.45718 27.62769 10.03544       178.2899 570.2390       309.0701 -269.3522      218.2668 107.7031 41.85866 51.19894 25.21189 56.50414       48.86499 
1 1 1 -4  8   1  o 469.1527 7.516179 5269.354       168.5853 0.000000       0.000000 5269.354       168.5853 ?        ?        469.1527 7.516179 0.000000       7.516179 
1 1 1 -4  8   2  o 426.7144 15.73787 4387.374       320.5140 0.000000       0.000000 4387.374       320.5140 ?        ?        426.7144 15.73787 0.000000       15.73787 
1 1 1 -4  8   3  o 465.1336 9.473616 5184.344       210.6696 0.000000       0.000000 5184.344       210.6696 ?        ?        465.1336 9.473616 0.000000       9.473616 
1 1 1 -4  8   4  o 583.8514 10.04677 8171.455       280.4383 0.000000       0.000000 8171.455       280.4383 ?        ?        583.8514 10.04677 0.000000       10.04677 
1 1 1 -4  8   5  o 244.4724 7.547477 1432.366       88.10884 1282.700       186.5743 1475.324       99.95702 230.0731 17.08393 248.0358 8.441584 -17.96266      19.05574 
1 1 1 -4  8   6  o 483.6941 10.15511 5609.640       234.8354 5629.585       257.7212 5512.062       570.0376 484.4061 11.12838 475.1554 25.18333 9.250702       27.53255 
1 1 1 -4  8   7  o 505.3900 11.48401 6130.288       277.4780 5988.128       605.5762 6168.066       312.1776 494.9073 25.68176 506.5165 12.90189 -11.60925      28.74042 
1 1 1 -4  8   8  o 453.1744 9.096752 4922.259       197.0880 5061.029       267.3242 4757.006       291.7199 458.8726 12.19616 444.5375 13.74267 14.33508       18.37409 
1 1 1 -4  8   9  o 453.3438 10.91030 4933.062       236.4681 4961.506       266.0562 4826.090       515.9514 454.2416 12.26240 444.1526 24.39151 10.08902       27.30041 
1 1 1 -4  8   10 o 119.6003 16.66571 351.9246       92.70911 329.2242       102.2021 457.3726       220.2735 115.0676 19.25794 132.9337 34.39824 -17.86619      39.42217 
1 1 1 -4  8   11 o 321.5475 20.74944 2525.357       317.2745 0.000000       0.000000 2525.357       317.2745 ?        ?        321.5475 20.74944 0.000000       20.74944 
1 1 1 -4  8   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  8   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  8   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  8   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  8   17 o 411.4027 14.97683 4117.029       294.0830 4263.916       475.4836 4026.030       374.2511 413.0301 24.18521 404.4600 19.41103 8.570099       31.01150 
1 1 1 -4  8   18 o 284.5839 16.89718 1985.193       228.8619 2202.412       329.6039 1782.967       318.0257 296.4892 23.44346 265.5553 25.35703 30.93390       34.53368 
1 1 1 -4  8   19 o 296.1171 16.39883 2148.019       231.2519 2099.863       319.1729 2201.234       335.5181 289.2657 23.27553 295.8099 23.92847 -6.544128      33.38147 
1 1 1 -4  8   20 o 162.2845 23.84408 672.3760       179.4853 691.1659       202.1906 602.5271       389.8331 163.2592 26.83610 143.9480 48.16714 19.31114       55.13845 
1 1 1 -4  8   21 o 65.79879 26.55777 59.66464       128.8877 9.996182       175.3550 118.0274       190.0841 68.48562 29.51061 82.00212 32.53617 -13.51650      43.92583 
1 1 1 -4  8   22 o 335.7839 15.95760 2770.510       255.4414 2702.274       357.1563 2841.964       365.4851 326.8921 22.99992 335.3179 22.93653 -8.425842      32.48200 
1 1 1 -4  8   23 o 102.9846 27.72226 284.4145       139.4935 145.5336       192.3905 438.3479       202.5484 84.69874 32.99512 125.7048 33.21124 -41.00601      46.81521 
1 1 1 -4  8   24 o 184.1556 18.89494 851.8797       163.9993 1069.784       229.5364 624.6429       234.4003 203.7113 24.03020 149.8168 33.56050 53.89442       41.27660 
1 1 1 -4  8   25 o 143.6139 24.59107 540.3916       162.7739 616.1346       218.9068 446.7228       243.4363 149.6499 31.59017 124.4611 37.68378 25.18883       49.17323 
1 1 1 -4  8   26 o 229.1494 18.16682 1317.762       197.3967 1241.571       271.1857 1403.625       287.8843 216.5818 26.75855 230.5355 26.60756 -13.95370      37.73569 
1 1 1 -4  8   27 o 166.8100 22.87016 729.5510       177.5927 657.7379       244.3802 809.9172       258.5242 149.9756 34.76246 168.1563 33.33553 -18.18079      48.16312 
1 1 1 -4  8   28 o 80.57581 30.75208 154.9851       164.6808 107.2265       227.9348 207.1383       238.1913 81.35329 34.29900 91.72430 36.41247 -10.37100      50.02288 
1 1 1 -4  8   29 o 292.6021 22.71290 2257.903       315.2437 2331.041       430.7292 2173.534       462.6210 284.4944 32.23553 267.6309 37.15694 16.86353       49.19113 
1 1 1 -4  8   30 o 107.0716 35.76141 369.1684       214.8994 351.3763       241.7595 436.1564       469.1032 103.8430 37.71143 109.5152 47.72214 -5.672211      60.82396 
1 1 1 -4  8   31 o 75.54278 30.95242 137.2355       178.2094 69.94868       236.7999 225.1188       270.6260 74.33719 33.08279 88.25456 37.29938 -13.91737      49.85695 
1 1 1 -4  8   32 o 79.25645 31.84476 180.1349       184.4037 -30.44777      251.0361 426.9364       271.7683 67.89167 31.64072 104.3202 39.57824 -36.42851      50.67122 
1 1 1 -4  8   33 o 74.40248 31.19991 159.1397       187.0156 120.8135       258.2842 201.3775       271.1441 74.55016 33.74743 80.33781 35.59637 -5.787659      49.05090 
1 1 1 -4  8   34 o 65.17883 30.27869 38.16299       227.0026 -318.6349      268.7214 927.1841       424.1771 54.24870 26.93869 114.4421 47.40819 -60.19341      54.52733 
1 1 1 -4  9   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9   6  o 574.8997 20.22327 8030.682       554.9767 7826.674       782.0035 8237.693       787.7392 562.6504 29.17072 577.6286 28.61405 -14.97821      40.86190 
1 1 1 -4  9   7  o 475.4247 10.39539 5426.184       236.2822 5429.746       260.7087 5409.805       559.0907 475.3605 11.47160 469.3343 25.00704 6.026215       27.51271 
1 1 1 -4  9   8  o 51.81040 20.69969 33.41762       77.46025 48.79376       104.2430 14.45988       115.7488 60.49804 24.06511 58.27674 24.49839 2.221298       34.34095 
1 1 1 -4  9   9  o 275.9862 12.32685 1836.769       162.2373 1684.766       219.0414 2021.496       241.4713 263.1138 17.51271 288.2863 17.60389 -25.17252      24.83127 
1 1 1 -4  9   10 o 433.1398 11.52407 4516.556       238.4275 4527.253       273.6748 4482.869       485.6797 433.1679 13.23060 426.5965 23.90924 6.571442       27.32582 
1 1 1 -4  9   11 o 326.9337 13.08174 2581.710       204.0591 2381.768       288.5600 2781.715       288.6063 312.0425 19.43911 337.8718 17.93095 -25.82932      26.44613 
1 1 1 -4  9   12 o 77.55593 28.95395 119.5722       144.1632 156.2822       160.3463 -35.24810      329.2919 84.86098 30.72717 89.73533 39.51702 -4.874344      50.05751 
1 1 1 -4  9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9   14 o 117.9064 20.19932 350.1374       109.7690 345.7821       115.5317 390.5572       351.9554 116.7980 21.48118 125.1695 45.49485 -8.371468      50.31126 
1 1 1 -4  9   15 o 292.6124 13.35502 2077.227       186.3370 2305.308       238.0032 1716.010       299.5172 307.2211 16.26196 261.4673 24.23634 45.75372       29.18649 
1 1 1 -4  9   16 o 325.3980 15.16196 2580.949       235.2247 2747.604       322.4794 2391.456       343.8656 333.2262 20.33892 309.0742 23.44604 24.15198       31.03851 
1 1 1 -4  9   17 o 66.02045 29.26538 -38.26390      183.4702 9.522256       233.6111 -115.1806      296.3826 78.23969 33.88829 78.87314 35.88029 -0.6334534     49.35394 
1 1 1 -4  9   18 o 254.5461 16.52297 1590.826       199.9908 1703.053       303.9153 1505.112       265.6004 259.2373 24.82441 244.5821 22.98345 14.65520       33.83031 
1 1 1 -4  9   19 o 198.9413 19.83982 988.3342       186.1862 1098.941       328.5504 936.0117       225.9731 201.2274 35.44556 191.0249 25.37000 10.20256       43.58927 
1 1 1 -4  9   20 o 250.8788 21.85578 1584.091       259.5293 1608.859       347.3728 1552.798       390.4523 247.5918 29.95444 239.3364 35.17159 8.255371       46.19858 
1 1 1 -4  9   21 o 82.76540 32.63618 129.2574       190.1673 201.2907       336.0129 95.31223       230.6629 103.3010 42.43325 84.06911 34.90469 19.23188       54.94468 
1 1 1 -4  9   22 o 50.38242 23.78083 -146.5682      149.7290 67.52059       199.5262 -422.5358      226.5333 77.07844 32.26785 52.30284 25.74173 24.77560       41.27773 
1 1 1 -4  9   23 o 270.8756 15.84837 1811.395       204.3438 1754.383       284.2020 1872.413       294.0196 262.1154 22.90914 270.8301 22.92266 -8.714661      32.40798 
1 1 1 -4  9   24 o 232.2959 19.01026 1355.052       209.2792 1109.948       336.5103 1509.643       267.2485 197.6048 36.97877 242.3921 23.35017 -44.78731      43.73397 
1 1 1 -4  9   25 o 77.07961 28.75760 135.4389       142.1691 156.6632       198.1267 112.9108       204.1223 85.25305 33.40411 81.12160 33.16938 4.131447       47.07486 
1 1 1 -4  9   26 o 290.7468 16.62396 2116.063       230.1144 2127.305       322.2197 2104.361       328.7401 284.8582 23.87959 282.5828 24.57740 2.275391       34.26782 
1 1 1 -4  9   27 o 94.72222 31.43072 253.9402       166.0583 485.3167       221.1424 -45.20236      251.4499 126.6543 35.23837 72.50534 33.00890 54.14899       48.28385 
1 1 1 -4  9   28 o 286.4453 19.57597 2114.135       266.4742 2539.636       405.3304 1790.242       353.6389 302.5541 28.35221 251.8232 29.96021 50.73085       41.24878 
1 1 1 -4  9   29 o 308.0504 17.98164 2444.520       263.6740 2884.138       364.6081 1962.552       381.7661 326.5447 23.51217 257.5493 31.67089 68.99533       39.44448 
1 1 1 -4  9   30 o 102.2042 32.30872 337.1261       176.7241 321.5842       239.2517 355.7881       262.1687 97.15609 37.06971 100.2291 38.66101 -3.073029      53.56153 
1 1 1 -4  9   31 o 106.5393 31.31452 371.4552       170.0418 404.7195       207.8573 304.1507       295.6637 107.0241 35.14983 92.52649 39.03966 14.49759       52.53195 
1 1 1 -4  9   32 o 129.7593 42.81898 761.1074       308.3202 714.9279       392.7233 835.2980       497.7792 112.4505 45.99714 110.2320 48.56301 2.218506       66.88873 
1 1 1 -4  9   33 o 88.38683 35.63697 333.6472       231.8052 238.8999       263.8121 654.5868       485.5375 79.56989 35.19100 94.59003 44.05673 -15.02013      56.38618 
1 1 1 -4  10  1  o 259.7744 11.63667 1625.690       144.1549 0.000000       0.000000 1625.690       144.1549 ?        ?        259.7744 11.63667 0.000000       11.63667 
1 1 1 -4  10  2  o 257.6044 8.427706 1592.873       103.6540 0.000000       0.000000 1592.873       103.6540 ?        ?        257.6044 8.427706 0.000000       8.427706 
1 1 1 -4  10  3  o 566.8534 10.08151 7715.584       273.2151 0.000000       0.000000 7715.584       273.2151 ?        ?        566.8534 10.08151 0.000000       10.08151 
1 1 1 -4  10  4  o 221.3378 11.04058 1180.446       116.4615 0.000000       0.000000 1180.446       116.4615 ?        ?        221.3378 11.04058 0.000000       11.04058 
1 1 1 -4  10  5  o 443.2098 11.07884 4722.753       234.7535 0.000000       0.000000 4722.753       234.7535 ?        ?        443.2098 11.07884 0.000000       11.07884 
1 1 1 -4  10  6  o 112.7082 12.29142 309.4420       65.15967 0.000000       0.000000 309.4420       65.15967 ?        ?        112.7082 12.29142 0.000000       12.29142 
1 1 1 -4  10  7  o 126.0000 9.161840 383.1185       54.81308 432.3258       94.69513 358.3239       67.21877 132.8715 15.17891 121.4556 11.72162 11.41585       19.17800 
1 1 1 -4  10  8  o 150.6630 13.97340 552.8620       99.50387 570.4536       132.1674 529.8450       151.1808 152.0115 18.57125 145.3557 22.47958 6.655792       29.15858 
1 1 1 -4  10  9  o 217.9710 12.57250 1149.702       130.4614 1072.482       153.8819 1347.062       246.0088 209.8419 15.44690 233.1020 22.34819 -23.26007      27.16704 
1 1 1 -4  10  10 o 68.41325 22.01827 112.8561       81.78574 192.9529       98.30946 -67.18018      147.3899 86.90405 23.21964 56.70972 25.59924 30.19434       34.56114 
1 1 1 -4  10  11 o 183.7181 23.03365 846.2173       197.8780 0.000000       0.000000 846.2173       197.8780 ?        ?        183.7181 23.03365 0.000000       23.03365 
1 1 1 -4  10  12 o 179.4802 19.60042 799.1616       165.4556 800.2135       194.7664 796.4344       313.6149 178.2476 23.42115 170.7220 39.24591 7.525635       45.70330 
1 1 1 -4  10  13 o 496.2104 12.09816 5949.495       287.0076 6003.480       374.9381 5873.093       446.0383 496.3385 15.82080 488.7693 19.12488 7.569122       24.82053 
1 1 1 -4  10  14 o 371.1470 16.60389 3369.204       293.8754 3362.916       398.0394 3376.738       435.7166 367.1615 22.78801 366.3564 25.02695 0.8051147      33.84733 
1 1 1 -4  10  15 f 97.01420 21.80128 242.1575       98.64704 285.6981       107.9100 20.70939       243.3610 105.4578 22.11074 80.54955 34.73750 24.90826       41.17741 
1 1 1 -4  10  16 o 173.1897 14.97641 735.7003       122.7873 732.8849       149.8931 741.4431       214.0807 171.7077 18.55357 169.0746 27.42309 2.633087       33.10983 
1 1 1 -4  10  17 o 259.0109 14.69537 1639.726       181.2265 1531.055       215.9200 1898.761       333.3613 248.7570 18.28326 272.7428 25.87494 -23.98575      31.68265 
1 1 1 -4  10  18 o 55.33207 23.30305 17.31167       105.0318 1.503860       129.8261 47.25890       178.6918 58.87494 25.38094 72.65804 30.48494 -13.78310      39.66766 
1 1 1 -4  10  19 o 145.3392 18.85453 531.0005       127.9261 419.1441       166.6041 691.6891       199.6861 125.1344 28.48941 162.6463 26.59853 -37.51198      38.97600 
1 1 1 -4  10  20 o 88.74255 28.54530 204.5775       137.4742 305.7093       153.4715 -206.0729      309.2574 106.3335 29.26847 74.32421 34.79562 32.00932       45.46843 
1 1 1 -4  10  21 o 75.89491 27.58765 132.1556       129.4212 77.84730       158.2427 241.8733       224.9203 72.18227 29.32064 98.38185 36.27032 -26.19958      46.63943 
1 1 1 -4  10  22 o 238.9447 17.44342 1421.001       197.8952 1374.651       265.6094 1478.836       296.6961 230.6989 24.45377 237.8242 26.54657 -7.125366      36.09304 
1 1 1 -4  10  23 o 204.0962 19.47036 1051.889       187.6844 1229.088       252.6341 833.6288       280.3808 217.3372 24.75433 171.4248 35.38448 45.91243       43.18377 
1 1 1 -4  10  24 o 137.1199 39.15976 571.2271       269.4361 569.3439       372.4210 573.2953       390.2869 132.0812 46.94780 132.0414 47.92048 0.3981018E-01  67.08553 
1 1 1 -4  10  25 o 113.6141 34.04327 379.9309       199.4250 297.0476       239.6407 566.6121       359.6477 102.2151 37.47979 129.6770 46.13129 -27.46187      59.43762 
1 1 1 -4  10  26 f 79.55357 33.69971 97.86620       221.7577 209.1931       280.1101 -89.07680      362.9805 93.91089 38.67704 81.92638 38.13636 11.98450       54.31662 
1 1 1 -4  10  27 o 95.94456 35.02721 267.4263       208.9571 150.9826       251.3088 528.2519       376.1188 85.95112 36.11299 121.1814 46.41883 -35.23033      58.81203 
1 1 1 -4  10  28 o 91.66908 38.56939 226.2109       287.2903 540.8387       396.9696 -119.8026      416.2989 116.3899 46.73753 81.25478 38.72716 35.13510       60.69753 
1 1 1 -4  10  29 o 105.6149 35.42261 382.5246       210.8191 383.8891       239.6001 377.8463       443.6455 103.8207 37.56528 99.95975 44.82701 3.860939       58.48598 
1 1 1 -4  10  30 o 67.09618 32.20306 -139.0969      298.8928 169.7825       396.4011 -546.1114      455.0356 86.17155 40.02435 67.96311 33.95618 18.20844       52.48781 
1 1 1 -4  10  31 o 113.0098 33.26848 457.5775       191.7974 458.5189       211.9496 453.3214       450.6712 109.6738 35.45853 93.84771 43.26724 15.82606       55.94069 
1 1 1 -4  10  32 o 103.0927 31.73287 393.6174       171.6933 734.9114       220.2313 -135.2547      274.1512 142.3708 33.00056 60.71655 29.54652 81.65430       44.29485 
1 1 1 -4  11  1  f 211.1128 9.195001 1072.436       92.58313 0.000000       0.000000 1072.436       92.58313 ?        ?        211.1128 9.195001 0.000000       9.195001 
1 1 1 -4  11  2  o 92.08148 14.44667 209.8371       61.50784 0.000000       0.000000 209.8371       61.50784 ?        ?        92.08148 14.44667 0.000000       14.44667 
1 1 1 -4  11  3  o 220.1556 9.126821 1166.149       95.85501 0.000000       0.000000 1166.149       95.85501 ?        ?        220.1556 9.126821 0.000000       9.126821 
1 1 1 -4  11  4  o 429.0382 8.058895 4417.052       165.3027 0.000000       0.000000 4417.052       165.3027 ?        ?        429.0382 8.058895 0.000000       8.058895 
1 1 1 -4  11  5  o 155.8139 10.75142 587.1450       79.59940 0.000000       0.000000 587.1450       79.59940 ?        ?        155.8139 10.75142 0.000000       10.75142 
1 1 1 -4  11  6  o 70.44675 16.90055 125.5019       56.19014 0.000000       0.000000 125.5019       56.19014 ?        ?        70.44675 16.90055 0.000000       16.90055 
1 1 1 -4  11  7  o 288.5849 13.04607 2016.948       179.5300 0.000000       0.000000 2016.948       179.5300 ?        ?        288.5849 13.04607 0.000000       13.04607 
1 1 1 -4  11  8  o 130.0510 11.38100 410.9032       70.05003 334.4165       143.6720 434.7563       80.23282 113.3714 26.91206 133.5407 12.72043 -20.16924      29.76690 
1 1 1 -4  11  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  11  10 o 548.2209 12.43683 7266.762       325.9671 7266.762       325.9671 0.000000       0.000000 548.2209 12.43683 ?        ?        0.000000       12.43683 
1 1 1 -4  11  11 o 233.1391 14.41141 1324.713       159.8460 1540.531       194.9473 881.9261       279.2352 250.8101 16.34695 182.3178 33.26075 68.49234       37.06076 
1 1 1 -4  11  12 o 456.1123 10.57964 5017.147       230.7019 5398.275       290.5281 4366.639       379.5587 471.9482 12.88820 421.0926 18.90172 50.85562       22.87752 
1 1 1 -4  11  13 o 130.6938 26.99866 446.3432       163.1111 515.1492       190.1189 254.4563       317.4937 139.6839 29.40071 108.6067 42.36409 31.07721       51.56664 
1 1 1 -4  11  14 o 76.01942 30.15022 95.67590       163.1654 182.5542       182.2265 -255.6482      366.4460 89.40218 32.69894 80.80048 37.84333 8.601700       50.01338 
1 1 1 -4  11  15 o 57.19108 25.22293 -25.12132      134.6229 66.50016       163.2369 -219.9464      238.0357 72.42198 29.64294 63.58853 30.00514 8.833450       42.17834 
1 1 1 -4  11  16 o 89.18510 29.36277 202.1602       145.0141 -38.62360      179.6040 653.1082       245.7908 64.83477 28.83533 154.4149 34.19671 -89.58016      44.73133 
1 1 1 -4  11  17 o 227.1813 18.33690 1283.715       197.4713 1475.788       243.9197 918.3895       336.3983 242.0887 21.29152 179.0205 40.28131 63.06815       45.56219 
1 1 1 -4  11  18 o 359.1047 12.40826 3138.261       212.7098 2867.779       251.5258 3817.409       398.5614 341.6006 15.44116 389.3607 21.49429 -47.76013      26.46571 
1 1 1 -4  11  19 o 181.1286 16.14581 813.5995       138.3513 760.8918       153.2815 1045.308       321.3832 174.0491 18.71453 193.1115 36.13821 -19.06241      40.69648 
1 1 1 -4  11  20 f 82.69395 23.95909 179.1396       100.1738 94.09015       117.6034 403.9827       191.2158 68.35482 26.01153 120.4665 32.47007 -52.11163      41.60415 
1 1 1 -4  11  21 f 73.98695 26.45754 128.7965       118.4513 339.8920       148.2844 -243.4050      196.8997 111.9060 27.83214 54.24709 26.06245 57.65892       38.12977 
1 1 1 -4  11  22 o 153.0535 22.88181 610.2711       162.3017 677.6212       180.0723 318.6751       374.6870 160.6733 24.19171 111.4144 45.16864 49.25892       51.23910 
1 1 1 -4  11  23 o 308.2446 16.48307 2375.011       242.0248 2278.333       321.0419 2502.293       368.3672 296.0229 22.86146 307.5982 25.27157 -11.57535      34.07783 
1 1 1 -4  11  24 o 57.40166 26.96970 -139.1445      188.6582 -77.28625      284.6537 -187.6008      251.9378 74.84789 34.46387 64.77736 30.65680 10.07053       46.12589 
1 1 1 -4  11  25 o 333.9170 17.20073 2820.096       273.6703 2970.474       365.6913 2628.667       412.5965 335.7218 22.92133 308.4216 28.29665 27.30020       36.41549 
1 1 1 -4  11  26 o 141.7818 26.53084 562.1438       173.2287 197.2151       244.0550 932.6718       245.9202 89.00503 36.31604 180.5775 29.50323 -91.57244      46.78990 
1 1 1 -4  11  27 f 116.4628 30.68330 415.8602       173.1987 355.8848       251.2707 470.1504       239.0648 102.4491 38.22973 117.0241 37.64281 -14.57500      53.65160 
1 1 1 -4  11  28 f 172.2352 24.02338 838.5522       192.4422 978.5560       279.4934 712.3455       265.3646 172.1623 35.14706 141.2283 38.33011 30.93394       52.00493 
1 1 1 -4  11  29 o 73.54573 30.54289 136.1009       176.6768 -7.881262      261.0672 257.7628       239.9802 69.51357 32.35295 87.58631 35.90627 -18.07274      48.33191 
1 1 1 -4  11  30 o 50.01686 23.72796 -92.82509      152.6713 -200.8253      186.7214 125.0054       265.1803 49.65013 24.21085 74.68013 33.95966 -25.03000      41.70641 
1 1 1 -4  11  31 o 51.12978 24.19840 -68.86697      156.9846 -83.35843      193.0417 -40.57042      269.7503 54.92806 26.23258 63.85479 30.63304 -8.926735      40.33028 
1 1 1 -4  12  1  o 503.1598 8.250237 6080.520       198.4635 0.000000       0.000000 6080.520       198.4635 ?        ?        503.1598 8.250237 0.000000       8.250237 
1 1 1 -4  12  2  o 69.44505 14.69466 121.3140       47.26332 0.000000       0.000000 121.3140       47.26332 ?        ?        69.44505 14.69466 0.000000       14.69466 
1 1 1 -4  12  3  o 260.6005 18.15916 1668.815       224.8297 0.000000       0.000000 1668.815       224.8297 ?        ?        260.6005 18.15916 0.000000       18.15916 
1 1 1 -4  12  4  o 454.5304 24.83837 5170.995       537.7009 0.000000       0.000000 5170.995       537.7009 ?        ?        454.5304 24.83837 0.000000       24.83837 
1 1 1 -4  12  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  12  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  12  7  o 393.7981 9.633143 3733.272       181.3635 0.000000       0.000000 3733.272       181.3635 ?        ?        393.7981 9.633143 0.000000       9.633143 
1 1 1 -4  12  8  o 176.7259 12.33687 758.9772       103.5804 0.000000       0.000000 758.9772       103.5804 ?        ?        176.7259 12.33687 0.000000       12.33687 
1 1 1 -4  12  9  o 119.4790 11.14206 347.5287       62.91137 382.8842       106.0278 328.3181       78.15600 123.6279 18.50728 115.3716 14.48820 8.256294       23.50377 
1 1 1 -4  12  10 o 166.6740 9.729774 671.5251       77.19451 570.5133       164.0652 700.2452       87.48303 149.4372 23.75854 169.9927 10.82045 -20.55553      26.10652 
1 1 1 -4  12  11 o 65.74030 24.89326 83.27417       107.3865 -78.74951      152.2474 243.6906       151.4904 56.30996 25.65484 96.72061 29.81390 -40.41065      39.33242 
1 1 1 -4  12  12 o 358.3748 11.91134 3112.625       203.7993 2932.552       240.6166 3569.725       383.3605 346.6768 14.54987 378.2702 21.28395 -31.59338      25.78188 
1 1 1 -4  12  13 o 265.8795 13.20126 1721.540       167.2816 1699.282       208.9693 1761.251       279.1180 262.6973 16.72554 264.5313 22.27682 -1.834045      27.85678 
1 1 1 -4  12  14 o 317.3628 14.51150 2463.008       219.5967 2313.756       289.9750 2663.698       336.2515 304.4975 20.03028 325.6097 21.72451 -21.11215      29.54939 
1 1 1 -4  12  15 o 86.46765 25.70206 195.1871       114.0247 179.1272       119.6347 354.4813       376.7775 83.57065 26.60273 118.1643 46.13344 -34.59364      53.25410 
1 1 1 -4  12  16 o 250.0847 16.86099 1548.522       200.4161 1432.886       226.2357 1970.155       431.9987 238.8594 19.99448 268.6266 34.42805 -29.76721      39.81294 
1 1 1 -4  12  17 o 82.89158 29.58063 165.8580       147.9887 341.7416       179.8353 -203.1004      260.4660 111.3251 32.05593 67.23619 31.62137 44.08887       45.02770 
1 1 1 -4  12  18 o 99.32971 30.97855 266.5085       163.0150 285.7294       186.9365 205.4943       333.0601 102.5796 33.31136 102.1817 42.13816 0.3978882      53.71472 
1 1 1 -4  12  19 o 75.10207 30.26446 94.34525       167.0835 -91.80444      322.6749 162.5417       195.3058 81.11642 37.10598 86.31323 33.34866 -5.196808      49.88975 
1 1 1 -4  12  20 o 336.7916 15.14795 2801.034       243.2824 2671.299       319.5418 2979.935       375.2366 324.4233 20.71004 340.2231 23.20819 -15.79984      31.10507 
1 1 1 -4  12  21 o 144.7523 22.23993 548.6788       148.9942 590.7780       202.6627 499.1596       219.7980 145.3548 30.15273 130.3633 34.66843 14.99155       45.94657 
1 1 1 -4  12  22 o 97.05299 29.24584 264.7711       146.8719 190.7516       205.0245 342.7973       210.5004 88.19229 34.14302 107.6720 35.37313 -19.47970      49.16304 
1 1 1 -4  12  23 o 80.24045 29.71943 162.2777       151.3161 83.19254       212.9888 242.8725       215.0121 77.22667 32.88224 93.96577 35.30222 -16.73910      48.24405 
1 1 1 -4  12  24 o 155.1008 31.73576 703.8140       227.3891 741.0549       264.0081 596.8047       447.5248 154.7993 36.30521 124.6933 49.77592 30.10603       61.60934 
1 1 1 -4  12  25 o 126.6596 27.66883 462.9179       162.8485 528.8464       187.4216 259.7866       328.9817 133.5742 30.07516 96.23080 40.91648 37.34341       50.78064 
1 1 1 -4  12  26 o 53.14802 24.61762 -65.03090      148.3959 -210.0344      176.4206 285.7560       274.3985 49.51606 24.00444 93.80165 38.41784 -44.28559      45.30060 
1 1 1 -4  12  27 o 114.9831 33.81231 449.1805       198.2107 481.0940       321.9400 429.6989       251.5366 106.8997 42.36595 106.4715 38.49438 0.4282379      57.24239 
1 1 1 -4  12  28 o 142.2965 26.15718 607.5307       171.3927 638.2921       225.6764 565.6075       263.4576 134.8083 34.78403 117.9094 39.59924 16.89884       52.70701 
1 1 1 -4  12  29 o 105.1290 34.84397 433.6091       204.0985 850.5870       351.9287 222.2927       250.5330 125.2214 45.49614 79.83884 34.83143 45.38252       57.29858 
1 1 1 -4  13  1  o 150.5949 11.00356 550.1415       78.67635 0.000000       0.000000 550.1415       78.67635 ?        ?        150.5949 11.00356 0.000000       11.00356 
1 1 1 -4  13  2  f 192.3811 10.27515 894.6456       94.16305 0.000000       0.000000 894.6456       94.16305 ?        ?        192.3811 10.27515 0.000000       10.27515 
1 1 1 -4  13  3  o 151.6300 10.49065 557.0687       75.58057 0.000000       0.000000 557.0687       75.58057 ?        ?        151.6300 10.49065 0.000000       10.49065 
1 1 1 -4  13  4  o 234.2886 9.584312 1324.214       107.1279 0.000000       0.000000 1324.214       107.1279 ?        ?        234.2886 9.584312 0.000000       9.584312 
1 1 1 -4  13  5  o 200.8133 9.501765 973.3685       90.96444 0.000000       0.000000 973.3685       90.96444 ?        ?        200.8133 9.501765 0.000000       9.501765 
1 1 1 -4  13  6  o 42.82536 17.16087 22.84427       53.40110 0.000000       0.000000 22.84427       53.40110 ?        ?        42.82536 17.16087 0.000000       17.16087 
1 1 1 -4  13  7  o 328.2611 13.60510 2621.667       213.0527 0.000000       0.000000 2621.667       213.0527 ?        ?        328.2611 13.60510 0.000000       13.60510 
1 1 1 -4  13  8  o 89.50045 17.48940 202.9996       72.15143 0.000000       0.000000 202.9996       72.15143 ?        ?        89.50045 17.48940 0.000000       17.48940 
1 1 1 -4  13  9  o 190.6773 11.06560 881.8846       100.4414 0.000000       0.000000 881.8846       100.4414 ?        ?        190.6773 11.06560 0.000000       11.06560 
1 1 1 -4  13  10 o 511.6544 7.657421 6293.585       187.3129 6748.879       297.3791 5994.146       241.1671 527.7969 11.78515 498.2801 10.12363 29.51678       15.53633 
1 1 1 -4  13  11 o 32.99116 15.08496 -34.22120      53.25311 217.3084       144.6795 -73.63876      57.27399 91.50301 29.26902 30.05047 14.33418 61.45253       32.59056 
1 1 1 -4  13  12 o 147.8832 17.90433 547.4858       124.0113 638.4162       168.5954 440.2928       183.0521 157.6762 23.04579 127.3175 30.47840 30.35868       38.21049 
1 1 1 -4  13  13 o 300.9088 12.43103 2204.797       178.4491 2185.755       218.6263 2242.808       308.8803 298.1595 15.38925 297.9152 21.83821 0.2442627      26.71585 
1 1 1 -4  13  14 o 211.4556 15.77583 1104.659       158.3356 1085.639       178.2854 1175.665       344.4729 208.5810 18.05622 204.9414 36.49553 3.639603       40.71794 
1 1 1 -4  13  15 o 341.0009 12.80800 2836.427       208.4359 2929.358       245.2317 2594.565       395.6228 345.3433 14.88808 316.0290 26.42633 29.31433       30.33159 
1 1 1 -4  13  16 o 359.5739 13.00887 3157.360       223.2646 3148.191       260.6543 3182.623       432.6360 357.6234 15.28033 350.1770 26.02816 7.446442       30.18200 
1 1 1 -4  13  17 o 88.91898 32.89148 191.4178       185.2345 194.4602       203.3924 176.6244       448.4943 90.65271 34.27426 107.1649 46.68054 -16.51215      57.91198 
1 1 1 -4  13  18 o 110.6498 24.46222 327.5223       125.9625 371.5100       141.2352 156.4947       278.4904 117.3609 25.86949 92.22598 38.32744 25.13496       46.24092 
1 1 1 -4  13  19 o 125.1103 31.72930 448.2126       190.0338 488.0616       279.7776 414.0814       258.9284 125.0349 40.76289 116.7422 39.25779 8.292717       56.59317 
1 1 1 -4  13  20 o 101.9302 33.10856 299.8199       184.6611 220.2267       336.9327 333.9924       220.7714 98.97890 41.71399 106.3128 36.24646 -7.333939      55.26176 
1 1 1 -4  13  21 o 270.1344 20.96590 1893.271       268.6524 2053.460       377.4400 1728.781       382.4736 271.2939 29.57895 243.8330 33.71043 27.46095       44.84760 
1 1 1 -4  13  22 o 236.7352 20.35746 1456.384       228.1712 1606.616       384.8859 1374.975       283.3267 230.6902 36.07867 223.3800 27.08232 7.310150       45.11233 
1 1 1 -4  13  23 o 68.31462 29.57636 46.93383       177.7861 334.0076       304.8584 -101.0148      218.8553 102.3825 41.01085 63.15000 29.46816 39.23247       50.50012 
1 1 1 -4  13  24 o 86.57589 30.69549 224.0652       159.1143 152.3274       220.2766 302.3351       230.0870 80.56129 33.82675 96.21942 36.43710 -15.65813      49.71832 
1 1 1 -4  13  25 o 56.99404 24.94834 21.14822       129.4721 26.94599       134.7598 -48.41159      466.7770 58.42153 25.51560 82.22514 39.66184 -23.80361      47.16044 
1 1 1 -4  13  26 o 118.8455 27.32639 431.4595       152.0176 422.1238       160.1142 516.8282       484.1783 115.7927 28.99127 101.3511 46.00910 14.44158       54.38134 
1 1 1 -4  13  27 o 70.65950 31.65950 94.54626       220.7626 -85.01602      246.9493 809.0525       492.6100 62.36597 29.75313 108.1894 47.95608 -45.82339      56.43611 
1 1 1 -4  13  28 o 103.4737 29.84377 376.4766       155.7518 466.0920       194.9313 218.2513       259.0168 109.5537 33.82821 77.99747 34.66245 31.55622       48.43380 
1 1 1 -4  14  1  o 55.12716 16.57045 75.36301       47.19279 0.000000       0.000000 75.36301       47.19279 ?        ?        55.12716 16.57045 0.000000       16.57045 
1 1 1 -4  14  2  o 192.5213 9.942456 896.5618       91.20258 0.000000       0.000000 896.5618       91.20258 ?        ?        192.5213 9.942456 0.000000       9.942456 
1 1 1 -4  14  3  o 155.3553 11.48415 587.2545       84.69383 0.000000       0.000000 587.2545       84.69383 ?        ?        155.3553 11.48415 0.000000       11.48415 
1 1 1 -4  14  4  o 161.2922 12.20344 634.2982       93.40492 0.000000       0.000000 634.2982       93.40492 ?        ?        161.2922 12.20344 0.000000       12.20344 
1 1 1 -4  14  5  o 206.9557 9.501808 1035.112       93.76305 0.000000       0.000000 1035.112       93.76305 ?        ?        206.9557 9.501808 0.000000       9.501808 
1 1 1 -4  14  6  o 139.3475 11.00941 472.6673       72.74964 0.000000       0.000000 472.6673       72.74964 ?        ?        139.3475 11.00941 0.000000       11.00941 
1 1 1 -4  14  7  o 203.3664 10.46863 1002.378       101.4410 0.000000       0.000000 1002.378       101.4410 ?        ?        203.3664 10.46863 0.000000       10.46863 
1 1 1 -4  14  8  o 56.41405 16.47912 79.86269       47.21624 0.000000       0.000000 79.86269       47.21624 ?        ?        56.41405 16.47912 0.000000       16.47912 
1 1 1 -4  14  9  o 69.44518 15.63923 122.8066       50.67102 0.000000       0.000000 122.8066       50.67102 ?        ?        69.44518 15.63923 0.000000       15.63923 
1 1 1 -4  14  10 o 43.25564 15.71973 38.38004       42.01771 0.000000       0.000000 38.38004       42.01771 ?        ?        43.25564 15.71973 0.000000       15.71973 
1 1 1 -4  14  11 o 74.61543 13.48401 139.7375       46.33130 173.5299       95.00254 129.1925       53.07016 81.57561 23.23871 71.15734 15.99058 10.41827       28.20880 
1 1 1 -4  14  12 o 149.0541 11.05501 541.3816       78.21835 436.2289       169.8257 569.6941       88.12162 127.0812 28.64000 152.6184 12.17817 -25.53724      31.12165 
1 1 1 -4  14  13 o 101.6380 14.64891 258.0337       69.12950 397.2711       166.9818 229.2335       75.94316 120.6986 29.24751 94.88006 17.38229 25.81850       34.02295 
1 1 1 -4  14  14 o 322.7024 15.62438 2571.864       240.3372 2745.182       315.0722 2330.680       371.6740 330.0352 20.06310 298.5542 26.30823 31.48105       33.08551 
1 1 1 -4  14  15 o 131.9839 18.60487 443.4289       114.1437 436.7761       131.7170 463.4904       228.7294 129.4384 22.07612 126.0028 36.11128 3.435570       42.32469 
1 1 1 -4  14  16 o 267.6523 14.58961 1772.816       185.9848 1845.153       230.2329 1636.953       315.5276 270.7874 17.88418 247.1588 27.14900 23.62869       32.51019 
1 1 1 -4  14  17 o 157.0226 20.11158 636.0917       147.5173 610.3038       154.8148 890.4484       486.2126 152.8115 21.80884 152.8134 53.70399 -0.1892090E-02 57.96330 
1 1 1 -4  14  18 o 223.6113 16.44008 1257.443       174.5257 1199.672       203.8041 1416.301       337.9582 215.8914 19.97189 222.3614 32.77181 -6.470032      38.37796 
1 1 1 -4  14  19 o 55.05108 26.30753 -195.5638      194.7822 -177.9339      216.8236 -269.2911      443.4002 59.63126 28.28555 81.76431 39.23775 -22.13305      48.37017 
1 1 1 -4  14  20 o 151.5113 24.68072 625.2000       172.6287 562.1113       245.1851 687.2183       243.0960 133.2538 37.11570 150.5765 34.50885 -17.32272      50.67974 
1 1 1 -4  14  21 o 95.39686 31.57180 273.0467       167.5824 320.2800       242.1044 229.5988       232.2003 100.5489 37.52489 90.61613 35.95836 9.932724       51.97231 
1 1 1 -4  14  22 o 140.1579 30.84085 600.0261       201.0392 520.3481       235.3019 815.4291       386.8855 123.3776 36.98127 137.5219 47.93588 -14.14433      60.54306 
1 1 1 -4  14  23 f 88.70297 31.19184 248.6698       164.0364 166.4300       231.2101 332.0178       232.7626 80.74640 34.31603 97.26418 36.68958 -16.51778      50.23660 
1 1 1 -4  14  24 o 63.84513 29.17406 -2.453874      198.7656 -754.6553      397.5336 248.2761       229.5143 59.38656 29.94838 86.89543 35.30623 -27.50887      46.29725 
1 1 1 -4  14  25 f 86.51624 34.29236 267.1380       210.9558 172.5455       412.7711 300.5800       245.4294 83.01814 39.27493 89.11364 36.39623 -6.095497      53.54630 
1 1 1 -4  14  26 o 126.5125 37.34495 652.6082       241.4061 666.6078       274.5710 604.9319       506.6965 120.4953 40.42540 93.56052 44.03362 26.93481       59.77602 
1 1 1 -4  15  1  o 333.4589 13.52767 2712.426       215.2144 0.000000       0.000000 2712.426       215.2144 ?        ?        333.4589 13.52767 0.000000       13.52767 
1 1 1 -4  15  2  o 146.2764 12.06492 522.5807       83.62420 0.000000       0.000000 522.5807       83.62420 ?        ?        146.2764 12.06492 0.000000       12.06492 
1 1 1 -4  15  3  o 32.76987 15.33815 -57.24537      60.03661 0.000000       0.000000 -57.24537      60.03661 ?        ?        32.76987 15.33815 0.000000       15.33815 
1 1 1 -4  15  4  o 145.4337 12.45762 517.5223       85.78460 0.000000       0.000000 517.5223       85.78460 ?        ?        145.4337 12.45762 0.000000       12.45762 
1 1 1 -4  15  5  o 336.1830 9.423903 2729.768       151.3165 0.000000       0.000000 2729.768       151.3165 ?        ?        336.1830 9.423903 0.000000       9.423903 
1 1 1 -4  15  6  o 88.90046 14.84711 198.3410       60.87970 0.000000       0.000000 198.3410       60.87970 ?        ?        88.90046 14.84711 0.000000       14.84711 
1 1 1 -4  15  7  o 52.70710 18.59002 61.70393       58.29868 0.000000       0.000000 61.70393       58.29868 ?        ?        52.70710 18.59002 0.000000       18.59002 
1 1 1 -4  15  8  o 53.06184 18.63095 63.10970       58.50804 0.000000       0.000000 63.10970       58.50804 ?        ?        53.06184 18.63095 0.000000       18.63095 
1 1 1 -4  15  9  o 119.3110 15.28606 355.0874       85.19308 0.000000       0.000000 355.0874       85.19308 ?        ?        119.3110 15.28606 0.000000       15.28606 
1 1 1 -4  15  10 o 212.3398 10.48431 1095.510       106.1047 0.000000       0.000000 1095.510       106.1047 ?        ?        212.3398 10.48431 0.000000       10.48431 
1 1 1 -4  15  11 o 42.01217 18.06661 -0.2138408     65.46890 0.000000       0.000000 -0.2138408     65.46890 ?        ?        42.01217 18.06661 0.000000       18.06661 
1 1 1 -4  15  12 o 102.5900 16.46750 267.3366       78.03625 0.000000       0.000000 267.3366       78.03625 ?        ?        102.5900 16.46750 0.000000       16.46750 
1 1 1 -4  15  13 o 238.8998 10.61710 1390.766       120.9605 1438.086       205.5297 1365.690       149.6157 238.6618 18.14897 235.4395 13.34664 3.222321       22.52815 
1 1 1 -4  15  14 f 191.9971 10.45744 899.4653       95.62814 914.3564       195.1783 894.7615       109.6969 187.1520 22.24860 190.8466 12.08475 -3.694595      25.31879 
1 1 1 -4  15  15 o 52.72112 22.34365 18.77732       97.56072 46.98817       108.2569 -103.1928      225.0994 58.74990 24.10401 65.44867 30.31668 -6.698772      38.73118 
1 1 1 -4  15  16 o 124.8657 27.00702 433.8998       156.5259 514.0400       198.2703 301.3298       255.0088 132.8720 31.66311 101.7893 38.40147 31.08269       49.77173 
1 1 1 -4  15  17 o 105.1068 25.83066 308.2650       128.8604 326.4799       134.0013 84.44885       469.7233 108.0145 26.21699 96.47680 44.36789 11.53768       51.53485 
1 1 1 -4  15  18 o 319.5884 14.75077 2559.957       224.7715 2427.941       264.7728 2900.556       425.2863 307.6829 18.07922 321.8731 27.91249 -14.19025      33.25606 
1 1 1 -4  15  19 o 153.3476 29.63416 694.0521       209.3964 677.0246       227.6920 787.4149       533.1620 147.9095 33.03430 126.1018 52.76599 21.80766       62.25363 
1 1 1 -4  15  20 o 102.8296 26.00387 310.0202       127.8990 136.4112       147.5867 833.6359       256.3111 73.41572 28.81128 160.9711 34.35199 -87.55537      44.83469 
1 1 1 -4  15  21 o 55.72306 24.31683 20.73118       122.1752 31.78039       142.7653 -9.502455      236.1578 60.05473 26.24502 68.10736 31.37137 -8.052631      40.90188 
1 1 1 -4  15  22 o 190.9783 20.52736 999.3574       184.4853 1018.290       204.7487 917.6598       425.3253 189.7823 23.03733 131.2667 49.57825 58.51563       54.66921 
1 1 1 -4  15  23 o 75.37656 27.90933 174.6125       133.4267 282.6430       159.6073 -76.07582      243.1346 90.88509 30.82167 62.78213 29.82993 28.10296       42.89289 
1 1 1 -4  15  24 o 92.57867 28.70110 292.3768       140.1578 304.3243       168.0485 265.0738       254.0398 91.00688 31.60048 82.59342 35.55402 8.413460       47.56762 
1 1 1 -4  16  1  o 132.7112 12.52003 433.3299       78.49796 0.000000       0.000000 433.3299       78.49796 ?        ?        132.7112 12.52003 0.000000       12.52003 
1 1 1 -4  16  2  o 188.8809 11.45733 870.8332       102.9751 0.000000       0.000000 870.8332       102.9751 ?        ?        188.8809 11.45733 0.000000       11.45733 
1 1 1 -4  16  3  f 47.59518 16.54857 51.23285       46.09341 0.000000       0.000000 51.23285       46.09341 ?        ?        47.59518 16.54857 0.000000       16.54857 
1 1 1 -4  16  4  o 114.1332 12.32492 321.3619       66.18658 0.000000       0.000000 321.3619       66.18658 ?        ?        114.1332 12.32492 0.000000       12.32492 
1 1 1 -4  16  5  o 54.21515 16.30103 73.86121       45.66579 0.000000       0.000000 73.86121       45.66579 ?        ?        54.21515 16.30103 0.000000       16.30103 
1 1 1 -4  16  6  o 279.6530 12.53618 1915.474       167.1812 0.000000       0.000000 1915.474       167.1812 ?        ?        279.6530 12.53618 0.000000       12.53618 
1 1 1 -4  16  7  o 126.1872 12.93235 393.8081       76.91654 0.000000       0.000000 393.8081       76.91654 ?        ?        126.1872 12.93235 0.000000       12.93235 
1 1 1 -4  16  8  f 381.4237 9.785391 3530.868       178.2935 0.000000       0.000000 3530.868       178.2935 ?        ?        381.4237 9.785391 0.000000       9.785391 
1 1 1 -4  16  9  o 72.34188 18.85027 136.9166       65.84199 0.000000       0.000000 136.9166       65.84199 ?        ?        72.34188 18.85027 0.000000       18.85027 
1 1 1 -4  16  10 o 402.2113 9.995724 3931.012       192.2104 0.000000       0.000000 3931.012       192.2104 ?        ?        402.2113 9.995724 0.000000       9.995724 
1 1 1 -4  16  11 o 226.7000 13.72916 1272.313       148.1028 0.000000       0.000000 1272.313       148.1028 ?        ?        226.7000 13.72916 0.000000       13.72916 
1 1 1 -4  16  12 o 155.6063 14.11705 603.5963       103.8802 0.000000       0.000000 603.5963       103.8802 ?        ?        155.6063 14.11705 0.000000       14.11705 
1 1 1 -4  16  13 o 51.35443 20.23871 45.03292       73.09438 0.000000       0.000000 45.03292       73.09438 ?        ?        51.35443 20.23871 0.000000       20.23871 
1 1 1 -4  16  14 o 37.74907 16.67690 -12.22292      59.09116 -14.71339      103.4025 -11.01517      72.00753 49.60842 21.98136 41.93322 18.47223 7.675198       28.71242 
1 1 1 -4  16  15 o 216.5768 10.45222 1150.865       107.9057 899.1119       218.4927 1232.075       124.0953 179.7226 26.19918 223.4093 11.65873 -43.68671      28.67618 
1 1 1 -4  16  16 o 94.94444 15.99010 234.0885       70.00563 228.4330       123.9078 236.7403       84.84466 88.67832 26.89252 93.77753 19.55826 -5.099213      33.25256 
1 1 1 -4  16  17 o 75.82779 31.26319 133.6679       183.2770 152.2478       201.2052 43.12639       444.1610 78.96632 32.67607 86.50107 40.86816 -7.534744      52.32525 
1 1 1 -4  16  18 o 278.5812 16.03766 2001.449       212.6971 772.5425       247.3217 5491.909       416.8157 153.1442 34.59824 454.8206 19.21210 -301.6763      39.57453 
1 1 1 -4  16  19 o 54.45255 24.29693 -0.1709387     128.5939 -27.31862      132.0773 494.2373       563.6436 52.57231 23.92990 100.9683 47.17326 -48.39597      52.89572 
1 1 1 -4  16  20 o 45.40561 21.44816 -88.13645      122.2265 -94.42468      131.3120 -47.35484      334.4046 46.78002 22.13731 72.35249 34.54654 -25.57247      41.03077 
1 1 1 -4  16  21 o 53.69432 24.19580 2.288495       131.0108 43.64859       137.2476 -422.0165      439.5953 58.54277 25.65482 66.19054 33.11619 -7.647762      41.89095 
1 1 1 -4  16  22 o 53.08158 23.90482 9.444146       127.6520 66.64690       147.5735 -160.5606      254.4079 60.94415 26.65739 58.24556 28.37069 2.698597       38.92958 
1 1 1 -4  17  1  o 384.8997 9.071669 3588.325       166.9333 0.000000       0.000000 3588.325       166.9333 ?        ?        384.8997 9.071669 0.000000       9.071669 
1 1 1 -4  17  2  o 113.9036 16.64568 329.8583       87.96912 0.000000       0.000000 329.8583       87.96912 ?        ?        113.9036 16.64568 0.000000       16.64568 
1 1 1 -4  17  3  o 270.4760 10.11886 1780.606       130.6177 0.000000       0.000000 1780.606       130.6177 ?        ?        270.4760 10.11886 0.000000       10.11886 
1 1 1 -4  17  4  o 216.9038 10.63005 1148.491       109.8970 0.000000       0.000000 1148.491       109.8970 ?        ?        216.9038 10.63005 0.000000       10.63005 
1 1 1 -4  17  5  o 60.52110 20.18094 90.72614       68.44132 0.000000       0.000000 90.72614       68.44132 ?        ?        60.52110 20.18094 0.000000       20.18094 
1 1 1 -4  17  6  o 174.2514 11.94124 747.2143       98.87829 0.000000       0.000000 747.2143       98.87829 ?        ?        174.2514 11.94124 0.000000       11.94124 
1 1 1 -4  17  7  o 144.7232 12.65832 518.8176       86.70280 0.000000       0.000000 518.8176       86.70280 ?        ?        144.7232 12.65832 0.000000       12.65832 
1 1 1 -4  17  8  o 216.1192 10.65310 1143.210       109.7330 0.000000       0.000000 1143.210       109.7330 ?        ?        216.1192 10.65310 0.000000       10.65310 
1 1 1 -4  17  9  o 65.84821 20.10534 113.8140       69.09814 0.000000       0.000000 113.8140       69.09814 ?        ?        65.84821 20.10534 0.000000       20.10534 
1 1 1 -4  17  10 o 77.86156 19.95860 163.0292       74.63421 0.000000       0.000000 163.0292       74.63421 ?        ?        77.86156 19.95860 0.000000       19.95860 
1 1 1 -4  17  11 o 53.44011 17.70155 71.37561       52.67749 0.000000       0.000000 71.37561       52.67749 ?        ?        53.44011 17.70155 0.000000       17.70155 
1 1 1 -4  17  12 o 88.58144 19.97937 212.8334       82.58958 0.000000       0.000000 212.8334       82.58958 ?        ?        88.58144 19.97937 0.000000       19.97937 
1 1 1 -4  17  13 o 102.4374 18.41881 279.6583       86.88857 0.000000       0.000000 279.6583       86.88857 ?        ?        102.4374 18.41881 0.000000       18.41881 
1 1 1 -4  17  14 o 62.31618 22.37778 99.06268       84.83298 0.000000       0.000000 99.06268       84.83298 ?        ?        62.31618 22.37778 0.000000       22.37778 
1 1 1 -4  17  15 o 115.2140 17.41827 351.5813       92.95208 0.000000       0.000000 351.5813       92.95208 ?        ?        115.2140 17.41827 0.000000       17.41827 
1 1 1 -4  17  16 o 157.1568 13.08404 626.1754       97.41577 469.0396       214.6307 666.9445       109.3251 115.0596 35.49083 161.3254 14.32326 -46.26586      38.27211 
1 1 1 -4  17  17 o 89.77589 15.86869 214.3045       65.61909 237.0735       211.9578 211.8909       69.00941 84.34348 34.05215 88.68651 16.89250 -4.343025      38.01191 
1 1 1 -4  17  18 o 107.1582 16.22619 307.4860       80.52988 365.8050       141.4869 279.5404       97.94190 106.8344 27.52960 98.28111 21.44834 8.553268       34.89857 
1 1 1 -4  17  19 o 114.5876 33.58047 493.1683       195.7887 459.1987       231.4502 578.6344       367.1212 103.4073 36.98293 99.60742 42.80765 3.799927       56.57059 
1 1 1 -4  18  1  o 256.1164 10.44062 1610.624       127.5735 0.000000       0.000000 1610.624       127.5735 ?        ?        256.1164 10.44062 0.000000       10.44062 
1 1 1 -4  18  2  o 124.7400 14.68470 395.3869       85.89893 0.000000       0.000000 395.3869       85.89893 ?        ?        124.7400 14.68470 0.000000       14.68470 
1 1 1 -4  18  3  o 186.0739 11.94168 859.0960       105.6722 0.000000       0.000000 859.0960       105.6722 ?        ?        186.0739 11.94168 0.000000       11.94168 
1 1 1 -4  18  4  o 454.7412 13.05290 5152.736       283.4850 0.000000       0.000000 5152.736       283.4850 ?        ?        454.7412 13.05290 0.000000       13.05290 
1 1 1 -4  18  5  o 210.7411 11.73741 1101.233       117.7906 0.000000       0.000000 1101.233       117.7906 ?        ?        210.7411 11.73741 0.000000       11.73741 
1 1 1 -4  18  6  o 69.08434 22.24274 129.4083       83.45641 0.000000       0.000000 129.4083       83.45641 ?        ?        69.08434 22.24274 0.000000       22.24274 
1 1 1 -4  18  7  o 104.9495 14.61020 282.4037       71.32211 0.000000       0.000000 282.4037       71.32211 ?        ?        104.9495 14.61020 0.000000       14.61020 
1 1 1 -4  18  8  o 149.8295 13.11016 565.2802       92.96524 0.000000       0.000000 565.2802       92.96524 ?        ?        149.8295 13.11016 0.000000       13.11016 
1 1 1 -4  18  9  o 154.9399 13.28348 605.9539       97.44881 0.000000       0.000000 605.9539       97.44881 ?        ?        154.9399 13.28348 0.000000       13.28348 
1 1 1 -4  18  10 o 43.82673 18.98581 4.896192       73.34814 0.000000       0.000000 4.896192       73.34814 ?        ?        43.82673 18.98581 0.000000       18.98581 
1 1 1 -4  18  11 o 81.78908 16.22072 177.5476       61.18624 0.000000       0.000000 177.5476       61.18624 ?        ?        81.78908 16.22072 0.000000       16.22072 
1 1 1 -4  18  12 o 144.2383 14.07210 533.5135       95.80670 0.000000       0.000000 533.5135       95.80670 ?        ?        144.2383 14.07210 0.000000       14.07210 
1 1 1 -4  18  13 o 70.34642 18.55766 137.4331       63.30278 0.000000       0.000000 137.4331       63.30278 ?        ?        70.34642 18.55766 0.000000       18.55766 
1 1 1 -4  18  14 o 59.22979 22.24747 90.48715       85.38281 0.000000       0.000000 90.48715       85.38281 ?        ?        59.22979 22.24747 0.000000       22.24747 
1 1 1 -4  18  15 o 105.8011 16.46811 302.1409       80.58992 0.000000       0.000000 302.1409       80.58992 ?        ?        105.8011 16.46811 0.000000       16.46811 
1 1 1 -4  18  16 o 48.07994 20.68070 25.61068       85.82265 0.000000       0.000000 25.61068       85.82265 ?        ?        48.07994 20.68070 0.000000       20.68070 
1 1 1 -4  19  1  o 78.64120 21.68303 176.0946       84.14934 0.000000       0.000000 176.0946       84.14934 ?        ?        78.64120 21.68303 0.000000       21.68303 
1 1 1 -4  19  2  o 71.53004 18.74358 141.0032       64.85904 0.000000       0.000000 141.0032       64.85904 ?        ?        71.53004 18.74358 0.000000       18.74358 
1 1 1 -4  19  3  o 133.9997 14.37840 462.3403       90.67442 0.000000       0.000000 462.3403       90.67442 ?        ?        133.9997 14.37840 0.000000       14.37840 
1 1 1 -4  19  4  o 79.85928 21.50235 182.1729       83.90840 0.000000       0.000000 182.1729       83.90840 ?        ?        79.85928 21.50235 0.000000       21.50235 
1 1 1 -4  19  5  o 160.5758 13.07613 655.8782       99.51653 0.000000       0.000000 655.8782       99.51653 ?        ?        160.5758 13.07613 0.000000       13.07613 
1 1 1 -4  19  6  f 92.68268 17.12121 231.5522       73.07102 0.000000       0.000000 231.5522       73.07102 ?        ?        92.68268 17.12121 0.000000       17.12121 
1 1 1 -4  19  7  o 79.89011 22.84051 187.9441       91.61285 0.000000       0.000000 187.9441       91.61285 ?        ?        79.89011 22.84051 0.000000       22.84051 
1 1 1 -4  19  8  o 86.99251 16.79786 204.9933       67.33275 0.000000       0.000000 204.9933       67.33275 ?        ?        86.99251 16.79786 0.000000       16.79786 
1 1 1 -4  19  9  o 58.48712 21.43615 90.25443       78.37605 0.000000       0.000000 90.25443       78.37605 ?        ?        58.48712 21.43615 0.000000       21.43615 
1 1 1 -4  19  10 f 146.4480 14.52956 560.9669       100.3890 0.000000       0.000000 560.9669       100.3890 ?        ?        146.4480 14.52956 0.000000       14.52956 
1 1 1 -3  -22 1  o 126.6197 12.52592 400.1954       74.83372 400.1954       74.83372 0.000000       0.000000 126.6197 12.52592 ?        ?        0.000000       12.52592 
1 1 1 -3  -22 2  o 72.83580 20.26959 143.3925       73.16000 143.3925       73.16000 0.000000       0.000000 72.83580 20.26959 ?        ?        0.000000       20.26959 
1 1 1 -3  -22 3  o 130.6941 20.88470 458.3600       126.1040 458.3600       126.1040 0.000000       0.000000 130.6941 20.88470 ?        ?        0.000000       20.88470 
1 1 1 -3  -22 4  o 191.0479 13.95369 919.0292       126.5711 919.0292       126.5711 0.000000       0.000000 191.0479 13.95369 ?        ?        0.000000       13.95369 
1 1 1 -3  -22 5  o 45.72243 16.90299 45.09953       48.90685 49.25741       81.05777 42.71944       61.32747 52.86360 21.15656 47.74891 18.62087 5.114689       28.18398 
1 1 1 -3  -22 6  o 55.75047 20.83054 71.06250       74.64825 129.3793       112.2324 24.79624       99.96626 70.13283 25.66009 52.71274 22.48850 17.42009       34.11998 
1 1 1 -3  -22 7  o 100.1892 15.65285 261.0865       72.52493 279.5648       96.16811 236.7176       110.4376 100.9470 20.62399 90.33026 24.81418 10.61671       32.26596 
1 1 1 -3  -21 1  o 49.80252 16.97949 58.46277       48.44631 58.46277       48.44631 0.000000       0.000000 49.80252 16.97949 ?        ?        0.000000       16.97949 
1 1 1 -3  -21 2  o 96.14342 19.14717 241.9259       84.91646 241.9259       84.91646 0.000000       0.000000 96.14342 19.14717 ?        ?        0.000000       19.14717 
1 1 1 -3  -21 3  o 45.02471 19.38875 2.546834       75.60012 2.546834       75.60012 0.000000       0.000000 45.02471 19.38875 ?        ?        0.000000       19.38875 
1 1 1 -3  -21 4  o 52.15093 16.99374 67.07157       48.62807 18.18808       77.27790 99.11713       62.56886 47.75480 20.04265 62.02443 19.16768 -14.26964      27.73280 
1 1 1 -3  -21 5  o 109.3585 15.46167 303.9405       78.58606 284.0661       112.9576 322.5836       109.4026 101.9506 23.63600 109.8581 21.60015 -7.907455      32.01916 
1 1 1 -3  -21 6  o 53.70402 19.34249 65.50533       63.43451 45.82715       81.58997 95.57905       100.8644 53.13876 21.23965 64.81326 24.21425 -11.67450      32.20951 
1 1 1 -3  -21 7  o 126.4035 15.58704 405.6082       92.20269 715.3977       184.0408 301.7982       106.5369 162.3508 24.47069 105.8906 21.77197 56.46014       32.75414 
1 1 1 -3  -21 8  o 137.1171 11.82567 465.7022       76.76535 530.4598       138.8132 437.1731       92.13610 141.3426 21.19501 131.4785 14.92130 9.864151       25.92053 
1 1 1 -3  -21 9  o 150.3568 11.80812 560.4686       84.20076 642.4291       148.6544 521.7515       102.1709 155.8109 20.44901 143.4140 15.12912 12.39687       25.43722 
1 1 1 -3  -21 10 o 104.0993 15.30558 278.4957       73.90154 -0.1889209E-02 211.6218 317.1759       78.86679 68.12411 30.72006 111.2440 15.22820 -43.11993      34.28732 
1 1 1 -3  -21 11 o 136.0962 15.01637 473.2455       96.08307 336.4137       170.3393 537.0980       116.3617 103.6739 31.54984 143.6317 17.29288 -39.95774      35.97827 
1 1 1 -3  -20 1  o 237.6364 12.27281 1379.114       138.9605 1379.114       138.9605 0.000000       0.000000 237.6364 12.27281 ?        ?        0.000000       12.27281 
1 1 1 -3  -20 2  o 162.9176 13.71141 653.8750       105.8067 653.8750       105.8067 0.000000       0.000000 162.9176 13.71141 ?        ?        0.000000       13.71141 
1 1 1 -3  -20 3  o 184.8841 9.496410 828.6359       83.65844 857.5851       108.0800 785.3671       132.1337 187.2795 12.13645 177.8467 15.70140 9.432846       19.84509 
1 1 1 -3  -20 4  o 266.2813 8.267027 1711.521       105.1168 1519.733       139.4340 1964.035       159.9926 249.6787 11.71362 283.8588 11.81517 -34.18004      16.63752 
1 1 1 -3  -20 5  o 73.08759 17.46257 137.8751       60.18187 128.5354       73.75208 156.4869       104.1122 70.53331 20.59344 77.83150 24.82157 -7.298195      32.25213 
1 1 1 -3  -20 6  o 177.1779 11.97876 768.5767       100.8717 730.8026       170.0597 789.0808       125.2927 168.3823 21.62352 178.4346 14.82084 -10.05229      26.21515 
1 1 1 -3  -20 7  o 78.00671 14.63386 154.5081       52.57148 225.1276       100.3317 127.7816       61.72299 91.82719 22.92578 70.11414 18.24186 21.71304       29.29773 
1 1 1 -3  -20 8  o 161.8562 11.88043 643.5646       91.29221 1039.549       186.1100 518.0930       104.7619 201.6913 19.54547 143.7528 15.48738 57.93849       24.93761 
1 1 1 -3  -20 9  o 164.1886 12.94339 666.6199       100.7802 433.5518       152.6419 846.7315       134.1848 125.6819 26.25152 183.9415 15.39984 -58.25961      30.43514 
1 1 1 -3  -20 10 o 95.05781 21.23238 241.4453       94.05436 266.2075       128.4860 212.8575       138.0549 97.58663 26.74820 87.72722 28.63641 9.859413       39.18558 
1 1 1 -3  -20 11 o 46.10254 21.38848 -75.11638      112.6974 -116.6782      214.4100 -59.25076      132.4727 62.57153 29.18799 51.91892 23.75941 10.65260       37.63573 
1 1 1 -3  -20 12 o 133.5352 17.71177 459.0526       110.2891 325.7974       158.1765 585.1307       153.8579 105.6897 29.94503 148.0513 22.43947 -42.36153      37.41971 
1 1 1 -3  -20 13 o 106.6360 21.63212 307.7073       106.5080 436.6091       158.7673 202.2289       143.6195 123.4608 27.59325 84.77356 29.22439 38.68725       40.19269 
1 1 1 -3  -20 14 o 85.10374 26.16933 207.0544       116.8029 321.1201       224.0862 164.5027       136.8661 100.0135 36.30886 77.91698 28.36302 22.09657       46.07379 
1 1 1 -3  -20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  -19 1  o 195.1063 11.31719 924.2975       105.1115 924.2975       105.1115 0.000000       0.000000 195.1063 11.31719 ?        ?        0.000000       11.31719 
1 1 1 -3  -19 2  o 225.5522 9.265939 1228.526       99.70551 1258.155       126.3691 1179.662       162.2837 227.5971 11.65235 218.9909 15.60251 8.606201       19.47346 
1 1 1 -3  -19 3  o 196.4108 8.523237 930.7930       79.84418 1003.072       101.0052 810.3877       130.3647 203.4501 10.41901 181.3906 15.17154 22.05949       18.40466 
1 1 1 -3  -19 4  o 141.1391 9.609776 483.0718       64.45712 490.2586       87.95902 474.7361       94.72929 141.3185 13.17050 138.6591 14.50415 2.659363       19.59164 
1 1 1 -3  -19 5  o 87.49287 14.25437 191.5578       57.57427 -24.23585      113.7178 265.9383       66.76340 52.20005 23.09456 103.5328 13.83404 -51.33277      26.92098 
1 1 1 -3  -19 6  o 128.6019 11.26938 403.9171       68.58812 463.2457       113.5818 369.8657       86.04856 135.7294 17.94261 121.9874 15.07477 13.74198       23.43472 
1 1 1 -3  -19 7  f 52.33765 20.26820 47.26630       72.26522 192.1693       153.0478 5.691298       81.97934 87.29036 30.16500 47.79015 20.37603 39.50021       36.40205 
1 1 1 -3  -19 8  o 66.54512 19.41462 113.1018       65.57163 174.6472       104.6701 73.34588       84.12516 81.81476 24.69685 59.59875 22.14356 22.21601       33.17035 
1 1 1 -3  -19 9  o 94.15315 15.34321 223.0903       66.68909 -10.78258      188.8044 256.4283       71.28398 67.98586 29.93151 101.1263 15.21514 -33.14042      33.57671 
1 1 1 -3  -19 10 o 179.0762 12.39583 785.0986       105.4711 734.9742       158.2557 825.1533       141.4692 170.1609 19.82404 182.0192 16.43367 -11.85832      25.74991 
1 1 1 -3  -19 11 o 52.19207 20.75784 41.51657       77.54774 178.3498       205.2576 18.73321       83.75531 88.32746 34.17135 49.92883 20.90444 38.39863       40.05842 
1 1 1 -3  -19 12 o 183.0313 13.40682 826.9949       116.5027 830.2550       179.1277 824.6049       153.3735 179.2009 21.32594 180.5116 18.01224 -1.310760      27.91481 
1 1 1 -3  -19 13 f 250.3333 13.13387 1545.500       156.6382 1719.140       234.1044 1404.753       210.7685 259.8174 18.97748 234.7814 18.93789 25.03598       26.81023 
1 1 1 -3  -19 14 o 150.8724 16.75150 577.5136       118.7950 430.3255       232.7421 629.3691       138.1452 117.9348 37.05019 156.4092 18.85404 -38.47441      41.57153 
1 1 1 -3  -19 15 o 100.4251 19.54588 265.7442       90.46623 217.0385       136.1196 304.2785       121.0750 88.14242 28.40909 105.1552 24.53413 -17.01276      37.53664 
1 1 1 -3  -19 16 o 138.1313 17.59633 492.0269       113.5701 406.5994       151.7157 600.9116       171.2833 119.6060 27.15458 147.6868 25.15961 -28.08082      37.01860 
1 1 1 -3  -19 17 o 61.74154 23.22664 87.53722       93.14178 29.03160       133.7998 142.5452       129.7388 59.80253 25.77352 74.22503 27.51392 -14.42250      37.70000 
1 1 1 -3  -19 18 o 61.55676 21.90890 95.05399       81.12911 244.8122       332.6621 85.58360       83.65501 93.19124 40.40158 59.92263 22.11492 33.26861       46.05820 
1 1 1 -3  -18 1  o 188.0794 10.56289 856.3589       94.59839 856.3589       94.59839 0.000000       0.000000 188.0794 10.56289 ?        ?        0.000000       10.56289 
1 1 1 -3  -18 2  o 129.4546 9.073266 405.3818       55.79956 458.3155       76.84377 346.3378       81.15782 137.1484 11.83519 118.4286 14.64573 18.71985       18.83000 
1 1 1 -3  -18 3  o 132.0668 8.741011 421.4650       54.87987 435.1445       70.78033 400.8449       86.90042 133.7550 11.17054 127.5712 14.50552 6.183800       18.30822 
1 1 1 -3  -18 4  o 195.3549 10.09806 922.6010       93.99275 945.3241       131.5953 898.9351       134.2975 196.7257 14.08491 191.6081 14.77443 5.117584       20.41246 
1 1 1 -3  -18 5  o 123.5721 10.57743 371.1300       61.88937 355.0538       93.26406 383.7795       82.72941 119.3560 16.80911 124.8971 14.10102 -5.541168      21.94049 
1 1 1 -3  -18 6  o 198.6382 9.971604 953.7004       94.39414 789.8738       154.2775 1051.727       119.3387 178.3205 18.35845 208.1078 12.04605 -29.78734      21.95769 
1 1 1 -3  -18 7  o 294.0854 12.61176 2100.654       176.9078 2140.833       256.8519 2064.393       244.0125 294.3206 18.34504 289.3135 17.72658 5.007050       25.51023 
1 1 1 -3  -18 8  o 49.52293 16.18609 58.12907       44.09938 148.3676       95.74120 33.82817       49.68371 76.56123 23.71901 44.16225 16.88223 32.39898       29.11359 
1 1 1 -3  -18 9  o 154.4517 12.24354 582.4672       89.66905 462.9632       171.1030 627.7153       105.2851 131.8591 28.00744 159.8993 13.91078 -28.04022      31.27182 
1 1 1 -3  -18 10 o 198.0061 10.42583 950.6345       98.34776 1068.681       169.0580 890.2495       120.9132 207.5383 17.19255 190.7333 13.34403 16.80499       21.76343 
1 1 1 -3  -18 11 o 119.9145 13.78232 355.3011       77.57878 323.3376       127.5942 374.0473       97.71513 110.6515 24.74107 122.0078 17.23109 -11.35630      30.15014 
1 1 1 -3  -18 12 o 116.8515 13.70857 337.7736       75.12888 373.8048       192.9472 331.3345       81.56615 115.8891 33.15190 115.2901 15.16562 0.5989685      36.45606 
1 1 1 -3  -18 13 o 279.0996 13.49838 1907.181       179.5807 1814.029       264.6667 1986.655       244.4654 267.8618 20.83078 282.1650 18.21938 -14.30322      27.67430 
1 1 1 -3  -18 14 o 139.2576 19.29275 493.8143       125.0002 439.0919       221.1216 519.5145       151.5365 123.4680 35.54355 141.0322 23.28652 -17.56425      42.49242 
1 1 1 -3  -18 15 o 137.3381 14.73533 470.1782       95.24072 301.0734       144.3387 600.5812       126.7502 104.3120 28.25134 154.1836 17.50444 -49.87162      33.23467 
1 1 1 -3  -18 16 o 99.58361 19.60198 259.4599       90.00054 209.5581       134.6985 299.7054       120.9660 87.65056 28.26129 105.0085 24.53899 -17.35792      37.42810 
1 1 1 -3  -18 17 o 111.3969 16.84269 317.5464       86.90244 870.0780       265.1238 251.0364       91.98422 172.7705 33.30486 97.35421 20.41604 75.41631       39.06441 
1 1 1 -3  -18 18 o 58.81624 20.99065 81.33805       74.52008 182.9948       309.4064 75.07801       76.78028 92.77802 39.57204 57.81343 21.21227 34.96459       44.89886 
1 1 1 -3  -18 19 f 74.55109 21.29621 150.6013       79.67595 276.7198       200.6606 126.9953       86.81292 95.85017 34.41685 69.26096 22.71435 26.58922       41.23665 
1 1 1 -3  -18 20 f 179.8273 15.78711 825.8491       134.3511 759.2213       241.1055 855.8539       161.7989 156.5520 33.24200 180.5467 19.03059 -23.99469      38.30397 
1 1 1 -3  -17 1  o 116.0198 8.842540 325.4738       48.67809 330.9330       62.18375 316.8341       78.22789 116.5803 11.29838 113.3019 14.79468 3.278328       18.61547 
1 1 1 -3  -17 2  o 102.5012 9.507164 254.9831       46.05856 269.9343       64.93417 239.8440       65.34102 104.7746 13.25956 98.43668 14.30238 6.337952       19.50318 
1 1 1 -3  -17 3  f 41.63454 14.71629 36.90067       36.54923 58.89676       44.57255 -8.244443      63.85575 49.94205 16.26939 40.66618 17.66508 9.275867       24.01558 
1 1 1 -3  -17 4  o 191.5395 10.33611 886.7567       94.30006 909.3706       135.9361 865.7792       130.9258 192.8581 14.85755 188.2065 14.66636 4.651611       20.87700 
1 1 1 -3  -17 5  o 152.8997 10.30516 566.0287       74.89034 485.1294       116.9657 622.2362       97.49508 139.6406 17.93369 159.7975 12.87036 -20.15681      22.07404 
1 1 1 -3  -17 6  o 157.8366 10.96934 604.0781       82.25941 633.3937       135.5891 587.0035       103.4782 159.7634 18.06839 154.8554 14.13260 4.908051       22.93898 
1 1 1 -3  -17 7  o 238.7132 9.479587 1374.268       107.9717 1325.092       191.0391 1397.349       130.8800 232.0105 17.34850 240.2363 11.42808 -8.225769      20.77430 
1 1 1 -3  -17 8  o 331.9877 10.66126 2661.907       168.9956 2871.965       215.0205 2322.481       273.3279 343.9620 13.09953 306.7906 18.72436 37.17142       22.85168 
1 1 1 -3  -17 9  o 355.0861 14.33072 3069.486       242.7822 3004.914       349.6295 3129.616       337.3895 347.6669 21.13453 355.5845 19.92604 -7.917633      29.04679 
1 1 1 -3  -17 10 o 224.6399 10.42934 1219.835       111.7031 1383.276       160.3976 1065.920       155.6533 238.1653 14.15054 208.4571 15.73445 29.70827       21.16154 
1 1 1 -3  -17 11 o 170.3691 10.98616 703.9790       89.00691 776.7850       148.9105 663.5088       111.0221 176.9969 17.84070 164.5648 14.25155 12.43217       22.83412 
1 1 1 -3  -17 12 o 183.2007 10.79453 813.8649       94.12614 838.9668       157.9831 800.0505       117.1986 183.6537 18.23348 180.8656 13.65456 2.788101       22.77953 
1 1 1 -3  -17 13 o 230.4126 10.28744 1285.425       113.0382 1187.467       201.0687 1330.691       136.6830 217.8695 19.50996 233.8203 12.27005 -15.95084      23.04762 
1 1 1 -3  -17 14 o 83.35256 20.71606 180.3540       82.19403 242.5981       184.1903 164.8771       91.84606 96.74543 33.10463 79.72527 22.89382 17.02016       40.24977 
1 1 1 -3  -17 15 o 202.9546 10.63563 1000.053       102.8376 1099.319       169.6966 942.4394       129.2810 210.3578 17.01874 195.9385 13.89093 14.41928       21.96806 
1 1 1 -3  -17 16 o 67.28122 18.49340 116.2762       61.32043 261.6773       118.3615 62.93214       71.69182 99.12031 24.98779 55.33165 20.46334 43.78866       32.29764 
1 1 1 -3  -17 17 f 82.50509 19.95917 177.7797       77.86350 -38.34650      251.4731 200.6969       81.88769 74.81918 33.63510 87.71188 19.97613 -12.89271      39.11989 
1 1 1 -3  -17 18 o 262.2661 22.53017 1783.237       279.7628 1783.237       279.7628 0.000000       0.000000 262.2661 22.53017 ?        ?        0.000000       22.53017 
1 1 1 -3  -17 19 o 64.96984 24.49280 92.04506       103.6948 -158.5872      191.6713 195.7557       123.2963 56.77593 26.83106 84.80387 27.00808 -28.02794      38.07022 
1 1 1 -3  -17 20 o 145.9552 16.07055 539.1604       110.2859 524.4394       349.3887 540.7895       116.2281 123.1872 45.24129 145.7062 17.00422 -22.51906      48.33133 
1 1 1 -3  -17 21 o 72.73131 22.25194 142.3103       84.58523 344.4395       376.2661 131.5519       86.80710 105.2681 44.20617 70.39458 22.68670 34.87349       49.68774 
1 1 1 -3  -17 22 o 59.91697 25.43811 41.12101       126.8326 169.9931       238.6269 -9.620299      149.7341 84.35557 35.29946 58.53017 26.16022 25.82540       43.93642 
1 1 1 -3  -16 1  o 236.6930 7.887617 1346.051       89.13178 1328.226       128.3230 1362.667       123.8963 234.4528 11.48323 237.5976 10.93640 -3.144775      15.85778 
1 1 1 -3  -16 2  o 164.1623 8.122545 648.5118       63.55111 701.3459       80.60555 561.7178       103.3123 170.4620 9.933785 151.6205 14.42595 18.84155       17.51537 
1 1 1 -3  -16 3  o 19.37656 9.364772 -42.37004      26.33715 -105.7639      73.63522 -33.07050      28.20284 33.21167 15.95149 21.71279 10.27030 11.49888       18.97180 
1 1 1 -3  -16 4  o 361.7850 7.758584 3141.331       134.1966 3068.545       194.6737 3207.236       185.2426 356.5591 11.43482 364.7714 10.63348 -8.212250      15.61493 
1 1 1 -3  -16 5  o 146.3590 9.911764 517.7685       68.94605 547.6693       101.3071 491.9706       94.10016 149.6713 14.33261 141.8481 14.06066 7.823273       20.07800 
1 1 1 -3  -16 6  o 279.7327 9.276481 1883.609       123.8893 1964.268       230.3608 1850.786       146.9504 283.3475 17.08453 276.8609 11.12464 6.486542       20.38722 
1 1 1 -3  -16 7  o 43.98698 15.05336 43.22546       38.08547 45.95628       77.06882 42.34309       43.80850 53.66593 20.88968 45.01345 16.09085 8.652481       26.36843 
1 1 1 -3  -16 8  o 248.5752 9.154090 1488.046       108.6023 1424.908       182.3236 1522.766       135.2054 241.4446 15.88312 250.9807 11.29692 -9.536102      19.49086 
1 1 1 -3  -16 9  o 138.1653 11.26081 463.6593       73.73910 530.9837       119.3371 422.0785       93.78558 146.4220 17.38653 130.8918 15.27374 15.53018       23.14257 
1 1 1 -3  -16 10 o 348.9406 13.73343 2957.705       228.6598 3115.617       330.2576 2812.305       316.9033 355.2992 19.51739 337.3946 19.73240 17.90457       27.75421 
1 1 1 -3  -16 11 o 252.6649 11.55593 1545.441       139.2217 1641.819       205.9473 1464.332       188.9299 258.6876 16.74214 244.4285 16.25986 14.25909       23.33843 
1 1 1 -3  -16 12 o 143.1131 11.65124 498.1003       79.02956 418.2255       131.8984 542.8361       98.71023 128.0764 22.35353 148.8906 14.03262 -20.81419      26.39308 
1 1 1 -3  -16 13 o 95.02666 15.06015 224.9282       66.14120 94.95612       185.8724 243.7717       70.77361 79.30468 31.93388 98.90775 15.47373 -19.60307      35.48534 
1 1 1 -3  -16 14 o 101.7814 12.69617 254.7770       60.44053 284.5310       102.3862 238.8626       74.87955 105.4082 21.05427 97.53572 16.65550 7.872490       26.84563 
1 1 1 -3  -16 15 o 114.3224 13.12929 321.4883       70.45880 397.0254       113.5457 274.1888       89.85023 125.2732 19.60056 103.9221 18.77516 21.35107       27.14201 
1 1 1 -3  -16 16 o 47.04967 18.58984 32.56073       61.81182 -331.8030      167.1512 90.28016       66.52777 44.69077 22.01789 60.99639 19.87687 -16.30561      29.66273 
1 1 1 -3  -16 17 o 219.4140 11.85043 1171.979       123.8489 1285.824       186.5460 1082.249       165.6140 227.6009 17.27262 208.9564 16.71737 18.64450       24.03776 
1 1 1 -3  -16 18 o 184.8912 13.49923 838.6948       118.5034 636.2324       211.6938 931.0926       143.0101 153.3217 29.95454 194.0692 15.54336 -40.74750      33.74716 
1 1 1 -3  -16 19 o 130.6796 21.71897 442.0973       130.9312 376.7703       319.5109 455.2813       143.5364 115.6971 43.12211 131.7677 23.65397 -16.07065      49.18361 
1 1 1 -3  -16 20 o 151.0701 15.21923 569.5439       108.4241 766.5665       220.1873 506.4792       124.5740 167.6272 28.49391 140.7434 18.99833 26.88387       34.24675 
1 1 1 -3  -16 21 o 91.92539 21.13617 224.9751       90.94714 421.6663       219.4222 184.1746       99.93573 118.1646 35.77674 82.59262 23.93086 35.57201       43.04256 
1 1 1 -3  -16 22 o 87.66299 27.96738 213.4270       132.1644 473.0799       241.1873 102.0010       157.9978 122.7108 37.58096 72.85300 29.40458 49.85783       47.71748 
1 1 1 -3  -16 23 o 95.29347 22.01139 247.3344       98.26077 405.5345       228.7001 211.5196       108.8164 112.4592 36.86651 87.01893 24.89743 25.44028       44.48620 
1 1 1 -3  -16 24 o 166.5394 23.08266 758.2057       178.8506 639.2403       679.1714 767.0702       185.3943 115.0426 53.06625 166.7637 23.93879 -51.72115      58.21591 
1 1 1 -3  -15 1  o 363.7413 8.443258 3175.402       146.8287 3150.419       246.5385 3189.134       182.7797 360.6852 14.32560 363.9788 10.51475 -3.293518      17.77028 
1 1 1 -3  -15 2  o 205.6036 8.872464 1016.906       87.00813 916.5311       141.5682 1077.837       110.2992 193.9182 15.39628 211.3429 10.95370 -17.42468      18.89522 
1 1 1 -3  -15 3  f 248.0214 11.22637 1484.202       132.7729 1475.803       188.8695 1492.408       186.6880 246.1096 16.14093 247.5773 15.85572 -1.467743      22.62595 
1 1 1 -3  -15 4  o 282.2418 11.98666 1923.793       161.3756 1945.074       229.4461 1902.961       227.0124 282.3363 17.07816 279.2500 17.08566 3.086334       24.15747 
1 1 1 -3  -15 5  o 293.4207 9.167302 2070.417       128.4422 2121.102       245.5168 2051.319       150.7112 294.6961 17.50490 291.7201 10.82491 2.975952       20.58155 
1 1 1 -3  -15 6  o 253.0996 11.37332 1546.377       137.2702 1565.534       196.2491 1528.026       192.0768 253.3804 16.28667 250.3610 16.13310 3.019348       22.92450 
1 1 1 -3  -15 7  o 333.8782 8.090513 2675.490       129.1435 2936.698       200.3380 2489.773       168.9262 348.7468 12.03361 321.3477 11.01173 27.39902       16.31153 
1 1 1 -3  -15 8  o 537.0390 11.02094 6947.289       282.9650 6924.180       309.7741 7063.726       695.3527 535.7277 12.09463 530.4290 27.51417 5.298706       30.05511 
1 1 1 -3  -15 9  o 199.6577 9.759465 961.0967       92.87579 995.3373       157.6153 942.8836       114.9529 201.6275 16.49489 197.2686 12.24903 4.358963       20.54556 
1 1 1 -3  -15 10 o 429.5534 9.889220 4439.732       203.0895 4898.075       475.1197 4337.265       224.6468 444.7073 22.41938 424.0702 11.08988 20.63708       25.01228 
1 1 1 -3  -15 11 o 99.69028 13.49853 244.7947       62.68356 525.3378       161.2102 194.8245       68.03751 143.5392 24.36170 88.02271 16.77992 55.51651       29.58138 
1 1 1 -3  -15 12 o 236.0172 11.64503 1348.037       130.9935 1363.604       195.8425 1335.434       176.2137 235.5866 17.51320 233.6942 15.86595 1.892380       23.63135 
1 1 1 -3  -15 13 o 276.0414 11.81762 1844.275       155.5989 1911.991       218.5436 1774.658       221.5881 279.4819 16.42841 268.8672 17.33084 10.61469       23.87993 
1 1 1 -3  -15 14 o 223.4078 11.54624 1208.807       122.9055 1206.683       179.5703 1210.679       168.5792 221.5152 17.08797 222.2742 15.97022 -0.7590637     23.38903 
1 1 1 -3  -15 15 o 101.2919 15.83826 255.7598       74.18882 195.6995       155.2810 273.5246       84.45094 89.38847 30.39997 104.3773 17.54531 -14.98879      35.09980 
1 1 1 -3  -15 16 o 382.9313 15.21646 3577.754       278.0209 3410.709       397.2117 3738.186       389.2703 369.3948 22.59990 387.8725 21.07113 -18.47769      30.89900 
1 1 1 -3  -15 17 o 246.3070 12.76197 1475.281       149.7680 1147.854       210.5836 1810.410       213.0459 214.0864 20.83776 271.4236 16.49576 -57.33719      26.57673 
1 1 1 -3  -15 18 o 59.74346 21.81477 75.41225       81.05412 26.36411       109.2424 135.4845       120.8974 57.35000 23.93282 75.95744 26.77237 -18.60744      35.91017 
1 1 1 -3  -15 19 f 128.4453 19.18726 417.9872       114.2190 1.609184       203.8193 608.6106       137.9080 71.87832 31.38651 155.5423 18.93493 -83.66399      36.65576 
1 1 1 -3  -15 20 o 103.5000 19.70793 275.4012       93.95845 185.3567       209.4727 298.0807       105.1273 90.63262 34.66022 107.2359 21.25673 -16.60324      40.65931 
1 1 1 -3  -15 21 o 120.8327 26.00356 390.8896       145.7644 769.0549       369.6197 321.2452       158.6197 155.7443 46.27018 108.0637 29.75951 47.68060       55.01416 
1 1 1 -3  -15 22 f 51.19818 21.01274 30.09881       82.30556 423.2285       217.3297 -35.72606      88.92956 119.8901 35.44509 44.11876 19.90291 75.77132       40.65071 
1 1 1 -3  -15 23 o 41.30028 18.42050 -21.29827      73.83089 312.9545       369.1468 -35.22607      75.35340 106.7208 44.21939 40.05533 18.17046 66.66549       47.80711 
1 1 1 -3  -15 24 o 84.03068 28.09227 193.3290       132.6063 564.2125       395.2936 146.2990       140.7630 124.8479 47.64553 76.93401 28.63230 47.91391       55.58691 
1 1 1 -3  -15 25 f 110.0681 20.72342 324.9769       105.0512 -815.8362      423.1648 399.9012       108.4460 63.93127 32.05866 123.3756 18.99397 -59.44429      37.26297 
1 1 1 -3  -15 26 o 35.95334 17.16128 -93.70551      82.38018 -53.02126      420.5224 -95.32915      84.00793 82.77274 39.29998 36.29557 17.32611 46.47717       42.94977 
1 1 1 -3  -14 1  o 298.2400 7.571811 2132.890       107.8755 2133.137       155.2154 2132.658       150.0343 297.7560 10.92201 297.7861 10.55517 -0.3012085E-01 15.18887 
1 1 1 -3  -14 2  o 254.7662 9.058075 1559.152       110.1525 1642.648       197.5843 1521.499       132.6852 260.1950 15.96025 251.3633 11.06823 8.831772       19.42255 
1 1 1 -3  -14 3  o 115.8069 10.11760 324.5170       55.45510 444.1304       78.56738 205.7647       78.28409 135.2929 12.28036 90.44077 18.72224 44.85216       22.39039 
1 1 1 -3  -14 4  f 50.46249 13.15371 63.63715       32.05265 135.3620       49.72753 12.65795       41.92360 73.60859 14.64598 36.97613 15.06498 36.63246       21.01091 
1 1 1 -3  -14 5  o 221.6248 10.59784 1183.363       111.9653 1264.775       160.3727 1105.946       156.3883 228.3181 14.77131 213.2890 15.44109 15.02914       21.36864 
1 1 1 -3  -14 6  o 302.5323 9.179150 2199.500       132.6111 2171.239       255.0980 2209.966       155.2348 298.3601 17.96698 302.9582 10.73458 -4.598114      20.92949 
1 1 1 -3  -14 7  o 187.9432 10.19000 851.6091       91.21826 956.9598       135.9747 765.4005       123.0027 198.4493 14.43038 177.3214 14.63958 21.12791       20.55610 
1 1 1 -3  -14 8  o 188.6336 10.91602 859.1495       98.02406 865.8381       152.1364 854.4019       128.1765 188.0206 17.11192 187.4181 14.41570 0.6024780      22.37477 
1 1 1 -3  -14 9  o 193.0972 11.23526 900.8588       103.2732 898.0186       164.0281 902.7241       132.9274 191.1757 18.16436 192.6134 14.54252 -1.437759      23.26863 
1 1 1 -3  -14 10 o 307.9413 9.506527 2281.228       139.7905 2458.721       275.1542 2219.477       162.2959 317.0753 18.22803 303.3659 11.20934 13.70932       21.39884 
1 1 1 -3  -14 11 o 135.6401 11.51419 446.4961       73.96223 438.6837       117.1362 451.6761       95.38094 132.7510 18.99724 135.7437 14.94411 -2.992661      24.17068 
1 1 1 -3  -14 12 o 87.81078 16.46238 193.3469       66.57279 115.0124       157.7144 210.3304       73.43575 78.49613 30.06091 91.46577 17.42964 -12.96964      34.74839 
1 1 1 -3  -14 13 o 303.2123 12.80061 2225.566       185.1432 2369.472       269.0742 2096.172       255.1449 310.9305 18.18022 292.3215 18.34907 18.60907       25.83038 
1 1 1 -3  -14 14 o 118.1746 13.75149 342.6550       76.24339 465.5781       145.4752 296.1038       89.52355 135.2650 23.33850 108.7585 17.83498 26.50653       29.37298 
1 1 1 -3  -14 15 o 106.2021 13.54199 277.5364       67.19618 147.3107       104.7725 368.5323       87.58102 77.35226 24.92353 122.1898 15.32867 -44.83757      29.26005 
1 1 1 -3  -14 16 o 201.8886 11.76689 988.1042       113.0825 1143.341       179.1736 885.3312       145.7861 215.4573 17.54596 189.8554 16.21656 25.60187       23.89221 
1 1 1 -3  -14 17 f 158.8914 12.11891 613.9766       91.36572 503.6991       140.1086 695.5672       120.5150 141.1830 21.42980 168.4106 15.12904 -27.22758      26.23212 
1 1 1 -3  -14 18 o 270.5389 10.78539 1769.051       139.2203 1598.642       233.6706 1862.831       173.3461 254.0385 19.38603 276.9016 13.13166 -22.86307      23.41492 
1 1 1 -3  -14 19 o 71.93913 24.87310 121.2739       104.0646 119.9720       189.7097 121.8342       124.4614 82.31161 32.55328 74.39526 27.05219 7.916351       42.32656 
1 1 1 -3  -14 20 o 143.6084 13.27111 505.8823       90.08588 502.2207       149.0970 507.9877       113.0560 139.6183 23.14694 142.8066 16.88534 -3.188309      28.65127 
1 1 1 -3  -14 21 o 58.99915 24.11825 41.52749       107.8903 265.0353       215.1570 -33.55295      124.7017 101.0849 35.70783 53.79935 23.97106 47.28557       43.00768 
1 1 1 -3  -14 22 o 135.7872 15.70884 459.0412       100.1005 512.9340       227.9451 446.1650       111.4188 134.5405 35.08167 133.0423 17.97656 1.498169       39.41928 
1 1 1 -3  -14 23 o 190.9331 16.00870 906.7980       144.7879 1612.327       641.2936 868.9025       148.6255 206.8987 60.81310 186.4854 16.85185 20.41335       63.10481 
1 1 1 -3  -14 24 o 155.7098 17.07730 612.7148       125.0452 528.7849       668.5942 615.7570       127.2913 127.0536 56.11479 155.9589 17.36605 -28.90537      58.74052 
1 1 1 -3  -14 25 o 160.0883 16.69488 649.4175       125.9011 561.3386       419.9546 658.1156       131.9713 125.2361 48.75918 160.7541 17.45119 -35.51804      51.78805 
1 1 1 -3  -14 26 o 116.7266 18.96058 356.3178       102.1831 29.63935       257.1356 417.5811       111.3530 76.92593 34.33887 126.5231 18.99474 -49.59713      39.24230 
1 1 1 -3  -14 27 f 45.47564 21.67104 -129.9585      130.2551 497.2868       276.2406 -309.2919      147.7064 118.2472 40.53910 40.17146 19.95231 78.07571       45.18311 
1 1 1 -3  -13 1  o 347.5081 9.086775 2896.579       150.8378 2739.697       311.2249 2944.742       172.4446 335.9042 19.46321 350.2171 10.31043 -14.31290      22.02547 
1 1 1 -3  -13 2  o 293.2484 12.07372 2069.321       168.9099 2213.097       239.6249 1927.331       238.1315 302.4018 16.63858 281.8943 17.75967 20.50745       24.33615 
1 1 1 -3  -13 3  o 141.9622 9.641600 485.5484       65.04974 478.1229       94.42332 492.2560       89.74345 140.2093 14.28553 142.4416 13.33320 -2.232224      19.54100 
1 1 1 -3  -13 4  o 141.0340 9.597442 479.2774       64.32684 534.5116       95.68677 433.7303       86.89167 148.4116 13.63814 133.5340 13.80966 14.87769       19.40891 
1 1 1 -3  -13 5  o 98.15626 11.08988 234.3123       51.13162 294.7014       71.17350 169.9020       73.50491 109.7728 13.87086 82.11774 19.08660 27.65511       23.59447 
1 1 1 -3  -13 6  o 203.0273 9.121543 990.6710       88.31219 1017.736       144.3262 974.4729       111.6546 204.8952 14.83391 201.0122 11.66855 3.882965       18.87326 
1 1 1 -3  -13 7  o 241.1512 11.28025 1400.805       129.6914 1396.154       187.8245 1405.043       179.2954 239.7175 16.48912 240.6703 15.66771 -0.9527435     22.74573 
1 1 1 -3  -13 8  o 431.4381 9.758051 4469.179       201.2751 4775.531       472.9427 4401.420       222.4229 441.2878 22.49122 427.7899 10.88412 13.49786       24.98638 
1 1 1 -3  -13 9  o 238.1080 11.00698 1366.269       124.9609 1342.517       175.2464 1390.837       178.2343 235.0518 15.68444 239.2663 15.66741 -4.214478      22.16911 
1 1 1 -3  -13 10 o 272.6966 9.063235 1787.300       117.9961 2170.519       188.5380 1540.550       151.2876 299.6686 13.19213 252.5020 12.57183 47.16661       18.22315 
1 1 1 -3  -13 11 o 99.41361 13.32382 242.7140       61.73316 61.64589       100.6728 351.8293       78.15087 61.56035 23.89971 119.8980 13.89038 -58.33763      27.64306 
1 1 1 -3  -13 12 o 211.5606 11.27058 1080.797       113.5846 1140.414       169.7862 1032.502       152.8164 216.1003 16.55999 205.8002 15.64890 10.30011       22.78424 
1 1 1 -3  -13 13 o 131.4870 13.11803 421.5493       81.36379 420.6591       155.9246 421.8823       95.37891 127.8753 26.38050 131.0298 15.52701 -3.154488      30.61076 
1 1 1 -3  -13 14 o 58.61344 17.26188 85.08349       51.62740 -24.05120      82.47620 155.3979       66.20175 44.44086 19.66454 78.31502 18.05150 -33.87415      26.69365 
1 1 1 -3  -13 15 o 57.71399 18.23152 80.44778       56.28240 43.95018       100.7434 97.00774       67.86003 58.61724 23.54258 63.24115 20.02433 -4.623909      30.90675 
1 1 1 -3  -13 16 o 163.1369 11.47459 645.1094       88.92393 648.3054       134.1730 642.6060       118.7496 162.0516 17.60058 161.8951 15.53261 0.1565247      23.47429 
1 1 1 -3  -13 17 o 151.7121 13.42776 561.7486       96.38934 357.1713       174.2695 651.9195       115.6980 116.0949 30.86783 163.1270 15.00307 -47.03207      34.32077 
1 1 1 -3  -13 18 o 116.3738 13.60288 332.6792       74.25623 174.8746       118.4046 434.9794       95.33389 83.46990 26.45320 132.8573 15.28738 -49.38738      30.55284 
1 1 1 -3  -13 19 o 70.74718 22.34629 123.6047       84.55669 97.80289       116.6188 152.2055       122.7815 69.68577 26.03630 79.61990 27.03278 -9.934128      37.53212 
1 1 1 -3  -13 20 o 279.9072 12.87824 1902.568       171.8753 1834.073       246.8774 1966.993       239.4304 272.2857 19.08567 282.6289 17.81018 -10.34314      26.10489 
1 1 1 -3  -13 21 o 194.6868 12.51510 922.8362       115.8704 913.6247       179.6737 929.3949       151.6089 191.0742 19.96282 194.0963 16.49408 -3.022141      25.89535 
1 1 1 -3  -13 22 o 83.31961 19.60028 179.1476       76.76143 198.6895       138.3614 170.4583       92.26235 87.94093 28.66566 81.03499 22.83924 6.905937       36.65175 
1 1 1 -3  -13 23 o 135.8302 16.84137 461.5919       107.0248 804.2715       375.6185 431.3134       111.6529 161.1676 46.30331 130.6892 18.37681 30.47838       49.81670 
1 1 1 -3  -13 24 o 40.74955 18.47588 -38.78759      77.78632 -1110.500      664.2057 -23.88448      78.32529 84.42014 41.99317 42.70584 19.01487 41.71429       46.09763 
1 1 1 -3  -13 25 o 55.08457 24.82136 -43.83771      137.8580 771.0812       560.7625 -96.25749      142.2228 143.6533 56.22387 51.72151 24.00636 91.93176       61.13452 
1 1 1 -3  -13 26 o 88.33465 22.97215 210.9900       97.91302 344.2984       430.7607 203.7272       100.5449 110.6847 46.93126 86.65353 23.62535 24.03114       52.54237 
1 1 1 -3  -13 27 o 67.68043 27.20093 85.54502       134.5816 -511.2755      265.8745 291.1432       156.0502 53.94664 26.78987 100.2093 30.13442 -46.26262      40.32097 
1 1 1 -3  -13 28 o 56.25093 22.49020 56.16246       91.50777 -168.4778      269.7935 85.36480       97.27393 66.09853 31.41058 61.98410 23.64003 4.114426       39.31253 
1 1 1 -3  -13 29 o 78.63082 23.16658 174.1543       92.97218 472.5745       183.4230 70.97535       107.8538 123.4245 31.10173 60.48008 24.33539 62.94443       39.49087 
1 1 1 -3  -12 1  o 136.0934 9.653512 446.0190       62.40260 360.0190       87.77229 533.9196       88.73683 121.3875 15.47571 148.6204 12.60756 -27.23289      19.96116 
1 1 1 -3  -12 2  o 195.6429 10.11487 919.8457       94.28786 893.8995       134.0766 945.2319       132.6217 192.2840 14.69619 197.8427 14.11392 -5.558746      20.37599 
1 1 1 -3  -12 3  o 346.4379 13.61791 2887.652       225.1113 2665.735       318.7504 3108.473       317.9621 331.5339 20.20606 358.4738 18.61659 -26.93991      27.47476 
1 1 1 -3  -12 4  o 350.2917 9.733799 2943.167       162.8544 2848.867       185.9997 3252.907       337.0990 344.4239 11.31098 366.4998 19.30678 -22.07593      22.37610 
1 1 1 -3  -12 5  o 280.7720 12.02788 1895.898       161.0808 1755.600       228.7242 2033.957       226.8921 269.1646 17.87530 290.0941 16.42670 -20.92950      24.27680 
1 1 1 -3  -12 6  o 144.0771 9.854259 500.0338       67.46909 436.6755       97.75317 557.6746       93.23827 133.7661 15.57646 151.7936 12.97212 -18.02751      20.27072 
1 1 1 -3  -12 7  o 251.9878 11.08257 1527.120       133.1879 1704.325       192.9518 1365.847       184.0741 265.5389 15.26321 237.4191 16.31613 28.11984       22.34238 
1 1 1 -3  -12 8  f 452.8974 9.809884 4920.417       212.4086 4807.002       504.0616 4944.905       234.2197 443.2407 23.87489 453.8555 10.79437 -10.61481      26.20170 
1 1 1 -3  -12 9  o 257.0001 11.69240 1590.594       143.2867 1650.888       207.8091 1535.950       197.8348 260.8386 16.75277 251.6057 16.53821 9.232910       23.54077 
1 1 1 -3  -12 10 o 57.04070 19.09821 74.49117       61.28503 71.41169       83.95796 78.00340       89.66331 60.29757 22.17192 62.59845 22.93027 -2.300880      31.89657 
1 1 1 -3  -12 11 o 234.9154 11.25187 1329.896       126.0028 1480.756       185.0502 1199.490       172.0489 246.9860 15.75356 222.0627 16.31970 24.92334       22.68275 
1 1 1 -3  -12 12 o 314.1045 10.99301 2375.671       164.8273 2455.545       210.4340 2248.875       265.1331 318.6762 13.84507 303.6276 18.35043 15.04861       22.98748 
1 1 1 -3  -12 13 o 124.2097 11.54176 374.5967       67.75455 413.8211       101.4020 342.9599       91.06770 129.5612 16.76309 117.7899 16.63386 11.77132       23.61538 
1 1 1 -3  -12 14 o 91.54698 16.42502 209.3475       69.24698 209.2124       90.70699 209.5362       107.2085 90.62461 21.29818 90.53272 24.27399 0.9188843E-01  32.29302 
1 1 1 -3  -12 15 o 283.8991 9.421779 1938.971       127.7036 1616.471       193.3894 2188.335       170.0532 257.6751 15.77385 301.0808 11.83697 -43.40567      19.72127 
1 1 1 -3  -12 16 o 219.8615 11.74056 1168.708       122.9614 1032.417       179.6431 1288.847       168.6631 204.8462 18.54383 229.9996 15.42779 -25.15335      24.12240 
1 1 1 -3  -12 17 o 345.5738 12.15262 2886.017       200.4668 2584.494       240.9761 3563.621       361.2451 325.8793 15.51163 380.6651 19.91885 -54.78583      25.24621 
1 1 1 -3  -12 18 o 394.7557 15.51356 3794.015       292.2145 3654.437       417.7547 3927.736       408.8952 383.3410 22.89874 398.3340 21.55146 -14.99295      31.44547 
1 1 1 -3  -12 19 o 82.99466 21.63413 176.7174       86.70415 190.6867       118.1943 160.4417       127.5791 86.52872 26.27028 81.58936 27.55689 4.939369       38.07243 
1 1 1 -3  -12 20 o 240.5752 13.25576 1406.944       151.8734 1191.988       232.7548 1566.320       200.4175 217.8530 22.67900 252.6741 16.68414 -34.82114      28.15489 
1 1 1 -3  -12 21 o 471.9987 18.09000 5473.983       407.4582 5113.719       581.9861 5820.345       570.6470 448.5251 27.26933 480.9594 24.90188 -32.43436      36.92858 
1 1 1 -3  -12 22 o 215.4321 12.75861 1128.892       130.8196 998.9296       200.4058 1225.390       172.6871 199.5098 21.34170 223.2970 16.28792 -23.78723      26.84706 
1 1 1 -3  -12 23 o 97.82614 18.65632 243.9385       84.07134 326.0464       152.4786 208.0748       100.7730 110.2533 28.66473 89.23045 23.35476 21.02287       36.97448 
1 1 1 -3  -12 24 o 53.48706 24.18241 -54.64473      132.1321 -64.72602      382.1887 -53.27618      140.8154 90.03152 40.87310 55.52611 25.04732 34.50541       47.93724 
1 1 1 -3  -12 25 o 241.7226 15.61773 1443.184       179.5200 1896.122       437.8451 1351.655       196.8244 260.6031 36.11172 232.7741 17.82179 27.82903       40.27000 
1 1 1 -3  -12 26 o 153.3930 18.08505 594.6427       130.0811 -880.9956      443.8144 733.3230       136.0564 68.11701 33.95496 171.1083 16.85021 -102.9913      37.90605 
1 1 1 -3  -12 27 o 174.7804 20.31485 788.8644       166.5926 -106.5877      451.8376 929.7430       179.2189 89.71639 42.02002 190.0851 20.02124 -100.3688      46.54602 
1 1 1 -3  -12 28 o 95.54083 29.97758 261.6888       152.4126 289.9470       379.4963 256.2543       166.4243 103.7769 44.02826 94.49644 31.46855 9.280479       54.11800 
1 1 1 -3  -12 29 o 75.55138 24.45641 155.4159       100.8081 -253.6705      294.0745 209.8889       107.3101 65.68508 31.63258 86.53542 24.71337 -20.85034      40.14188 
1 1 1 -3  -12 30 o 52.33797 22.20931 26.44719       96.59676 -303.8167      297.7990 65.28199       102.1182 62.76959 30.60106 58.84507 23.67879 3.924522       38.69250 
1 1 1 -3  -11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  -11 2  o 459.7984 7.478103 5060.189       164.3869 5069.150       233.8942 5051.442       231.0876 459.9056 10.63757 459.1138 10.52805 0.7918396      14.96655 
1 1 1 -3  -11 3  o 115.0360 9.680426 319.2461       52.74632 317.0382       73.77869 321.5545       75.43810 114.0932 13.80629 114.8808 14.02566 -0.7876282     19.68077 
1 1 1 -3  -11 4  o 418.5526 9.736266 4197.089       194.8278 4153.955       216.6854 4379.120       445.1298 416.1372 10.90082 425.0475 21.97953 -8.910339      24.53421 
1 1 1 -3  -11 5  o 544.9916 19.24880 7172.401       500.7483 7145.470       708.6527 7199.259       707.6783 541.1458 27.48116 543.2417 27.33583 -2.095886      38.76160 
1 1 1 -3  -11 6  o 226.8463 10.75003 1236.411       116.2552 1243.814       165.7389 1229.242       163.1121 226.9256 15.36745 225.6100 15.21127 1.315598       21.62270 
1 1 1 -3  -11 7  o 86.83746 14.33229 185.9457       57.42794 170.7481       115.1893 190.9726       66.24827 83.89153 26.02121 87.67953 16.40696 -3.788002      30.76185 
1 1 1 -3  -11 8  o 433.7561 8.037217 4505.639       166.6709 4527.227       245.1376 4487.080       227.2893 434.1783 11.82055 432.3812 11.00416 1.797089       16.14983 
1 1 1 -3  -11 9  o 157.6100 10.57845 598.5023       79.24865 741.8987       121.2787 491.6490       104.6910 174.9975 14.62962 142.0355 15.67772 32.96207       21.44333 
1 1 1 -3  -11 10 o 208.5223 10.19355 1045.540       101.3137 1074.848       161.9838 1026.708       129.8462 210.5005 16.22073 206.2137 13.24049 4.286789       20.93855 
1 1 1 -3  -11 11 o 379.1482 10.74808 3453.879       194.6299 3502.227       230.4900 3333.742       363.3292 381.4216 12.65728 369.9756 20.62248 11.44598       24.19697 
1 1 1 -3  -11 12 o 143.3604 13.22590 498.9066       89.62764 649.5815       147.1446 410.0278       113.0116 162.5231 19.31474 128.7208 18.92874 33.80231       27.04360 
1 1 1 -3  -11 13 o 351.6572 9.979133 2971.739       167.6028 2965.907       331.9703 2973.734       194.1659 348.5621 20.00500 351.4570 11.57137 -2.894897      23.11054 
1 1 1 -3  -11 14 o 283.5518 10.31197 1934.659       139.5592 2232.357       247.6146 1796.066       168.9501 302.9089 17.16871 272.6597 12.99815 30.24918       21.53407 
1 1 1 -3  -11 15 o 253.1055 9.917974 1541.901       119.7820 1316.898       183.1817 1709.972       158.3196 232.4113 16.59525 266.0461 12.48193 -33.63481      20.76538 
1 1 1 -3  -11 16 o 192.1350 11.27855 891.9349       103.1463 850.4211       152.3284 927.0865       140.1707 186.2490 17.30514 195.0793 15.14789 -8.830307      22.99840 
1 1 1 -3  -11 17 o 113.0356 19.05179 320.0623       99.30088 547.5271       164.0119 188.4278       124.7680 147.0538 24.16752 86.86672 27.10343 60.18713       36.31342 
1 1 1 -3  -11 18 o 135.2350 13.01077 445.8453       83.08334 237.2992       128.9303 593.9453       108.6505 95.99195 26.97935 155.8789 14.75490 -59.88696      30.75049 
1 1 1 -3  -11 19 o 213.3413 12.17378 1102.347       123.6524 1087.688       186.7286 1113.795       165.0186 210.0416 18.79341 213.3609 16.30085 -3.319305      24.87790 
1 1 1 -3  -11 20 o 259.3405 11.53132 1626.543       142.6167 1718.257       237.5295 1574.842       178.3406 264.0260 18.94342 254.2486 14.73493 9.777451       23.99941 
1 1 1 -3  -11 21 o 135.0856 13.98838 447.4044       89.03514 466.9502       145.6580 435.7448       112.4993 135.1984 23.38058 132.1364 18.29870 3.061951       29.68996 
1 1 1 -3  -11 22 o 120.9667 19.13080 368.1476       106.9636 206.8662       149.7433 536.1757       152.8432 90.75118 29.83569 145.2117 22.76344 -54.46052      37.52790 
1 1 1 -3  -11 23 o 105.5872 17.61078 280.2370       85.76991 226.1321       147.2122 308.0416       105.5319 93.70739 29.47005 109.8656 20.85412 -16.15823      36.10233 
1 1 1 -3  -11 24 o 102.5239 23.74635 274.4895       114.1039 25.61758       163.0448 513.3760       159.7404 67.78851 28.81330 140.7912 24.62827 -73.00269      37.90459 
1 1 1 -3  -11 25 o 71.14928 23.84821 123.6055       95.55805 583.6859       416.7310 98.07172       98.17391 138.4450 49.61202 66.51693 24.04889 71.92803       55.13349 
1 1 1 -3  -11 26 o 103.4757 22.34316 280.3444       107.2929 271.1829       426.8896 280.9621       110.8512 112.6281 47.17765 103.3620 23.02261 9.266075       52.49544 
1 1 1 -3  -11 27 o 126.7539 26.77148 433.1429       157.1395 134.3289       375.0027 496.7873       173.0669 98.89780 42.88555 135.4988 27.65304 -36.60098      51.02805 
1 1 1 -3  -11 28 o 78.38982 29.06028 148.4715       144.7378 71.38332       275.9826 177.7181       169.9909 83.81168 36.56134 84.40778 31.45485 -0.5961075     48.23007 
1 1 1 -3  -11 29 o 61.38201 23.63024 77.42875       97.80556 101.1673       284.7213 74.25280       104.1429 85.19728 37.15124 61.81382 24.21881 23.38346       44.34823 
1 1 1 -3  -11 30 o 49.84814 21.69882 2.320282       96.76778 -200.6508      301.4680 25.63536       102.1745 68.81669 32.84253 53.97695 22.87045 14.83974       40.02111 
1 1 1 -3  -11 31 o 124.3449 21.69377 423.2404       124.2769 484.3984       339.4090 413.7713       133.5516 111.0131 43.65391 121.3415 23.87214 -10.32834      49.75483 
1 1 1 -3  -10 1  o 125.7455 8.222382 380.1244       49.15975 360.4575       65.56181 405.3830       74.30003 122.1081 11.36080 129.4606 12.14634 -7.352425      16.63134 
1 1 1 -3  -10 2  o 74.96289 9.741008 136.8496       34.08588 168.8165       49.41529 107.8339       47.07896 82.92249 12.88263 65.69785 15.27853 17.22465       19.98489 
1 1 1 -3  -10 3  o 207.8796 8.432696 1036.256       83.63426 879.9805       138.0574 1126.856       105.1181 190.7944 15.26228 216.6423 10.17751 -25.84785      18.34445 
1 1 1 -3  -10 4  o 583.3174 9.450379 8149.313       263.5497 6232.864       711.6597 8453.920       283.7224 505.0772 29.60154 594.0523 9.989889 -88.97513      31.24178 
1 1 1 -3  -10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  -10 6  o 273.6361 11.99360 1799.034       156.5219 1647.766       222.7232 1946.644       220.0125 261.0080 17.95801 284.0736 16.26777 -23.06558      24.23077 
1 1 1 -3  -10 7  o 226.1093 11.10854 1228.507       119.7160 1145.190       171.7759 1307.195       166.9358 217.5648 16.64078 232.7605 15.08261 -15.19574      22.45887 
1 1 1 -3  -10 8  o 638.8311 10.57153 9781.499       322.8734 9933.620       346.7738 8790.660       885.0192 643.6630 11.26884 598.8443 31.01794 44.81866       33.00151 
1 1 1 -3  -10 9  o 501.7928 8.091558 6028.896       194.1176 5992.044       284.2330 6061.110       265.7460 499.7826 11.89556 502.7755 11.05565 -2.992828      16.23982 
1 1 1 -3  -10 10 o 518.0830 11.29104 6438.032       279.6673 6272.832       305.6177 7288.742       693.5286 511.1963 12.50496 546.4276 26.62766 -35.23123      29.41779 
1 1 1 -3  -10 11 o 652.1647 8.394261 10188.12       261.7267 9763.369       379.9646 10571.61       361.0355 637.6295 12.46426 663.7496 11.37725 -26.12006      16.87600 
1 1 1 -3  -10 12 o 349.5735 10.51168 2934.491       175.4791 2903.861       207.6811 3010.934       328.0887 347.4115 12.52436 352.1523 19.56423 -4.740814      23.22970 
1 1 1 -3  -10 13 o 335.6857 13.53351 2716.251       216.7507 2731.838       308.7481 2701.103       304.3625 335.2046 19.34796 333.3565 19.17833 1.848114       27.24247 
1 1 1 -3  -10 14 o 291.6328 12.58850 2050.053       175.1034 2037.352       250.3496 2062.217       245.0041 289.4297 18.18427 291.3344 17.67343 -1.904724      25.35780 
1 1 1 -3  -10 15 o 273.9382 11.08611 1806.888       144.8912 1821.481       190.8811 1787.049       222.5621 274.3192 14.60720 271.0388 17.26534 3.280487       22.61553 
1 1 1 -3  -10 16 o 179.2068 11.24328 775.6454       95.84331 948.7552       142.5259 632.7428       129.4950 197.4891 15.21247 160.6233 17.12695 36.86588       22.90746 
1 1 1 -3  -10 17 o 145.5856 13.63334 516.2733       93.78806 511.5135       173.0690 518.2523       111.5946 141.4389 26.56958 145.2811 16.35021 -3.842239      31.19730 
1 1 1 -3  -10 18 o 206.7823 11.83882 1033.917       116.5498 1007.643       176.4254 1054.262       155.2502 202.4961 18.42525 207.9165 15.73515 -5.420425      24.22983 
1 1 1 -3  -10 19 o 382.0615 11.71309 3522.424       213.6978 3689.228       264.3337 3207.727       363.0739 390.1590 14.19473 360.7563 21.14369 29.40277       25.46657 
1 1 1 -3  -10 20 o 177.5284 12.42437 764.7411       104.7853 750.9658       162.4050 774.5657       137.1525 173.9226 19.88867 177.7256 16.32374 -3.803024      25.72982 
1 1 1 -3  -10 21 f 73.82266 21.38653 137.6331       79.82065 93.00095       127.5895 166.3345       102.3158 70.79353 27.05610 81.12254 24.40202 -10.32900      36.43475 
1 1 1 -3  -10 22 o 95.41066 18.29731 230.2504       80.42700 311.8516       136.3860 186.7448       99.58502 109.2221 26.41133 85.20695 23.62461 24.01519       35.43558 
1 1 1 -3  -10 23 o 114.5145 16.98214 327.2920       90.16113 476.4203       160.0106 257.9178       109.1358 135.6487 25.61172 99.79205 23.30013 35.85667       34.62450 
1 1 1 -3  -10 24 o 115.0747 26.11819 346.6784       140.3904 -79.89617      263.5967 515.5939       165.8736 76.06963 34.29589 141.1883 25.51242 -65.11868      42.74450 
1 1 1 -3  -10 25 o 191.0334 15.80997 898.4995       143.1020 301.3082       286.1649 1097.636       165.2474 110.0582 40.85025 210.9983 16.51270 -100.9402      44.06146 
1 1 1 -3  -10 26 o 41.53044 19.18987 -65.39516      89.36833 -569.3260      347.4874 -29.70239      92.47911 65.76073 32.26823 46.18441 20.60630 19.57633       38.28653 
1 1 1 -3  -10 27 o 66.25183 28.56460 14.83171       164.4771 -542.2208      270.7453 340.6625       207.0660 55.36942 27.41528 110.4819 34.97840 -55.11246      44.44194 
1 1 1 -3  -10 28 o 134.5480 23.08475 473.6121       143.1501 382.9222       283.5335 504.6378       165.8385 115.1628 40.96077 137.3768 26.20610 -22.21400      48.62658 
1 1 1 -3  -10 29 o 115.4258 26.91768 368.0309       145.7994 449.7442       299.8076 342.7200       166.8593 119.3201 42.15078 109.5289 30.65949 9.791222       52.12190 
1 1 1 -3  -10 30 o 63.67085 26.86028 46.42435       139.9245 -475.6190      325.5331 164.7328       154.9707 62.82186 30.90694 80.51608 30.02746 -17.69422      43.09162 
1 1 1 -3  -10 31 o 95.90850 30.04687 271.7200       153.1769 254.2299       351.6701 275.8152       170.1673 97.44073 41.88710 96.01048 31.81581 1.430252       52.60014 
1 1 1 -3  -10 32 o 83.53187 30.20039 205.1212       154.8212 357.9482       364.2818 171.4309       171.0370 100.2890 42.86135 79.49243 31.06892 20.79659       52.93745 
1 1 1 -3  -9  1  o 192.6716 7.959953 890.2560       73.16448 860.3658       125.1813 905.7643       90.16882 188.7619 13.97030 194.1911 9.743352 -5.429184      17.03239 
1 1 1 -3  -9  2  o 586.0222 20.21963 8295.539       565.6458 8859.080       800.2296 7732.803       799.6585 602.8494 27.84015 562.3208 29.85182 40.52863       40.81918 
1 1 1 -3  -9  3  o 93.86222 8.387219 212.5989       37.24102 250.5923       54.21181 178.6480       51.24670 101.6178 11.35249 85.33586 12.96869 16.28191       17.23560 
1 1 1 -3  -9  4  o 127.5405 8.328658 391.0623       50.50673 377.1836       76.48993 401.7915       67.25291 124.7218 13.01935 129.0173 11.00828 -4.295578      17.04951 
1 1 1 -3  -9  5  o 451.4243 16.44761 4904.961       354.3802 4825.186       501.5697 4984.482       500.7698 446.1170 23.60054 453.5544 23.17085 -7.437408      33.07376 
1 1 1 -3  -9  6  o 331.5144 9.636273 2634.427       152.5664 2653.948       179.2406 2583.089       290.6740 332.5706 11.28949 327.0184 18.66955 5.552246       21.81753 
1 1 1 -3  -9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  -9  8  o 612.6414 10.66729 8994.251       312.4415 9064.485       336.1058 8547.518       847.6708 614.9160 11.43278 591.4611 30.07605 23.45490       32.17572 
1 1 1 -3  -9  9  o 548.0766 19.52730 7250.867       510.8544 6944.350       723.5154 7555.599       721.4037 533.4443 28.47256 556.9880 27.17295 -23.54370      39.35805 
1 1 1 -3  -9  10 o 813.8337 11.40009 15880.71       443.5601 15184.35       1476.743 15949.77       465.0331 781.8499 39.63623 815.4840 11.92779 -33.63416      41.39207 
1 1 1 -3  -9  11 o 213.7509 10.98839 1098.313       111.9155 1082.840       159.6794 1113.252       156.9021 211.5877 15.90154 214.6323 15.39283 -3.044662      22.13139 
1 1 1 -3  -9  12 o 538.3797 10.45261 6948.991       269.0431 6996.109       693.3968 6940.640       291.9126 535.0793 27.19454 537.9158 11.35090 -2.836426      29.46839 
1 1 1 -3  -9  13 o 409.9895 8.397150 4026.618       164.5936 3831.792       239.2054 4201.804       226.8285 399.2352 12.54797 418.2962 11.35291 -19.06104      16.92158 
1 1 1 -3  -9  14 o 288.9568 10.20787 2005.527       140.7971 1836.268       241.3717 2092.823       173.3437 274.9575 18.46880 294.8674 12.32342 -19.90991      22.20278 
1 1 1 -3  -9  15 o 221.9072 10.86414 1185.272       114.9088 1099.230       174.4778 1251.178       152.7018 212.5331 17.32145 227.4819 14.11017 -14.94888      22.34121 
1 1 1 -3  -9  16 o 462.4282 8.652020 5128.315       191.2803 5170.687       284.2306 5093.240       258.6040 463.2588 12.84571 460.0645 11.76698 3.194305       17.42051 
1 1 1 -3  -9  17 f 119.9870 13.22146 351.1810       74.58835 479.5370       117.5652 264.7090       96.49578 139.4217 18.06166 102.4697 20.41447 36.95203       27.25756 
1 1 1 -3  -9  18 o 69.58192 20.76600 120.0754       74.31683 127.6057       173.3639 118.3801       82.25814 82.61294 31.54682 69.79980 22.03962 12.81313       38.48307 
1 1 1 -3  -9  19 o 233.2001 11.70260 1313.683       130.0556 1265.648       200.4219 1348.622       170.9311 227.0746 18.62510 235.4364 15.26820 -8.361801      24.08344 
1 1 1 -3  -9  20 o 403.4988 15.33912 3954.034       295.3653 4312.929       423.9786 3615.608       411.7108 418.4516 21.26259 382.2936 22.62736 36.15802       31.04988 
1 1 1 -3  -9  21 o 176.4093 14.04219 758.2470       117.4540 835.4511       165.7504 680.3785       166.4621 183.7977 19.14301 164.8840 21.63852 18.91360       28.89084 
1 1 1 -3  -9  22 f 74.96105 22.92595 140.3619       89.79729 240.5406       230.1360 122.3705       97.52800 101.4760 36.80204 71.83416 24.09296 29.64183       43.98705 
1 1 1 -3  -9  23 o 188.4498 16.74746 873.8558       149.3175 784.6655       261.7068 916.9032       181.8148 171.6957 33.08182 191.8905 20.11704 -20.19484      38.71824 
1 1 1 -3  -9  24 o 231.4810 13.49391 1304.447       148.6874 1307.500       230.8354 1302.283       194.3834 228.6996 21.35899 229.7540 17.83612 -1.054352      27.82685 
1 1 1 -3  -9  25 o 271.6353 13.41170 1795.001       173.6335 2034.440       259.4813 1600.854       233.6541 286.7618 19.03450 254.0786 19.38147 32.68315       27.16531 
1 1 1 -3  -9  26 o 127.4261 21.61629 414.9032       126.9871 471.7643       172.9723 348.4289       187.0234 133.5070 27.99549 113.4023 32.70142 20.10468       43.04800 
1 1 1 -3  -9  27 f 178.6232 19.16764 801.6116       161.1299 738.0525       200.6305 917.0912       270.4335 168.1223 25.78236 183.9458 31.90743 -15.82350      41.02212 
1 1 1 -3  -9  28 o 37.08711 18.16833 -200.7476      108.7650 -442.7082      160.4530 4.950299       147.9416 39.12719 19.63736 62.24058 26.96322 -23.11340      33.35627 
1 1 1 -3  -9  29 o 299.2512 15.47086 2215.714       220.5879 2254.571       323.8982 2182.102       301.2486 295.8563 23.08169 292.2403 21.71659 3.616028       31.69187 
1 1 1 -3  -9  30 o 48.87637 22.66205 -83.00085      126.2369 -491.0577      202.6822 175.6139       161.3548 45.05151 22.53202 83.34375 30.72149 -38.29224      38.09858 
1 1 1 -3  -9  31 o 187.7762 20.76411 923.0381       183.2966 535.6166       366.0408 1052.699       211.7593 122.1702 46.02618 199.0575 22.65392 -76.88732      51.29921 
1 1 1 -3  -9  32 f 81.55948 30.28931 180.8006       157.3687 72.21213       352.1748 207.8923       175.9076 85.82402 39.06939 85.95310 32.00404 -0.1290817     50.50422 
1 1 1 -3  -9  33 o 145.0978 26.19075 609.0981       175.0003 323.2986       349.3922 704.8079       202.1904 96.86969 41.69773 153.8828 28.53327 -57.01306      50.52572 
1 1 1 -3  -8  1  f 66.43394 8.612849 107.5480       26.71228 163.7098       38.76986 56.79284       36.85648 81.98859 10.10435 48.41032 14.66400 33.57827       17.80816 
1 1 1 -3  -8  2  o 158.2344 7.678041 601.1224       57.91103 650.2585       74.33190 525.2377       92.37454 164.4084 9.497192 147.2058 13.26783 17.20256       16.31662 
1 1 1 -3  -8  3  o 169.1827 8.028414 687.0907       64.75200 723.4823       83.30119 631.5303       102.9279 173.4102 10.09134 161.5444 13.44889 11.86580       16.81391 
1 1 1 -3  -8  4  o 399.1466 14.82903 3836.273       282.4866 3961.588       399.8797 3711.438       399.1141 404.2273 20.76121 391.0424 21.43030 13.18491       29.83766 
1 1 1 -3  -8  5  o 392.1172 9.189465 3682.962       172.2719 3898.122       394.4467 3632.248       191.5013 401.2447 20.63153 389.1711 10.30160 12.07355       23.06042 
1 1 1 -3  -8  6  o 312.2503 7.144773 2333.315       106.6596 2437.278       155.5700 2241.101       146.5157 318.7806 10.22085 305.6868 10.03895 13.09378       14.32642 
1 1 1 -3  -8  7  o 455.2267 9.641369 4963.362       209.8335 4991.007       231.4170 4835.554       497.5838 456.3999 10.60575 446.6300 23.38436 9.769867       25.67704 
1 1 1 -3  -8  8  o 508.3291 18.25917 6227.238       443.0252 6033.254       627.4888 6420.044       625.5800 498.1295 26.44320 514.1818 25.52807 -16.05225      36.75493 
1 1 1 -3  -8  9  o 223.8680 12.37747 1205.510       131.9589 0.000000       0.000000 1205.510       131.9589 ?        ?        223.8680 12.37747 0.000000       12.37747 
1 1 1 -3  -8  10 o 523.0712 10.59635 6556.285       264.9875 6548.142       289.7286 6597.949       655.3482 522.6208 11.59568 520.8028 26.40645 1.817993       28.84026 
1 1 1 -3  -8  11 o 408.5199 10.08117 3998.500       196.8939 4074.384       224.9169 3749.627       407.3222 412.0873 11.42731 393.3858 21.74220 18.70148       24.56230 
1 1 1 -3  -8  12 o 298.6387 10.27576 2139.777       146.4943 2194.424       181.8312 2038.695       247.2993 302.1538 12.61503 290.3943 17.89956 11.75949       21.89824 
1 1 1 -3  -8  13 o 385.1791 14.80605 3571.475       272.1452 3550.057       386.3319 3592.573       383.4274 382.6223 21.20232 384.9877 20.91034 -2.365448      29.77886 
1 1 1 -3  -8  14 o 99.34690 14.19015 241.9744       65.48574 268.8873       95.89136 218.4533       89.64546 103.7657 20.05509 93.25178 20.65266 10.51389       28.78783 
1 1 1 -3  -8  15 o 409.6591 10.77214 4029.452       210.7930 4214.583       248.5747 3555.487       397.7331 418.6659 12.43261 382.1284 21.86201 36.53754       25.14990 
1 1 1 -3  -8  16 o 149.4564 12.16374 540.3721       86.16326 624.4030       131.4852 477.1282       114.0688 159.7951 17.49667 139.4388 17.49507 20.35623       24.74290 
1 1 1 -3  -8  17 o 282.2124 12.54517 1920.126       168.8396 1620.010       223.1895 2321.656       258.1602 257.9205 18.21724 309.1765 17.53715 -51.25592      25.28675 
1 1 1 -3  -8  18 o 78.63570 22.09370 155.5332       86.47818 109.8515       110.6797 227.1307       138.5626 71.60038 25.57819 94.92589 28.36127 -23.32551      38.19169 
1 1 1 -3  -8  19 o 185.5860 12.46298 833.8705       109.9386 772.9440       165.3948 882.0983       147.1525 176.8936 19.90186 190.0556 16.35379 -13.16196      25.75909 
1 1 1 -3  -8  20 o 68.60645 26.07939 86.50646       118.1395 116.3362       201.9005 70.97569       145.6832 84.84550 33.57426 71.04881 28.38708 13.79670       43.96655 
1 1 1 -3  -8  21 o 238.2039 12.87240 1374.247       146.0496 1347.865       219.2110 1395.305       195.8486 233.8412 19.79375 238.7981 17.27133 -4.956940      26.26958 
1 1 1 -3  -8  22 o 289.0416 12.10246 2020.145       166.8708 2090.476       276.4114 1979.812       209.3189 291.2196 19.97399 285.1277 15.41268 6.091888       25.22917 
1 1 1 -3  -8  23 o 100.9318 19.32844 257.8148       89.87296 300.5882       155.5055 236.3624       110.1278 107.0641 29.45872 95.64780 24.09778 11.41631       38.05941 
1 1 1 -3  -8  24 o 151.6524 14.84611 564.3894       106.2617 480.8194       169.9555 618.0253       136.1564 135.8466 27.11883 157.7113 18.40336 -21.86462      32.77369 
1 1 1 -3  -8  25 o 98.03786 24.98944 250.8007       117.4584 155.2706       156.7737 373.0451       177.3445 83.26287 30.34870 118.0538 31.02255 -34.79092      43.39864 
1 1 1 -3  -8  26 o 105.3219 24.75724 289.5639       122.5435 294.9337       164.8594 282.9333       183.1920 105.4097 30.79287 103.7657 32.90615 1.644058       45.06679 
1 1 1 -3  -8  27 o 324.7282 14.64585 2578.154       226.7900 2607.405       335.9657 2553.667       307.3943 322.1636 21.94372 319.9962 20.19592 2.167389       29.82285 
1 1 1 -3  -8  28 o 186.8203 14.38627 858.6432       127.5044 717.3001       222.5241 927.7321       155.5763 163.4296 29.56805 193.1654 17.02026 -29.73582      34.11684 
1 1 1 -3  -8  29 o 195.3978 14.48804 941.6108       134.3807 796.6423       236.0937 1011.083       163.4384 171.4079 29.89676 201.3035 17.14523 -29.89561      34.46411 
1 1 1 -3  -8  30 o 57.20973 22.24152 59.00592       87.28152 356.3029       205.3802 -6.521657      96.42183 111.3819 34.77703 49.59971 21.62429 61.78215       40.95182 
1 1 1 -3  -8  31 o 126.0660 18.27778 409.1661       106.9522 414.0721       220.3501 407.6541       122.3281 116.5660 35.96149 124.2831 21.35707 -7.717155      41.82526 
1 1 1 -3  -8  32 f 187.0583 15.22030 881.4082       134.9406 505.7528       230.4201 1077.492       166.4742 126.4483 36.24625 205.6018 17.09041 -79.15350      40.07334 
1 1 1 -3  -8  33 o 165.9751 17.20405 712.3586       134.5381 1162.153       333.4243 624.8828       147.0397 187.8898 38.41567 152.9023 20.64136 34.98749       43.60997 
1 1 1 -3  -8  34 o 105.4964 23.25504 316.9530       114.1269 799.3032       341.0533 256.1297       121.1089 138.1277 45.00419 92.68095 26.18305 45.44672       52.06659 
1 1 1 -3  -7  1  o 58.89073 8.389812 84.85165       22.95426 83.06343       32.77898 86.57238       32.15448 57.65337 12.26928 58.94242 11.82222 -1.289055      17.03819 
1 1 1 -3  -7  2  o 190.1522 7.859156 868.4000       71.29328 810.5182       121.4048 898.8667       88.07995 182.7466 14.00228 193.2503 9.563122 -10.50365      16.95633 
1 1 1 -3  -7  3  o 404.4487 9.146918 3925.144       176.8669 3930.931       196.2530 3900.117       408.1261 404.4424 10.15769 399.2218 21.46205 5.220673       23.74444 
1 1 1 -3  -7  4  o 213.9800 10.26316 1101.778       104.6874 1045.771       148.4736 1157.150       147.6308 207.6600 15.05734 218.6588 14.19897 -10.99876      20.69623 
1 1 1 -3  -7  5  o 174.3501 9.510586 731.1290       78.97507 715.8040       112.7657 745.8817       110.6398 171.9155 13.83677 175.6012 13.27717 -3.685623      19.17653 
1 1 1 -3  -7  6  o 320.2693 8.781240 2459.475       134.3289 2456.170       276.0127 2460.500       153.7679 318.4527 18.20493 320.1833 10.05767 -1.730560      20.79847 
1 1 1 -3  -7  7  o 59.41721 10.78867 87.25529       29.51861 86.33258       46.27172 87.88850       38.33159 58.94465 16.00907 59.31340 13.78106 -0.3687477     21.12363 
1 1 1 -3  -7  8  o 222.5823 8.799790 1188.196       93.45760 1237.953       118.5130 1106.367       151.9819 227.0016 10.95247 214.0859 14.94276 12.91570       18.52681 
1 1 1 -3  -7  9  o 433.2140 9.377509 4494.504       194.2220 4224.532       455.9955 4554.335       214.6677 417.4880 22.93399 436.0055 10.29832 -18.51746      25.14007 
1 1 1 -3  -7  10 f 673.2862 23.27766 10970.76       748.1586 10631.30       1058.523 11309.61       1057.589 658.3477 33.74333 679.6238 32.64465 -21.27618      46.94981 
1 1 1 -3  -7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  -7  12 o 284.9015 12.36355 1950.497       168.0008 1862.410       238.6060 2037.097       236.5849 277.5451 18.08048 290.4866 17.11120 -12.94144      24.89371 
1 1 1 -3  -7  13 o 248.4185 11.79043 1483.256       139.6307 1422.425       199.3742 1541.814       195.6147 242.4872 17.31164 252.6742 16.27982 -10.18701      23.76395 
1 1 1 -3  -7  14 o 100.7390 14.14398 248.4922       66.24665 209.0362       99.01156 280.4715       89.13820 91.15928 22.78325 106.4310 18.16983 -15.27171      29.14137 
1 1 1 -3  -7  15 o 352.3268 11.35056 2980.849       190.9433 2957.570       232.3606 3029.259       335.0808 350.5521 13.89192 353.5339 19.90526 -2.981781      24.27354 
1 1 1 -3  -7  16 o 358.4017 14.22832 3094.885       243.3146 3245.070       347.7581 2950.859       340.5526 365.6343 19.96980 348.4625 20.53284 17.17181       28.64246 
1 1 1 -3  -7  17 o 322.8723 10.03558 2503.513       154.7227 2945.324       236.9140 2174.937       204.3104 349.4467 14.21046 300.1888 14.27690 49.25784       20.14367 
1 1 1 -3  -7  18 o 199.0916 12.24866 956.9814       116.0226 851.2157       170.7883 1047.623       158.1060 186.2709 19.46505 207.6311 16.05206 -21.36017      25.23007 
1 1 1 -3  -7  19 f 85.35369 19.08844 183.9706       75.93819 171.4576       128.9420 190.6153       93.96175 84.47095 27.68137 86.65288 22.48839 -2.181931      35.66492 
1 1 1 -3  -7  20 o 292.6019 11.52300 2064.533       160.8797 2114.662       209.6105 1992.670       250.9713 295.2848 14.89597 285.5091 18.48573 9.775696       23.74051 
1 1 1 -3  -7  21 o 81.67857 27.38457 159.0589       125.9983 -82.03714      222.8101 272.4044       152.7714 70.38197 31.64863 102.7330 29.53429 -32.35107      43.28868 
1 1 1 -3  -7  22 o 383.0261 15.31965 3564.626       279.9680 3562.790       402.2284 3566.352       389.9273 379.5464 22.26440 380.1402 21.54333 -0.5938721     30.98094 
1 1 1 -3  -7  23 o 70.12811 21.88963 121.1240       81.37390 124.2639       136.4690 119.3916       101.3657 76.86331 28.26690 71.72537 24.55801 5.137939       37.44481 
1 1 1 -3  -7  24 o 118.3886 21.17784 355.5434       115.4663 298.5750       154.5845 427.4421       173.6637 106.6387 29.38302 127.4847 29.13186 -20.84595      41.37665 
1 1 1 -3  -7  25 o 109.3540 23.29636 308.7001       118.0642 244.5177       157.7649 390.3987       177.9957 97.26658 30.49659 120.9775 30.72239 -23.71088      43.28865 
1 1 1 -3  -7  26 o 192.2284 14.01330 902.8214       127.9007 1130.096       208.7774 766.2820       161.8218 212.5818 20.80852 175.1492 19.66427 37.43256       28.63002 
1 1 1 -3  -7  27 o 268.5671 14.04179 1759.270       179.6687 1891.760       278.6655 1665.010       235.0466 275.0015 21.36275 259.0620 19.11218 15.93945       28.66431 
1 1 1 -3  -7  28 o 99.95580 23.18865 261.1385       108.6640 168.4527       232.4062 287.0697       122.9286 91.61951 36.09399 104.3608 24.97240 -12.74129      43.89073 
1 1 1 -3  -7  29 o 112.3983 20.50714 325.4597       106.1388 343.4112       336.6972 323.4790       111.8411 114.0556 43.86031 111.5884 21.74586 2.467247       48.95517 
1 1 1 -3  -7  30 f 169.3442 16.75895 716.9291       133.9055 503.4595       336.4349 757.1113       145.9652 128.1371 44.69891 173.5695 17.84396 -45.43240      48.12899 
1 1 1 -3  -7  31 o 98.04813 21.07412 253.4419       95.84447 261.9315       189.6835 250.5313       111.0658 97.35012 33.58454 96.36707 24.15616 0.9830475      41.36957 
1 1 1 -3  -7  32 o 49.82338 21.10144 16.90519       86.91679 82.08694       191.5273 0.1978264E-05  97.53886 74.40447 31.40876 50.06896 21.79014 24.33551       38.22722 
1 1 1 -3  -7  33 o 219.5074 14.36848 1208.291       149.9596 1388.755       255.4761 1113.429       185.2266 226.4111 23.96512 207.1963 18.90686 19.21477       30.52534 
1 1 1 -3  -7  34 o 65.06221 23.56098 108.0511       94.27937 215.4023       201.6417 78.01721       106.6555 85.86569 33.68278 61.32611 24.35903 24.53959       41.56792 
1 1 1 -3  -6  1  o 243.6978 8.154505 1425.499       94.87361 1417.534       176.9041 1428.715       112.4058 241.7518 15.38577 243.7710 9.664065 -2.019287      18.16910 
1 1 1 -3  -6  2  o 69.41138 8.428688 117.2442       27.39788 89.44340       37.97998 147.4081       39.56128 59.73383 13.60454 77.54910 10.97699 -17.81527      17.48079 
1 1 1 -3  -6  3  o 190.2023 6.987861 868.0533       63.43507 873.8140       90.95901 862.5984       88.51250 190.4562 10.02477 189.2567 9.815935 1.199493       14.03027 
1 1 1 -3  -6  4  o 222.4670 8.257545 1188.774       87.67394 1198.756       106.7610 1168.098       153.6478 223.1465 10.03290 219.3729 14.73538 3.773529       17.82668 
1 1 1 -3  -6  5  o 147.0310 8.945152 520.6674       62.58138 557.0726       89.40123 485.6885       87.63217 151.5906 12.44516 141.3611 13.11616 10.22946       18.08081 
1 1 1 -3  -6  6  o 425.9250 9.321804 4352.840       189.8198 4429.389       452.1391 4336.461       209.1437 425.3617 22.31138 424.9485 10.29438 0.4132690      24.57177 
1 1 1 -3  -6  7  o 138.7560 9.129069 463.6103       60.22367 466.5121       86.75876 460.9118       83.66381 138.6371 13.25061 137.8588 12.84159 0.7783356      18.45223 
1 1 1 -3  -6  8  o 275.0835 11.62063 1819.330       152.4837 1879.276       216.6642 1760.500       214.6390 278.8170 16.32540 269.7560 16.72517 9.061035       23.37199 
1 1 1 -3  -6  9  o 253.6788 11.20372 1546.066       135.5446 1574.914       192.7295 1517.832       190.6652 255.4033 15.86216 250.6937 15.99152 4.709625       22.52414 
1 1 1 -3  -6  10 o 367.6711 7.562600 3235.469       132.9349 3411.710       192.2330 3073.944       184.0317 377.1703 10.67134 357.9873 10.76491 19.18295       15.15786 
1 1 1 -3  -6  11 o 676.2368 23.31158 11067.67       752.5389 11050.06       1064.798 11085.25       1063.704 671.4371 33.27428 672.5529 33.18403 -1.115784      46.99317 
1 1 1 -3  -6  12 o 210.9545 15.74739 1075.238       157.6742 0.000000       0.000000 1075.238       157.6742 ?        ?        210.9545 15.74739 0.000000       15.74739 
1 1 1 -3  -6  13 o 349.5004 8.926968 2926.985       149.0405 2349.083       214.7271 3464.218       207.0337 312.4350 14.41420 379.9662 11.40985 -67.53122      18.38352 
1 1 1 -3  -6  14 o 277.3519 12.65366 1849.456       167.3440 1435.770       238.7473 2248.987       234.6267 243.0086 20.74813 305.3898 16.12712 -62.38118      26.27868 
1 1 1 -3  -6  15 o 225.2128 12.09315 1220.338       129.7315 865.7771       187.3365 1547.053       179.8297 188.1116 21.19918 253.2643 14.91787 -65.15274      25.92196 
1 1 1 -3  -6  16 o 207.6426 11.75222 1037.819       116.1899 1197.835       171.4525 901.9193       158.0047 222.4716 16.23152 192.6927 17.33642 29.77882       23.74897 
1 1 1 -3  -6  17 o 96.94012 24.36847 237.6622       112.7974 -95.60905      187.3272 427.2298       141.2811 63.61340 28.77396 130.6614 23.47966 -67.04800      37.13805 
1 1 1 -3  -6  18 o 565.4895 19.65753 7762.619       530.6412 8427.680       754.7529 7112.544       746.2003 585.3024 27.04529 536.3292 29.21179 48.97314       39.80925 
1 1 1 -3  -6  19 o 267.0785 11.88200 1718.722       151.3380 2080.199       245.5598 1497.338       192.1721 292.5482 17.63898 248.3629 16.27401 44.18532       23.99952 
1 1 1 -3  -6  20 o 327.6365 13.62143 2593.834       212.8997 2918.395       309.4395 2302.100       293.3737 345.9317 18.78057 306.6655 20.12119 39.26614       27.52403 
1 1 1 -3  -6  21 o 189.5794 13.92170 872.9920       125.3004 1164.086       223.9154 740.2827       151.1882 216.7605 21.90741 173.3880 18.52525 43.37251       28.69006 
1 1 1 -3  -6  22 o 333.4405 10.65110 2678.974       169.5757 3058.065       269.8552 2431.592       217.9933 354.5610 15.96050 316.5967 14.44021 37.96426       21.52341 
1 1 1 -3  -6  23 o 293.1807 13.44797 2083.084       187.9933 1953.918       270.1273 2204.404       261.7938 281.5183 20.20465 299.8817 18.34784 -18.36340      27.29232 
1 1 1 -3  -6  24 f 219.9262 14.32638 1177.710       149.8137 932.6924       265.9030 1291.660       181.3343 189.5399 30.36870 229.6520 16.62849 -40.11217      34.62318 
1 1 1 -3  -6  25 o 210.1510 14.28859 1077.031       142.7048 1488.119       287.6369 942.8061       164.3593 242.5361 25.17181 195.4782 17.78123 47.05794       30.81870 
1 1 1 -3  -6  26 o 58.34968 22.53680 58.72630       89.17336 219.1679       284.4935 41.24574       93.90563 102.5472 40.07268 56.43659 22.70772 46.11059       46.05931 
1 1 1 -3  -6  27 o 47.24623 20.24086 0.7128785      81.59698 142.6179       181.4377 -35.26414      91.35687 84.07063 32.23082 45.44641 20.36416 38.62423       38.12512 
1 1 1 -3  -6  28 o 218.2098 14.32617 1164.837       148.6292 1108.403       252.3380 1194.816       183.9180 207.5458 25.99976 219.7288 17.65621 -12.18300      31.42816 
1 1 1 -3  -6  29 o 113.7010 19.55592 330.1470       102.4721 288.3049       198.8352 345.2792       119.5745 103.5444 34.39417 115.2501 22.50920 -11.70570      41.10502 
1 1 1 -3  -6  30 o 272.1349 14.70715 1823.366       190.6358 1816.871       287.8755 1828.439       254.4141 266.2995 22.83144 269.3047 19.90069 -3.005127      30.28716 
1 1 1 -3  -6  31 f 157.3041 17.78582 624.1843       131.4153 571.2966       213.2934 656.5456       166.8451 142.5473 32.07522 158.9475 22.59137 -16.40027      39.23251 
1 1 1 -3  -6  32 o 209.7959 17.43808 1113.329       173.3259 1657.942       350.9300 937.6093       199.3361 243.2247 30.87364 189.0339 22.49743 54.19077       38.20100 
1 1 1 -3  -6  33 o 197.5374 16.03677 988.1302       150.1503 1379.459       242.9989 746.4384       190.9696 227.6041 22.63089 165.1670 24.96234 62.43713       33.69386 
1 1 1 -3  -6  34 o 99.76286 26.19876 286.7317       126.5347 231.4711       225.5658 312.1061       152.8493 89.89325 35.51388 102.0065 29.60752 -12.11330      46.23679 
1 1 1 -3  -6  35 o 128.4081 22.83207 462.7121       135.0304 648.4658       239.8451 376.5154       163.3833 137.6642 36.02977 109.2120 30.25252 28.45228       47.04635 
1 1 1 -3  -5  1  o 241.8238 8.086693 1402.480       93.36134 1362.810       173.4008 1418.674       110.7909 237.3596 15.36297 243.0614 9.552697 -5.701797      18.09074 
1 1 1 -3  -5  2  o 549.3683 19.34132 7319.152       507.2008 7493.655       717.4014 7144.758       717.1792 552.0231 27.26734 538.6106 27.94681 13.41248       39.04526 
1 1 1 -3  -5  3  o 157.5994 6.955277 596.0070       52.27647 628.3986       75.16500 565.6599       72.75412 161.5402 9.778342 153.2079 9.987152 8.332260       13.97710 
1 1 1 -3  -5  4  o 359.4227 9.089373 3101.509       156.0627 3060.047       175.5101 3258.112       341.0996 356.7912 10.29994 365.5488 19.58919 -8.757599      22.13199 
1 1 1 -3  -5  5  o 181.5361 7.256756 791.0650       62.85469 835.0510       91.45139 751.6835       86.53236 186.1368 10.31697 176.5747 10.29508 9.562103       14.57493 
1 1 1 -3  -5  6  o 247.5475 10.95947 1476.621       129.3834 1505.075       183.5922 1448.546       182.3655 248.9435 15.50265 244.1550 15.70647 4.788452       22.06865 
1 1 1 -3  -5  7  o 424.8339 15.66792 4370.752       317.6832 4499.580       449.7137 4242.430       448.8313 428.3822 22.03219 415.6222 22.67378 12.76001       31.61515 
1 1 1 -3  -5  8  o 163.1231 8.798587 639.9290       68.36385 663.3839       92.27295 611.3874       101.7880 165.7152 11.72238 158.7682 13.53893 6.946915       17.90856 
1 1 1 -3  -5  9  o 338.3246 9.023474 2745.389       145.8236 2571.626       298.1920 2800.005       167.1773 325.4837 19.24872 341.5103 10.25078 -16.02658      21.80807 
1 1 1 -3  -5  10 o 688.6304 10.78793 11370.27       355.1671 11417.99       376.5449 10985.38       1069.295 689.9490 11.41541 667.3385 33.62362 22.61047       35.50858 
1 1 1 -3  -5  11 o 211.2635 8.284925 1070.181       83.51772 1120.853       120.0029 1022.582       116.3076 215.8978 11.66950 206.1678 11.84984 9.730011       16.63117 
1 1 1 -3  -5  12 o 335.5620 9.709526 2699.269       155.6045 2687.461       181.5832 2731.908       301.8932 334.6524 11.36591 336.2876 18.85283 -1.635193      22.01392 
1 1 1 -3  -5  13 o 266.7949 12.07261 1710.267       153.5891 1802.028       219.9830 1622.995       214.5349 273.2129 16.92455 259.1545 17.41646 14.05841       24.28526 
1 1 1 -3  -5  14 o 79.94744 20.48837 160.0685       78.66188 66.74222       98.01608 328.9474       131.8508 62.47212 23.75297 114.3718 24.82700 -51.89968      34.35962 
1 1 1 -3  -5  15 o 565.3884 10.80153 7662.404       291.9715 7485.940       753.6179 7693.569       316.7061 553.6130 28.56986 566.4031 11.69560 -12.79010      30.87108 
1 1 1 -3  -5  16 o 202.5780 12.31202 988.3586       118.6792 739.4332       179.8528 1180.342       157.9480 173.4381 22.19846 221.0742 15.03347 -47.63605      26.81001 
1 1 1 -3  -5  17 o 285.6019 10.93767 1959.255       149.0702 2112.337       259.3290 1883.710       182.1766 295.2897 18.46175 279.6530 13.66728 15.63675       22.97022 
1 1 1 -3  -5  18 o 667.2120 22.87554 10837.75       728.6195 11423.97       1034.147 10259.89       1026.740 679.2681 31.93378 642.5131 33.54104 36.75494       46.31163 
1 1 1 -3  -5  19 o 35.86221 16.66175 -60.66305      68.77065 44.70976       192.8021 -76.02372      73.61269 76.74751 31.89229 35.97683 16.88548 40.77068       36.08652 
1 1 1 -3  -5  20 o 291.3593 10.87334 2042.771       151.1951 2357.252       245.4287 1850.423       191.9424 311.7046 16.52833 276.5432 14.56915 35.16147       22.03284 
1 1 1 -3  -5  21 o 245.5414 12.64092 1456.893       147.8929 1876.249       239.5420 1198.578       188.0034 277.2319 18.17319 221.3992 17.91445 55.83273       25.51848 
1 1 1 -3  -5  22 o 251.1539 12.98827 1526.769       155.4253 1855.157       253.0886 1327.934       196.9359 274.9190 19.37989 232.8827 17.82347 42.03633       26.32975 
1 1 1 -3  -5  23 f 229.8634 13.79875 1282.783       150.9434 1472.736       267.2122 1193.766       182.9236 243.0559 23.27965 220.6817 17.48054 22.37418       29.11205 
1 1 1 -3  -5  24 o 403.2905 9.721983 3912.902       187.4482 4885.799       338.4141 3482.298       225.1408 448.0273 15.82406 379.4894 12.42602 68.53790       20.11982 
1 1 1 -3  -5  25 o 176.3884 18.24181 769.4070       151.6146 824.2991       293.1627 749.3648       177.1439 174.8448 36.26153 172.7888 21.93766 2.055984       42.38113 
1 1 1 -3  -5  26 o 145.1436 19.22164 526.8126       130.1062 393.6924       198.1905 627.6276       172.4741 120.9177 33.25158 156.9703 23.72188 -36.05257      40.84599 
1 1 1 -3  -5  27 o 50.06227 22.62701 -52.79392      115.5763 99.54312       165.2264 -198.7500      161.7289 76.71551 30.36749 50.19601 23.98313 26.51950       38.69593 
1 1 1 -3  -5  28 o 245.6349 13.95460 1472.431       163.2021 1512.167       260.5065 1446.761       209.3844 245.0278 22.48854 241.7352 18.25225 3.292557       28.96341 
1 1 1 -3  -5  29 o 183.6814 17.51722 838.3849       151.9684 744.0955       235.2869 905.8735       199.0589 166.6847 30.65452 188.7540 22.50108 -22.06932      38.02628 
1 1 1 -3  -5  30 o 236.1333 16.39035 1382.046       183.8866 1408.569       327.5920 1369.844       222.1944 228.7112 30.73713 232.9996 20.14430 -4.288406      36.75002 
1 1 1 -3  -5  31 o 114.1272 23.02968 343.4274       121.3188 382.5175       198.2711 320.0333       153.3839 115.8971 33.74469 107.7489 29.09792 8.148277       44.55775 
1 1 1 -3  -5  32 o 193.8104 16.45303 940.9102       151.0119 1385.442       247.5244 677.3538       190.5914 230.9460 22.71161 158.8790 25.98934 72.06703       34.51468 
1 1 1 -3  -5  33 f 166.9142 18.78173 718.4302       147.2795 351.8361       242.5912 932.4250       185.3463 106.6117 37.89136 188.8238 20.87980 -82.21204      43.26339 
1 1 1 -3  -5  34 o 75.55216 28.45256 144.6180       139.8526 115.0130       367.5774 149.6290       151.2259 89.45766 40.40012 77.06563 29.45516 12.39204       49.99776 
1 1 1 -3  -5  35 o 67.74706 28.95664 71.37753       166.2966 118.7366       221.3638 10.02589       251.9520 77.18813 33.20754 71.97847 32.87370 5.209656       46.72709 
1 1 1 -3  -4  1  o 524.6378 9.466543 6595.824       237.4430 6222.874       638.0172 6655.783       255.8186 504.6877 26.53566 526.9191 10.15500 -22.23138      28.41241 
1 1 1 -3  -4  2  o 435.4652 15.91581 4572.204       330.7953 4601.695       467.8904 4542.732       467.7401 434.9937 22.57571 432.1436 22.71938 2.850037       32.02863 
1 1 1 -3  -4  3  o 190.8366 9.671272 875.3317       87.94992 785.9816       124.4420 964.5037       124.3180 180.1553 14.57241 199.9145 13.07895 -19.75922      19.58096 
1 1 1 -3  -4  4  o 349.0697 13.51701 2935.632       225.1540 2932.307       318.6404 2938.947       318.1917 347.4847 19.25565 347.8933 19.20537 -0.4085388     27.19607 
1 1 1 -3  -4  5  o 418.3868 9.095665 4198.366       181.9369 3994.977       427.8855 4243.253       201.0132 404.2275 22.22634 420.4717 9.999524 -16.24423      24.37213 
1 1 1 -3  -4  6  o 191.1119 7.334067 876.6022       66.88583 953.6238       96.20940 804.5542       93.05130 198.9890 10.14650 182.6511 10.70284 16.33781       14.74796 
1 1 1 -3  -4  7  o 241.9582 8.762553 1406.794       101.1956 1390.667       122.7270 1441.048       178.8614 240.2557 10.71153 243.5696 15.43924 -3.313904      18.79114 
1 1 1 -3  -4  8  o 384.3017 14.67597 3572.641       269.1464 3399.361       381.0260 3745.203       380.2363 372.3356 21.49621 391.3574 20.39260 -19.02173      29.63014 
1 1 1 -3  -4  9  o 71.35308 12.27168 125.8871       40.35343 10.07232       68.52328 187.3772       49.92968 45.32840 18.93827 87.42258 12.28455 -42.09417      22.57362 
1 1 1 -3  -4  10 o 610.7818 21.36062 9062.802       622.7865 9038.896       881.4057 9086.638       880.1019 604.9324 30.57533 606.6150 30.44401 -1.682556      43.14729 
1 1 1 -3  -4  11 o 428.7873 9.486476 4405.385       194.4712 4098.347       446.3080 4477.343       216.0609 410.6649 22.82181 432.1658 10.45724 -21.50092      25.10357 
1 1 1 -3  -4  12 f 92.83651 13.61262 211.2184       58.62418 193.6601       88.47932 224.9586       78.27039 87.83172 21.29417 95.15262 17.86136 -7.320900      27.79334 
1 1 1 -3  -4  13 o 648.1615 10.54091 10066.23       326.6402 9256.248       943.9513 10176.42       348.1482 614.7460 32.23037 651.6041 11.17563 -36.85809      34.11292 
1 1 1 -3  -4  14 o 788.3289 27.07064 15110.06       1018.754 14793.97       1442.388 15424.71       1439.090 772.9718 39.15862 789.9589 38.21778 -16.98706      54.71743 
1 1 1 -3  -4  15 o 216.6424 12.18471 1129.261       125.6936 908.9996       186.2081 1313.630       170.3621 193.0265 20.49043 233.2954 15.35965 -40.26892      25.60813 
1 1 1 -3  -4  16 o 159.6965 13.94711 617.1129       105.4174 315.0097       191.4141 748.6319       126.2963 112.3607 33.27637 175.8341 15.17204 -63.47337      36.57195 
1 1 1 -3  -4  17 o 482.9203 10.68252 5591.651       246.6366 5145.666       561.4512 5698.292       274.5446 459.2905 25.67130 487.3444 11.78334 -28.05386      28.24646 
1 1 1 -3  -4  18 o 331.6376 13.80569 2648.619       218.4134 2714.747       315.1004 2587.465       303.0201 334.4719 19.79371 326.5831 19.49623 7.888763       27.78298 
1 1 1 -3  -4  19 o 366.4413 14.49631 3238.837       253.4618 3450.754       365.0250 3041.530       352.2163 376.6494 20.34662 353.3613 20.94278 23.28812       29.19906 
1 1 1 -3  -4  20 o 502.7219 11.20080 6072.873       269.2063 6468.914       636.0362 5986.439       297.1339 512.4218 26.04792 498.8243 12.45937 13.59744       28.87438 
1 1 1 -3  -4  21 o 332.7998 11.41296 2667.256       181.3204 2657.225       328.0178 2671.669       217.5853 329.3182 20.94253 332.5313 13.71582 -3.213104      25.03424 
1 1 1 -3  -4  22 o 237.5087 12.85152 1364.742       145.3858 1567.175       227.4011 1224.793       189.0760 252.8607 18.94842 223.7108 17.82565 29.14987       26.01531 
1 1 1 -3  -4  23 f 340.2542 14.43486 2808.353       234.2808 2919.656       345.8944 2714.011       318.4505 344.1220 21.12619 332.1992 20.14565 11.92282       29.19183 
1 1 1 -3  -4  24 o 252.2301 14.18936 1545.874       170.4172 1687.564       295.3989 1475.192       208.6372 259.7513 24.06060 245.1949 17.92181 14.55647       30.00173 
1 1 1 -3  -4  25 o 242.2946 14.78278 1430.570       170.4262 1219.385       296.4345 1534.838       208.2916 217.6586 29.22466 250.0505 17.53466 -32.39183      34.08145 
1 1 1 -3  -4  26 o 237.7026 13.44531 1374.046       152.1733 1660.082       242.4214 1188.047       195.4857 258.9078 19.73339 219.1547 18.84027 39.75304       27.28301 
1 1 1 -3  -4  27 o 187.6961 14.37491 862.0280       128.0122 939.5861       214.9689 819.4136       159.3456 192.2836 23.89858 181.5589 18.62111 10.72464       30.29667 
1 1 1 -3  -4  28 o 133.9535 22.02870 458.1833       136.1758 565.1199       198.2136 362.5922       187.4040 145.8784 29.43685 115.7093 32.52903 30.16912       43.87102 
1 1 1 -3  -4  29 o 77.86556 30.23225 115.4911       161.0992 -143.1847      336.8846 192.1821       183.4322 81.76546 37.59206 90.29006 32.84009 -8.524597      49.91627 
1 1 1 -3  -4  30 o 248.8451 14.88879 1522.971       176.3219 1631.870       289.0458 1458.432       222.5188 251.9316 24.29918 241.1202 19.46840 10.81139       31.13629 
1 1 1 -3  -4  31 o 188.7158 16.93192 889.5197       151.1426 820.6362       238.1733 935.9621       195.5657 173.8424 29.72421 191.0072 21.80602 -17.16486      36.86504 
1 1 1 -3  -4  32 o 150.1100 19.85279 577.3812       138.9857 687.8373       228.8696 512.8499       174.9358 156.7063 31.64003 137.2238 27.62201 19.48248       42.00080 
1 1 1 -3  -4  33 o 66.96221 27.50250 69.93665       141.1272 -700.5963      353.8184 215.7194       153.8997 60.64600 30.24453 88.55577 30.26147 -27.90977      42.78421 
1 1 1 -3  -4  34 o 188.3398 17.84736 913.4551       158.7857 623.4174       249.8596 1109.943       205.6540 139.2650 36.92995 204.7301 21.32313 -65.46506      42.64384 
1 1 1 -3  -4  35 o 72.43572 30.07831 105.0988       171.3139 -152.3103      225.2262 458.4731       263.8908 60.40357 28.70282 113.6003 39.59015 -53.19673      48.90023 
1 1 1 -3  -4  36 o 156.8880 24.01093 702.4289       174.3771 203.6751       391.1517 826.1381       194.8064 88.03950 40.48763 169.4303 24.78226 -81.39077      47.47008 
1 1 1 -3  -3  1  o 348.7219 6.898940 2910.486       115.0191 2945.777       162.7763 2875.294       162.5470 350.4857 9.723720 346.2520 9.829197 4.233673       13.82620 
1 1 1 -3  -3  2  f 342.1810 8.585059 2806.044       140.3345 2839.356       158.7527 2686.952       300.1671 344.0916 9.659814 333.1955 18.92101 10.89603       21.24421 
1 1 1 -3  -3  3  o 541.0604 7.395398 7008.523       191.3003 6919.885       270.9738 7096.594       270.1072 537.2081 10.55058 544.0501 10.38458 -6.842041      14.80386 
1 1 1 -3  -3  4  o 421.3972 9.300628 4255.878       187.3753 4205.867       206.1851 4493.065       449.0264 418.7913 10.29796 429.9167 21.91870 -11.12534      24.21730 
1 1 1 -3  -3  5  o 401.4501 7.160401 3859.211       137.4287 4002.495       195.1013 3718.103       193.6142 408.4982 9.989912 393.5432 10.29935 14.95502       14.34834 
1 1 1 -3  -3  6  o 346.2657 8.861047 2877.003       146.5703 2782.544       310.7413 2904.032       166.2228 338.1428 19.30182 347.7088 10.00965 -9.565948      21.74289 
1 1 1 -3  -3  7  o 336.8303 13.11404 2738.591       210.7781 2920.769       298.6967 2557.898       297.4776 346.3739 18.10033 323.6739 19.31156 22.69995       26.46806 
1 1 1 -3  -3  8  o 317.3100 8.809728 2418.387       133.5162 2495.894       155.4532 2200.425       260.6873 322.1167 10.10685 300.2853 18.24448 21.83142       20.85688 
1 1 1 -3  -3  9  o 334.1109 9.115781 2681.195       145.4745 2690.379       298.3326 2678.330       166.6273 332.1133 18.86671 333.6819 10.45783 -1.568665      21.57125 
1 1 1 -3  -3  10 o 306.8155 9.041962 2259.581       132.4873 2171.287       256.9464 2291.557       154.6275 298.9091 18.06454 308.7612 10.49027 -9.852112      20.88955 
1 1 1 -3  -3  11 o 32.10632 12.62221 14.07388       28.36986 25.66010       43.27134 5.338861       37.57174 40.63711 15.69815 33.67530 14.04297 6.961811       21.06269 
1 1 1 -3  -3  12 o 172.6133 9.438079 715.9302       77.59086 619.7617       116.2778 793.1238       104.1768 159.8207 15.40873 181.4260 12.07937 -21.60532      19.57907 
1 1 1 -3  -3  13 o 556.2880 19.60810 7468.305       520.6714 7527.253       737.2890 7409.660       735.3956 555.8201 27.83424 551.3933 27.98814 4.426758       39.47253 
1 1 1 -3  -3  14 o 502.0232 18.09099 6074.913       433.4947 6107.373       615.0023 6042.860       611.1243 501.2465 25.74987 498.5936 25.72441 2.652893       36.39781 
1 1 1 -3  -3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  -3  16 o 137.9771 18.17964 466.3655       117.0076 387.8059       188.6354 515.4938       149.1726 123.5842 31.75702 144.3680 22.33302 -20.78379      38.82361 
1 1 1 -3  -3  17 o 483.5905 17.97751 5644.161       414.9149 5316.477       590.5899 5963.520       583.0394 466.6771 26.58036 495.0257 24.71368 -28.34866      36.29437 
1 1 1 -3  -3  18 o 375.5397 15.07886 3398.312       270.1772 3316.825       388.8437 3474.371       375.6731 369.3095 22.12442 378.3647 20.84842 -9.055176      30.39978 
1 1 1 -3  -3  19 o 245.0364 12.72560 1446.818       148.5685 1586.943       224.4562 1337.558       198.2001 255.5657 18.49563 234.6647 17.79913 20.90099       25.66900 
1 1 1 -3  -3  20 o 419.2220 10.12126 4218.046       202.8556 4334.212       326.2253 4144.811       259.0235 423.3481 16.14762 414.8087 13.07754 8.539368       20.77902 
1 1 1 -3  -3  21 o 409.6454 10.26564 4033.180       200.8908 4226.611       323.5461 3911.822       256.2751 417.6817 16.23342 402.6841 13.33008 14.99762       21.00512 
1 1 1 -3  -3  22 o 212.8823 13.62900 1098.373       137.9828 1182.289       206.1457 1030.261       185.7226 219.2554 19.88190 204.7596 19.19577 14.49582       27.63634 
1 1 1 -3  -3  23 o 126.2040 20.47930 399.6074       119.3336 370.2668       167.0849 430.1573       170.4933 119.0880 29.50060 128.7078 28.46358 -9.619820      40.99343 
1 1 1 -3  -3  24 o 98.05675 25.12562 248.3083       118.3115 140.1259       163.8999 366.0096       170.9586 82.62640 30.86728 118.0318 30.18130 -35.40537      43.17059 
1 1 1 -3  -3  25 o 282.4664 13.82731 1937.536       186.1620 2017.551       282.4907 1876.110       247.5094 285.4664 20.84220 276.0937 18.86444 9.372742       28.11164 
1 1 1 -3  -3  26 o 150.2136 17.77772 559.5460       125.1997 1173.258       305.5284 435.6940       137.2527 212.0919 31.05108 130.7448 22.78555 81.34708       38.51430 
1 1 1 -3  -3  27 f 184.1816 14.86982 831.2635       129.8241 871.6240       223.2990 810.6550       159.5627 184.1761 26.08916 180.5773 18.75534 3.598831       32.13110 
1 1 1 -3  -3  28 o 57.51096 23.13419 44.08707       97.43969 -211.0468      199.9503 123.5464       111.5862 57.17689 27.13336 73.11038 25.72480 -15.93349      37.38963 
1 1 1 -3  -3  29 o 82.22848 25.84207 172.2706       113.2166 694.0804       336.6956 105.7482       120.2169 153.8948 43.71804 71.09332 26.45996 82.80148       51.10183 
1 1 1 -3  -3  30 o 160.0116 21.00324 650.4668       156.7987 371.4200       236.9086 867.9882       209.1671 115.5434 37.49881 183.4031 24.46457 -67.85968      44.77360 
1 1 1 -3  -3  31 o 211.7244 16.15427 1113.182       162.2838 1030.948       248.6134 1174.237       214.2167 197.2938 27.07041 214.7010 21.14350 -17.40721      34.34901 
1 1 1 -3  -3  32 f 105.9761 28.81985 310.9154       149.8427 360.9793       347.9236 299.5148       166.0296 113.2623 44.29916 103.4947 31.07413 9.767555       54.11116 
1 1 1 -3  -3  33 o 130.6585 23.16312 454.2883       139.3945 112.7151       226.6899 661.9724       176.7632 82.11388 34.38634 157.5693 24.24020 -75.45544      42.07146 
1 1 1 -3  -3  34 o 57.89415 26.46224 -54.39686      163.6827 -206.3179      209.0768 186.1473       263.0840 56.33764 27.01153 89.00147 37.14076 -32.66383      45.92449 
1 1 1 -3  -3  35 o 46.75092 22.79191 -235.6178      165.2096 -477.0204      368.7563 -174.9951      184.7932 65.71099 32.43621 53.27338 25.50286 12.43761       41.26140 
1 1 1 -3  -3  36 o 34.85093 17.48932 -324.9850      127.1041 -709.8099      220.3743 -133.1574      155.5912 40.99214 20.84635 49.50427 23.61706 -8.512127      31.50136 
1 1 1 -3  -2  1  o 462.0311 8.757061 5113.005       193.4363 4126.889       477.1071 5306.988       211.6085 411.6889 24.34907 470.6430 9.404444 -58.95410      26.10212 
1 1 1 -3  -2  2  o 126.9711 6.879467 386.9751       41.60475 373.3398       59.39531 400.1104       58.29609 124.4063 10.07229 128.8757 9.528903 -4.469345      13.86546 
1 1 1 -3  -2  3  o 165.5307 9.110512 658.3854       71.82103 682.1561       101.7448 634.7772       101.3967 168.0943 12.75572 162.0584 13.20137 6.035904       18.35714 
1 1 1 -3  -2  4  o 261.8598 9.826330 1645.890       122.7997 0.000000       0.000000 1645.890       122.7997 ?        ?        261.8598 9.826330 0.000000       9.826330 
1 1 1 -3  -2  5  o 771.9324 26.38643 14569.44       972.3651 14879.63       1375.384 14259.48       1374.880 771.5129 37.39970 754.4832 38.24066 17.02972       53.48912 
1 1 1 -3  -2  6  o 250.2568 8.449872 1502.664       100.9534 1488.165       185.6949 1508.747       120.2813 247.9122 15.74870 250.5701 10.06108 -2.657867      18.68815 
1 1 1 -3  -2  7  f 196.5932 8.414899 928.4192       78.90781 919.3188       131.5935 933.5284       98.60083 194.7417 14.23234 196.8655 10.51431 -2.123825      17.69493 
1 1 1 -3  -2  8  f 357.9218 13.81110 3096.233       235.8898 3209.451       334.1105 2983.707       333.0889 362.5278 19.34711 349.2432 20.03317 13.28461       27.85029 
1 1 1 -3  -2  9  o 184.6717 8.902791 820.3884       78.37070 886.7414       125.9026 778.4152       100.1360 191.1815 13.86894 179.4516 11.73610 11.72990       18.16821 
1 1 1 -3  -2  10 o 401.3816 9.474578 3866.572       181.8133 3844.531       406.8445 3872.072       203.2363 396.4087 21.54830 401.3280 10.60166 -4.919342      24.01509 
1 1 1 -3  -2  11 o 387.0117 14.73125 3612.732       272.0687 3584.815       385.6758 3640.385       383.8571 383.7106 21.10503 386.7703 20.83600 -3.059692      29.65739 
1 1 1 -3  -2  12 o 442.1353 10.08880 4685.906       213.2568 4670.464       237.3866 4750.489       485.4738 441.1133 11.26557 442.0212 23.05248 -0.9079590     25.65794 
1 1 1 -3  -2  13 o 486.0985 10.03424 5661.489       233.1940 5579.958       571.0641 5677.805       255.4639 479.0858 25.01905 486.6877 10.97920 -7.601959      27.32207 
1 1 1 -3  -2  14 o 235.4323 11.31736 1331.711       127.0124 1260.399       181.8796 1399.590       177.4476 228.3213 16.77928 240.8529 15.49242 -12.53159      22.83767 
1 1 1 -3  -2  15 o 115.1874 15.16439 324.2081       81.48355 227.5132       126.9259 391.9981       106.2750 95.44791 26.74826 126.3405 18.11199 -30.89256      32.30346 
1 1 1 -3  -2  16 o 204.8454 19.43928 1020.834       188.0986 1020.834       188.0986 0.000000       0.000000 204.8454 19.43928 ?        ?        0.000000       19.43928 
1 1 1 -3  -2  17 o 306.2855 14.34591 2258.994       209.4858 1523.455       303.4184 2928.974       289.5811 249.0910 25.85420 348.2791 17.44695 -99.18811      31.19031 
1 1 1 -3  -2  18 o 133.1951 18.52353 436.0552       114.7686 213.4035       150.7577 742.9526       176.9959 93.99048 29.85673 173.8627 21.76942 -79.87224      36.95040 
1 1 1 -3  -2  19 o 315.9740 10.73460 2398.063       161.9252 2481.387       228.5164 2314.034       229.4802 320.7122 14.94477 309.5652 15.55531 11.14694       21.57114 
1 1 1 -3  -2  20 o 457.3625 10.07661 5019.623       220.3349 5545.010       340.4548 4640.979       289.0248 479.3939 14.87251 438.8267 13.79347 40.56720       20.28426 
1 1 1 -3  -2  21 o 395.5204 15.59284 3785.455       294.2730 3955.624       424.4352 3627.933       408.3600 401.8622 22.17753 384.7585 22.29517 17.10367       31.44706 
1 1 1 -3  -2  22 o 113.5532 18.47929 321.2739       96.87489 257.8581       160.5313 357.5950       121.4899 100.8469 30.61554 119.0252 22.16516 -18.17833      37.79690 
1 1 1 -3  -2  23 o 48.81049 20.89140 -0.4913151     86.77708 63.92064       159.8015 -27.42858      103.3414 72.55323 29.46714 49.92887 22.05612 22.62436       36.80740 
1 1 1 -3  -2  24 o 224.9416 13.81898 1229.222       147.8947 1383.843       233.2982 1125.338       191.2291 236.3923 20.85655 213.6845 18.91368 22.70781       28.15534 
1 1 1 -3  -2  25 f 241.7418 13.91700 1420.447       160.1644 1575.177       248.9726 1311.206       209.1976 252.0981 20.84341 230.5185 19.15493 21.57951       28.30828 
1 1 1 -3  -2  26 o 165.6684 18.54430 681.0576       144.3614 810.9362       203.9934 550.7592       204.3227 178.6761 24.52694 144.3652 30.55754 34.31097       39.18333 
1 1 1 -3  -2  27 o 235.0126 15.20238 1351.324       169.8926 939.3372       251.7181 1696.018       230.2443 190.1122 28.57809 262.0031 18.50016 -71.89095      34.04354 
1 1 1 -3  -2  28 o 157.4656 17.15189 615.4376       127.0392 524.3093       216.8703 663.0431       156.7481 138.7212 33.15274 162.2071 20.68247 -23.48584      39.07517 
1 1 1 -3  -2  29 o 140.8919 21.01088 504.1126       137.2064 1125.489       347.1216 389.0536       149.3704 201.6102 37.38950 121.4456 26.47481 80.16467       45.81364 
1 1 1 -3  -2  30 o 200.6808 18.04627 1002.961       171.2945 905.4283       251.7578 1087.031       233.7385 184.6297 29.51509 205.8106 24.21797 -21.18098      38.17919 
1 1 1 -3  -2  31 o 70.86785 28.79439 76.52268       152.6610 331.6321       214.5058 -185.3053      217.3121 108.8028 35.70614 60.85131 28.70004 47.95149       45.81070 
1 1 1 -3  -2  32 o 203.3146 17.62373 1038.813       169.6166 1173.823       356.4927 999.3065       192.8431 199.3474 38.80165 197.5746 20.72376 1.772781       43.98912 
1 1 1 -3  -2  33 o 64.81291 25.12308 83.18580       111.1101 -168.8872      205.9148 186.7264       131.9714 58.94983 27.84385 83.80045 28.02511 -24.85062      39.50553 
1 1 1 -3  -2  34 o 202.0632 23.40492 1094.641       221.9248 2187.066       377.6019 518.1797       274.2984 279.0798 28.70979 124.4070 40.34756 154.6728       49.51947 
1 1 1 -3  -2  35 o 83.95862 28.77733 202.1579       139.1983 10.10464       223.8919 323.1688       177.7214 70.36668 31.67642 101.9946 32.41904 -31.62788      45.32538 
1 1 1 -3  -2  36 o 88.88035 28.98380 242.6351       141.4422 48.40652       230.7769 359.4916       179.0038 71.80807 32.25632 104.8389 32.42438 -33.03079      45.73632 
1 1 1 -3  -2  37 o 69.48220 30.02433 97.95301       182.5141 -0.1465923E-08 230.0138 264.4727       299.9010 66.43376 30.72842 87.21212 38.07746 -20.77836      48.92983 
1 1 1 -3  -1  1  o 578.9971 7.430482 8025.085       205.6846 7973.716       291.1192 8076.288       290.6452 576.7228 10.55833 580.4336 10.47375 -3.710754      14.87205 
1 1 1 -3  -1  2  o 175.1370 7.653034 735.7225       63.92491 699.7990       108.2925 754.9346       79.19488 170.1835 13.41831 177.2643 9.378114 -7.080750      16.37071 
1 1 1 -3  -1  3  o 142.4348 8.670108 487.7000       58.76070 531.9733       83.27253 443.7913       82.92889 148.4432 11.83149 135.3468 12.97460 13.09645       17.55917 
1 1 1 -3  -1  4  o 356.4555 8.795317 3043.860       149.8874 3071.550       169.1577 2942.675       323.3599 357.8350 9.897328 348.4917 19.48580 9.343292       21.85529 
1 1 1 -3  -1  5  o 653.0905 10.37453 10229.56       323.9292 10256.08       343.4761 10016.23       974.1219 653.8055 10.98853 636.5860 32.11091 17.21948       33.93904 
1 1 1 -3  -1  6  o 409.8637 15.30741 4054.392       299.4233 3924.008       423.7229 4184.439       423.1747 401.1068 22.18238 414.5135 21.42639 -13.40677      30.84069 
1 1 1 -3  -1  7  o 174.0359 8.314262 727.7881       68.97839 690.7006       111.4618 750.8078       87.81381 168.7299 13.94170 176.5124 10.45269 -7.782562      17.42497 
1 1 1 -3  -1  8  o 415.7363 9.473785 4150.114       188.2998 4267.654       436.4170 4123.227       208.7284 416.9870 21.96877 414.0326 10.55341 2.954437       24.37214 
1 1 1 -3  -1  9  o 152.6985 9.521767 562.1412       69.16621 560.7872       98.98884 563.4330       96.68349 151.8116 13.78898 152.2423 13.42064 -0.4306946     19.24187 
1 1 1 -3  -1  10 o 335.3813 13.36589 2715.329       213.8820 2645.385       303.1101 2784.691       301.8437 329.2712 19.33992 338.0610 18.74921 -8.789764      26.93632 
1 1 1 -3  -1  11 o 255.7508 9.681520 1571.231       118.1637 1523.928       146.3799 1659.714       200.2016 251.5008 12.21050 261.7629 16.07499 -10.26210      20.18667 
1 1 1 -3  -1  12 f 584.8643 8.052658 8192.184       225.1659 8240.784       323.3405 8146.427       313.7419 586.0206 11.54088 582.7092 11.26191 3.311401       16.12522 
1 1 1 -3  -1  13 o 362.7886 10.26537 3156.573       177.8688 3133.106       207.1244 3222.491       347.1365 361.2173 12.01043 364.9056 19.97426 -3.688263      23.30712 
1 1 1 -3  -1  14 o 38.64374 15.09754 21.38545       40.37455 85.65652       66.94669 -15.35282      50.61517 60.84816 19.94629 35.06462 15.46517 25.78355       25.23938 
1 1 1 -3  -1  15 o 287.2539 12.34741 1982.850       169.1744 2220.434       250.7984 1784.493       229.1606 303.2604 17.37086 271.6972 17.73895 31.56323       24.82775 
1 1 1 -3  -1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  -1  17 o 318.6041 13.99167 2443.104       212.6027 1912.354       278.3061 3186.876       329.4561 280.5508 20.89941 362.9834 19.05133 -82.43268      28.27965 
1 1 1 -3  -1  18 o 202.8417 13.37530 992.6060       128.9848 1028.246       193.9241 964.3294       172.7335 205.3334 20.00788 199.1106 18.35206 6.222809       27.14983 
1 1 1 -3  -1  19 o 282.4227 12.77441 1920.246       172.0375 1681.641       268.0980 2087.276       224.3112 262.4918 21.55302 293.8934 16.02504 -31.40158      26.85767 
1 1 1 -3  -1  20 o 416.7916 10.78036 4173.308       214.6327 4356.543       336.6038 4047.762       278.6234 424.4095 16.62134 409.7090 14.24607 14.70056       21.89108 
1 1 1 -3  -1  21 o 392.2028 15.71791 3722.554       294.1259 3788.824       424.6505 3661.445       407.7762 393.1044 22.69159 386.6465 22.15241 6.457916       31.71179 
1 1 1 -3  -1  22 o 58.50699 22.72905 54.52811       91.09750 -128.0892      159.4739 142.9820       110.9883 54.85576 25.44717 77.61241 25.69381 -22.75665      36.16256 
1 1 1 -3  -1  23 o 130.8041 19.97852 427.4841       120.9811 444.9994       276.7441 423.3459       134.5155 129.5469 40.35721 129.4324 22.55760 0.1145172      46.23364 
1 1 1 -3  -1  24 o 212.1993 15.36212 1098.683       154.7937 1244.503       223.1811 963.5116       214.8776 223.9823 21.09003 196.0025 23.39210 27.97983       31.49571 
1 1 1 -3  -1  25 f 282.6032 15.03117 1944.911       202.3547 1942.988       325.8926 1946.118       258.1481 278.1555 24.76502 281.0151 19.33237 -2.859619      31.41730 
1 1 1 -3  -1  26 f 170.8074 15.80407 716.5710       127.5946 924.7961       210.8209 596.2098       160.2842 191.3846 23.53592 153.5212 22.50616 37.86336       32.56481 
1 1 1 -3  -1  27 o 198.1311 15.25039 962.1865       143.3474 780.9616       226.6056 1083.086       185.0860 173.1453 28.35546 209.0138 18.72012 -35.86848      33.97757 
1 1 1 -3  -1  28 o 83.29671 29.08143 166.5166       142.4264 178.1900       190.1768 151.6068       214.9296 89.22788 33.26633 88.56187 34.76458 0.6660156      48.11679 
1 1 1 -3  -1  29 o 148.4369 18.18731 551.1539       126.3745 639.4329       211.5029 502.1375       157.6009 154.9222 29.63526 139.1089 24.59669 15.81334       38.51293 
1 1 1 -3  -1  30 o 230.4440 15.25727 1305.811       167.1469 1336.350       263.8736 1285.347       216.0090 228.2265 24.57024 226.2965 20.17716 1.930038       31.79331 
1 1 1 -3  -1  31 o 49.75668 23.67459 -168.6421      154.2357 47.01886       211.8406 -411.9243      224.9981 76.26402 32.64163 52.14431 25.66188 24.11971       41.52118 
1 1 1 -3  -1  32 o 140.8860 22.68734 519.2949       147.6244 750.4442       348.2607 468.6637       162.9924 152.8992 44.78038 131.5314 26.82970 21.36783       52.20263 
1 1 1 -3  -1  33 o 150.7244 19.24888 582.6426       135.5455 352.0357       228.4378 707.9514       168.3925 109.2531 36.87439 164.7783 21.91851 -55.52524      42.89687 
1 1 1 -3  -1  34 o 78.41354 32.47324 118.6059       198.9334 -272.7935      361.5427 288.5607       238.2408 73.19097 35.20304 98.73711 37.14627 -25.54614      51.17714 
1 1 1 -3  -1  35 f 97.16020 26.57342 273.5970       126.9712 86.08121       222.5957 364.0345       154.5867 75.98341 32.99438 110.6659 28.90696 -34.68244      43.86618 
1 1 1 -3  -1  36 o 62.68203 28.96858 -45.83796      203.7891 424.4407       367.0947 -255.3304      245.0105 103.2821 43.53506 57.59785 28.00687 45.68427       51.76569 
1 1 1 -3  -1  37 o 121.6268 24.64172 437.3266       138.3719 401.0556       239.6392 455.4684       169.4803 101.1421 37.41150 118.5677 29.90650 -17.42554      47.89591 
1 1 1 -3  0   1  o 223.9189 6.662814 1200.997       71.24813 1252.076       101.0726 1150.545       100.4504 228.4220 9.274515 218.9157 9.621185 9.506271       13.36353 
1 1 1 -3  0   2  o 355.9000 6.945872 3031.635       118.1852 3015.611       167.5806 3047.490       166.7011 354.5935 9.894855 356.4765 9.790628 -1.883057      13.91993 
1 1 1 -3  0   3  o 392.5411 14.69304 3710.008       275.2568 3720.334       389.4327 3699.698       389.1112 391.6656 20.87275 390.5635 20.91513 1.102081       29.54851 
1 1 1 -3  0   4  o 492.5282 9.567285 5814.261       225.2829 5829.263       244.6183 5730.461       578.1447 493.0477 10.37747 484.6093 25.03869 8.438416       27.10402 
1 1 1 -3  0   5  o 417.8223 9.234707 4184.573       184.4689 4156.728       433.3098 4190.737       203.8657 413.2345 22.01219 418.0040 10.20130 -4.769440      24.26114 
1 1 1 -3  0   6  o 506.4793 9.671626 6153.291       234.1907 5923.593       606.7806 6193.497       253.8605 491.0699 25.93718 507.9836 10.45291 -16.91360      27.96427 
1 1 1 -3  0   7  o 57.49075 12.16551 82.50780       32.39315 78.23787       59.44365 84.31139       38.63337 57.71600 18.78748 57.98875 14.07829 -0.2727470     23.47696 
1 1 1 -3  0   8  o 258.7147 11.29677 1613.437       139.3913 1699.571       198.3056 1529.317       195.9732 264.5207 15.75209 250.6936 16.44177 13.82707       22.76972 
1 1 1 -3  0   9  o 411.5613 9.419456 4067.673       185.3398 3795.578       417.5003 4134.457       206.8380 392.8341 22.32186 414.5789 10.44385 -21.74478      24.64425 
1 1 1 -3  0   10 o 317.4213 7.847656 2415.373       119.0925 2342.809       173.1970 2480.452       164.0218 311.8746 11.63628 321.1032 10.69930 -9.228607      15.80753 
1 1 1 -3  0   11 o 161.6824 9.656868 629.2524       74.30604 629.9204       112.3415 628.7329       99.07380 161.0278 14.75643 161.1682 12.96729 -0.1404266     19.64441 
1 1 1 -3  0   12 o 41.98555 16.06542 28.82956       45.02055 6.785555       58.01314 62.20576       71.38379 41.52451 17.39260 56.15607 20.47717 -14.63155      26.86665 
1 1 1 -3  0   13 o 394.9348 15.01181 3753.877       282.9277 3757.644       401.5024 3750.161       398.7522 393.7619 21.40832 393.4005 21.28039 0.3614197      30.18561 
1 1 1 -3  0   14 o 564.0762 19.89946 7682.531       535.8049 7751.316       759.0152 7614.205       756.4761 563.7652 28.25074 558.6804 28.41529 5.084839       40.06911 
1 1 1 -3  0   15 o 122.2427 11.69705 361.5683       67.52802 318.4861       101.7697 395.4574       90.26086 113.3770 19.47681 127.4117 15.11166 -14.03474      24.65174 
1 1 1 -3  0   16 o 291.8566 12.38678 2047.317       172.4438 1846.601       270.1611 2185.320       224.0147 275.7843 20.63985 301.0785 15.61619 -25.29425      25.88183 
1 1 1 -3  0   17 o 289.5637 13.87107 2018.710       191.4686 1895.941       278.3040 2129.042       263.8304 279.2974 20.99594 296.5418 18.70462 -17.24438      28.11925 
1 1 1 -3  0   18 o 371.1721 15.48361 3320.913       274.1581 2731.035       392.2195 3884.468       383.3683 334.3086 24.71469 400.3809 20.09206 -66.07230      31.85132 
1 1 1 -3  0   19 o 408.7204 16.31420 4033.042       318.1464 3709.458       455.8441 4340.354       444.2343 389.4942 24.60550 422.3273 22.07829 -32.83313      33.05876 
1 1 1 -3  0   20 f 390.9446 12.53592 3678.797       234.0011 4116.696       433.2251 3498.415       278.0509 410.6521 22.14834 380.5826 15.31280 30.06955       26.92640 
1 1 1 -3  0   21 o 275.5977 13.53511 1834.623       177.7932 2237.132       265.1080 1505.612       239.6848 303.1341 18.37914 247.9072 20.40331 55.22693       27.46066 
1 1 1 -3  0   22 o 247.1973 13.59034 1478.912       159.9957 1709.531       240.9155 1296.939       214.0038 264.2718 19.19896 229.8635 19.66210 34.40826       27.48087 
1 1 1 -3  0   23 o 185.4893 16.71027 842.5841       146.6001 1006.407       200.8140 655.6512       214.5110 201.4894 21.16197 159.4368 29.21826 42.05263       36.07680 
1 1 1 -3  0   24 o 216.4199 14.06071 1139.089       144.6956 1139.823       220.2834 1138.532       191.9010 213.9545 21.84139 214.9141 18.86818 -0.9595337     28.86269 
1 1 1 -3  0   25 o 56.19981 22.95762 33.02871       97.67100 -30.36029      165.9208 66.64207       120.8231 63.59019 28.02522 65.79616 25.99246 -2.205963      38.22331 
1 1 1 -3  0   26 o 412.4764 12.99741 4124.881       255.9894 4641.193       483.2384 3923.473       301.8167 430.7880 23.55293 400.9401 15.77625 29.84787       28.34838 
1 1 1 -3  0   27 o 88.46611 24.98121 202.8075       110.2710 369.3387       188.4073 116.0389       135.9975 117.1303 32.50230 75.05904 28.10169 42.07130       42.96632 
1 1 1 -3  0   28 o 215.7311 19.50753 1160.998       199.0259 964.7969       336.1205 1266.930       246.9779 185.3468 39.16023 223.4083 23.47357 -38.06151      45.65668 
1 1 1 -3  0   29 f 81.59768 25.80767 169.7646       112.7469 228.5535       189.8165 137.7164       140.1485 95.47564 33.55511 78.35551 28.67343 17.12012       44.13741 
1 1 1 -3  0   30 o 106.4992 27.18695 303.0973       138.8798 38.93715       333.7708 358.4085       152.7289 91.29546 40.00764 115.6043 27.94545 -24.30885      48.80122 
1 1 1 -3  0   31 o 131.9244 27.35909 468.8002       166.8920 276.4919       225.0004 704.0141       248.8375 101.8382 36.45910 158.1859 33.92130 -56.34766      49.79880 
1 1 1 -3  0   32 o 200.4608 18.30615 1014.338       173.5083 1490.263       351.8858 861.4565       199.4388 231.0955 32.76715 181.5400 23.53204 49.55557       40.34158 
1 1 1 -3  0   33 o 100.6040 30.62133 285.9855       160.4506 319.2492       209.4385 238.7254       249.6421 104.9432 35.30738 96.45623 37.58239 8.486946       51.56595 
1 1 1 -3  0   34 o 96.49783 26.77549 263.6184       127.8669 267.4976       213.6283 261.4528       159.6169 95.86623 35.34721 94.89322 30.77853 0.9730148      46.86943 
1 1 1 -3  0   35 o 77.53188 27.47103 165.3728       127.4234 -90.61566      218.9537 296.4735       156.6911 63.13384 29.46530 98.85767 30.29381 -35.72383      42.26014 
1 1 1 -3  0   36 o 55.05741 25.67253 -77.02372      165.6045 -91.00552      218.8243 -58.28164      253.3512 61.90051 29.07163 67.70792 31.63145 -5.807407      42.96171 
1 1 1 -3  0   37 f 59.18506 25.36694 52.47503       128.2657 109.7296       224.5456 24.74481       156.2702 73.23394 32.42391 60.04766 26.78948 13.18628       42.05931 
1 1 1 -3  1   1  o 245.2251 6.749293 1440.369       79.05300 1424.772       111.6624 1456.041       111.9337 243.6435 9.604962 246.3150 9.523151 -2.671463      13.52574 
1 1 1 -3  1   2  o 483.4155 7.248995 5594.518       167.5354 5578.626       236.9606 5610.401       236.9012 482.3683 10.27517 483.7446 10.24337 -1.376221      14.50881 
1 1 1 -3  1   3  o 372.8860 7.086951 3328.737       126.3409 3225.663       178.6083 3431.961       178.7378 366.6339 10.19959 378.2276 9.892996 -11.59369      14.20926 
1 1 1 -3  1   4  o 225.3985 7.106591 1217.636       76.48526 1204.037       108.1659 1231.235       108.1671 223.8319 10.13417 226.3644 10.01973 -2.532455      14.25119 
1 1 1 -3  1   5  o 256.7411 8.616705 1581.690       105.6159 1608.705       194.8461 1570.449       125.6812 257.7646 15.88824 255.6172 10.30535 2.147308       18.93770 
1 1 1 -3  1   6  o 352.1478 13.66648 2992.014       229.6492 3085.752       325.0117 2898.551       324.5347 356.0553 19.16357 344.8570 19.76683 11.19830       27.53125 
1 1 1 -3  1   7  o 135.4811 9.258023 442.6690       59.60569 455.7138       85.03859 430.0705       83.57092 136.8694 13.15766 132.8956 13.33327 3.973831       18.73232 
1 1 1 -3  1   8  o 233.7172 9.001628 1313.353       100.3939 1377.560       173.7749 1281.186       122.9967 238.0798 15.34886 230.4670 11.19639 7.612839       18.99860 
1 1 1 -3  1   9  o 383.9867 9.310915 3540.193       170.9295 3672.753       194.9108 3098.742       355.6891 390.7511 10.44280 355.4791 21.02286 35.27200       23.47366 
1 1 1 -3  1   10 o 109.0279 11.87451 289.2151       60.89692 281.8197       91.72198 295.0447       81.43529 106.2704 18.73765 109.3650 16.05242 -3.094627      24.67346 
1 1 1 -3  1   11 o 605.6570 10.51448 8801.903       304.4548 8911.758       327.7387 8110.138       822.4283 609.2578 11.25170 572.8958 30.13310 36.36194       32.16527 
1 1 1 -3  1   12 o 446.3385 9.849446 4774.811       210.1767 4958.984       236.8426 4092.292       455.9352 454.7309 10.89424 410.0788 23.35212 44.65210       25.76832 
1 1 1 -3  1   13 o 235.1546 10.16377 1327.523       113.9961 1370.119       151.0148 1271.100       173.8070 238.5482 13.29402 229.3670 15.94931 9.181244       20.76322 
1 1 1 -3  1   14 o 555.4588 19.59473 7448.114       519.5396 7663.655       735.9410 7233.974       733.5447 560.8024 27.53305 544.5345 28.27371 16.26794       39.46482 
1 1 1 -3  1   15 o 713.4537 24.60868 12353.46       838.1307 12276.35       1186.307 12430.30       1184.287 705.6655 35.27516 710.2628 34.98389 -4.597229      49.68108 
1 1 1 -3  1   16 f 324.0058 14.58481 2527.602       225.3446 2715.096       315.1977 2331.574       322.2914 334.8480 19.77723 309.7451 21.90516 25.10297       29.51228 
1 1 1 -3  1   17 o 282.9465 14.28840 1928.818       192.6586 1566.885       275.3913 2275.743       269.6212 253.2768 22.99325 306.6371 18.47739 -53.36026      29.49752 
1 1 1 -3  1   18 o 449.6572 12.34200 4857.973       265.0724 4685.215       515.2759 4920.144       309.1103 438.2459 24.69300 452.1313 14.31820 -13.88538      28.54392 
1 1 1 -3  1   19 o 325.0887 14.55657 2548.759       225.6662 2345.620       325.3448 2737.109       313.2774 310.0370 22.09416 335.7295 19.60310 -25.69250      29.53699 
1 1 1 -3  1   20 o 429.5902 12.34487 4441.317       253.2788 4244.752       479.7823 4517.260       298.2191 416.0013 24.22840 432.7191 14.43542 -16.71777      28.20278 
1 1 1 -3  1   21 o 467.0982 13.55794 5263.508       302.4477 5175.568       358.9914 5478.595       561.4324 462.2498 16.26959 471.4589 24.99771 -9.209167      29.82591 
1 1 1 -3  1   22 o 386.4468 12.68089 3604.135       233.9695 3781.378       419.6102 3524.167       281.8509 391.9112 22.48937 381.2390 15.49601 10.67218       27.31114 
1 1 1 -3  1   23 o 375.3938 15.07940 3420.976       270.0815 4061.584       390.7282 2834.851       373.7435 406.6879 20.15862 338.0700 23.26564 68.61792       30.78408 
1 1 1 -3  1   24 o 315.9485 14.16096 2423.846       213.3596 2653.167       311.3759 2220.878       292.9393 328.1276 19.94295 299.8246 20.56074 28.30301       28.64377 
1 1 1 -3  1   25 o 268.2769 14.16555 1750.503       181.0436 1794.820       268.1280 1713.368       245.4420 268.9328 21.02094 263.3422 19.63620 5.590607       28.76561 
1 1 1 -3  1   26 o 239.7973 14.53917 1402.757       165.9002 1231.419       249.2277 1539.083       222.3096 220.8044 23.99450 249.5895 18.76793 -28.78506      30.46263 
1 1 1 -3  1   27 o 256.8347 14.38574 1610.212       175.9362 1907.647       264.3284 1373.633       235.7410 276.9736 20.09842 234.2545 21.28138 42.71906       29.27189 
1 1 1 -3  1   28 o 176.5371 16.24842 770.0093       135.5999 1331.997       215.9762 404.3317       174.2174 230.9683 19.74823 122.5586 29.98344 108.4097       35.90264 
1 1 1 -3  1   29 o 116.2296 33.35146 371.1574       194.9884 369.0621       328.7475 372.2946       242.1885 117.8438 43.77589 116.0933 37.93095 1.750534       57.92310 
1 1 1 -3  1   30 o 138.4277 20.55097 487.9630       131.8857 492.2643       217.5580 485.4639       165.8303 132.8701 34.08481 135.4718 26.55368 -2.601669      43.20731 
1 1 1 -3  1   31 o 239.9099 17.44167 1437.234       198.6864 1665.973       283.3335 1215.924       278.6940 254.0351 23.59882 213.6192 27.95885 40.41586       36.58690 
1 1 1 -3  1   32 o 132.1763 25.12071 467.9548       152.9413 153.5214       345.1299 544.7899       170.6074 96.57722 41.50555 142.3298 26.03123 -45.75258      48.99323 
1 1 1 -3  1   33 o 84.68449 30.89545 183.4631       162.5277 -86.60966      208.8699 597.9583       258.7589 64.27415 29.56851 139.7363 37.81832 -75.46215      48.00544 
1 1 1 -3  1   34 o 57.10476 25.45071 -15.78977      140.6701 351.7192       365.2972 -79.77608      152.4249 106.1883 43.99253 54.02919 24.99910 52.15916       50.59939 
1 1 1 -3  1   35 o 155.9109 26.04056 689.0024       187.2631 817.8812       254.7052 537.3801       276.2669 161.5226 34.05782 122.1150 40.54110 39.40754       52.94823 
1 1 1 -3  1   36 o 77.30129 28.30548 170.8834       136.6077 87.46400       237.1107 212.3305       167.1340 75.12544 33.28714 83.80089 31.19707 -8.675446      45.62117 
1 1 1 -3  1   37 o 163.1595 24.53011 782.0571       185.4299 1483.548       428.5126 620.4353       205.6850 178.0641 48.86477 135.8008 32.17683 42.26326       58.50738 
1 1 1 -3  2   1  o 278.8625 6.810690 1861.667       90.80077 1884.454       128.1675 1838.706       128.6573 280.1985 9.581710 276.7538 9.738899 3.444763       13.66219 
1 1 1 -3  2   2  o 100.8461 7.182466 244.7531       34.40242 252.0360       47.65163 236.8245       49.71891 102.0414 9.891638 98.77525 10.69909 3.266174       14.57103 
1 1 1 -3  2   3  o 594.7504 9.903032 8485.336       281.5862 7978.857       800.3862 8556.879       300.8173 568.2255 29.56424 597.1144 10.53748 -28.88892      31.38603 
1 1 1 -3  2   4  o 82.19732 8.475760 163.6689       32.83068 109.7052       46.00051 219.6941       46.87092 66.16637 14.90121 95.09357 10.48341 -28.92719      18.21944 
1 1 1 -3  2   5  o 385.9044 9.051865 3572.921       167.0038 3325.568       367.1905 3637.432       187.5212 368.8483 20.90823 389.0721 10.08971 -20.22379      23.21544 
1 1 1 -3  2   6  o 186.7255 9.831311 839.8113       87.45617 904.0420       123.9195 776.0712       123.4453 193.1251 13.50637 178.6514 14.57973 14.47372       19.87437 
1 1 1 -3  2   7  o 105.8771 9.453125 271.3686       47.34762 237.8876       67.10761 304.5558       66.81266 98.13176 14.76061 111.6822 12.74077 -13.55046      19.49879 
1 1 1 -3  2   8  o 404.7168 9.701664 3934.530       187.7180 3919.663       210.3473 3992.687       416.0350 403.5475 10.91271 403.2816 21.65754 0.2659607      24.25152 
1 1 1 -3  2   9  o 302.3965 7.721205 2193.284       111.5359 2183.715       154.2202 2203.778       161.5029 301.2655 10.72450 302.5626 11.18420 -1.297089      15.49520 
1 1 1 -3  2   10 o 227.6746 9.564754 1245.511       103.8791 1272.173       133.1058 1203.973       166.1403 229.7418 12.16182 222.8635 15.69327 6.878342       19.85418 
1 1 1 -3  2   11 o 691.8436 23.94224 11651.36       790.7260 11704.02       1118.308 11598.70       1118.203 687.0680 34.15207 683.8484 34.31167 3.219543       48.41130 
1 1 1 -3  2   12 o 229.8225 9.972267 1268.085       109.3100 1308.917       142.5197 1209.747       170.3526 233.1739 12.83408 223.6829 16.03611 9.491013       20.53948 
1 1 1 -3  2   13 o 196.1960 10.65777 925.2480       99.59357 1115.867       148.7100 770.2174       134.1116 215.0498 14.54981 178.2895 15.90043 36.76030       21.55274 
1 1 1 -3  2   14 o 291.5392 10.19404 2039.093       141.8675 1964.575       244.0769 2077.113       174.3420 285.0615 18.00127 293.9922 12.43195 -8.930786      21.87691 
1 1 1 -3  2   15 o 222.4843 11.40964 1190.044       120.9559 1285.440       172.7816 1098.364       169.3838 230.6763 15.76172 212.9906 16.76941 17.68570       23.01402 
1 1 1 -3  2   16 o 429.4569 11.52314 4426.758       236.3776 4378.996       271.9636 4574.281       477.9692 426.8365 13.34365 433.9227 23.12332 -7.086212      26.69721 
1 1 1 -3  2   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  2   18 o 311.3681 14.44227 2336.978       214.4041 1696.384       307.7295 2941.299       298.8902 262.8795 24.77747 348.6333 17.99311 -85.75385      30.62148 
1 1 1 -3  2   19 o 568.3175 20.50969 7843.501       556.3468 7726.945       789.1829 7958.656       784.4250 559.3578 29.61625 568.0897 28.97766 -8.731873      41.43462 
1 1 1 -3  2   20 o 274.8344 13.89810 1824.527       182.0216 1848.386       265.5456 1803.381       249.9927 275.0196 20.34002 271.9137 19.35696 3.105927       28.07861 
1 1 1 -3  2   21 f 261.2197 13.90281 1650.780       173.0015 1728.849       252.1807 1581.375       237.7764 265.6840 20.00039 254.1215 19.72563 11.56245       28.09121 
1 1 1 -3  2   22 o 318.1733 14.48516 2453.170       219.7632 2595.387       319.6978 2325.764       302.5912 325.0365 20.68033 307.6182 20.69524 17.41824       29.25695 
1 1 1 -3  2   23 o 212.8701 15.89025 1106.580       160.5495 1247.851       281.9801 1038.815       195.2955 221.8710 27.14827 204.8785 20.20080 16.99248       33.83934 
1 1 1 -3  2   24 f 144.1781 20.49452 520.9117       137.2940 360.3057       285.8105 569.0891       156.5375 118.5855 41.20924 150.1447 22.49933 -31.55910      46.95126 
1 1 1 -3  2   25 o 359.4994 13.67580 3137.467       234.6209 3690.507       397.7479 2842.350       290.5537 385.5848 21.66356 340.2746 17.92350 45.31018       28.11693 
1 1 1 -3  2   26 o 68.16592 25.15399 96.44895       108.2210 -61.52096      179.0486 187.3784       135.8426 63.22601 28.40581 86.62289 28.41389 -23.39688      40.17760 
1 1 1 -3  2   27 o 269.6629 15.30400 1780.657       196.4935 1982.130       286.9453 1602.767       269.6297 281.3827 21.49277 252.2730 22.59472 29.10971       31.18430 
1 1 1 -3  2   28 o 149.5097 21.70819 569.2861       150.6360 922.5053       331.6792 477.4975       169.0793 180.2591 39.57376 134.4082 27.24606 45.85094       48.04613 
1 1 1 -3  2   29 o 326.1418 14.89560 2607.337       231.6460 3404.361       368.9990 2088.937       297.5926 368.3370 21.04176 287.7744 21.79223 80.56259       30.29286 
1 1 1 -3  2   30 o 168.1212 18.58166 709.4593       146.8640 291.5692       237.0886 969.6489       187.0789 105.1325 37.44938 196.0068 20.25536 -90.87428      42.57623 
1 1 1 -3  2   31 o 186.7586 25.91032 922.1245       225.1225 1105.937       396.6161 834.7556       273.4396 188.2347 44.73480 171.4381 34.55641 16.79659       56.52740 
1 1 1 -3  2   32 o 133.9065 23.19719 474.0615       143.1292 659.4997       248.5027 382.0068       175.0872 150.0296 35.24761 115.9565 30.98977 34.07308       46.93357 
1 1 1 -3  2   33 o 82.51035 31.08192 167.2769       166.9218 76.71551       221.2426 286.9474       254.3259 78.11958 33.39507 101.0059 38.29488 -22.88636      50.81071 
1 1 1 -3  2   34 o 137.4620 25.90598 527.2996       164.0083 475.9088       392.6090 538.1633       180.5132 114.4896 46.30110 136.8717 28.51275 -22.38214      54.37618 
1 1 1 -3  2   35 o 69.17241 29.76402 67.88645       177.8912 340.0844       234.9505 -297.7787      272.3177 100.7538 37.08311 60.15742 29.31316 40.59637       47.26963 
1 1 1 -3  2   36 o 54.77649 24.71698 -14.63168      137.2511 -199.8818      240.7658 74.55035       167.0530 58.85521 28.41291 67.25526 28.88975 -8.400051      40.52050 
1 1 1 -3  2   37 o 69.33029 32.07633 36.15350       250.8709 -78.86506      446.2443 89.30290       303.3458 75.58414 36.97969 75.32805 34.99633 0.2560959      50.91405 
1 1 1 -3  3   1  o 203.8779 5.492705 995.6085       53.48955 996.0314       92.67564 995.3973       65.50079 203.5101 9.551788 203.7538 6.733321 -0.2437286     11.68650 
1 1 1 -3  3   2  o 406.6028 8.899599 3965.984       173.0012 3688.335       398.6920 4030.389       192.0208 388.2363 21.56466 409.7372 9.802448 -21.50092      23.68803 
1 1 1 -3  3   3  o 266.6460 8.282338 1706.865       105.4556 1593.934       198.0800 1751.534       124.5783 256.0975 16.26208 269.9091 9.669832 -13.81161      18.91985 
1 1 1 -3  3   4  o 188.5698 9.721213 856.3248       87.34387 862.7894       123.0728 849.7648       123.9779 188.5928 13.74422 187.1135 13.95956 1.479340       19.59012 
1 1 1 -3  3   5  o 86.47061 9.695514 181.8488       39.39237 210.5904       52.28754 144.1232       59.90455 92.73790 12.08006 75.61349 16.98686 17.12441       20.84422 
1 1 1 -3  3   6  o 276.4268 8.584174 1835.479       113.3079 1955.598       135.1299 1551.019       207.9486 285.1066 9.928857 252.1454 17.35618 32.96124       19.99548 
1 1 1 -3  3   7  o 289.8927 9.194611 2019.480       127.2710 1932.807       148.9750 2253.637       244.8641 283.2704 11.02131 304.4051 16.89162 -21.13461      20.16918 
1 1 1 -3  3   8  o 276.7888 9.075020 1840.048       119.9270 1726.599       215.1947 1891.156       144.4356 266.5275 16.97635 280.3379 10.79685 -13.81036      20.11886 
1 1 1 -3  3   9  o 211.4141 9.109922 1073.685       91.86216 897.9456       142.8415 1197.631       119.9593 192.3215 15.67096 223.0248 11.28722 -30.70325      19.31269 
1 1 1 -3  3   10 o 349.2234 9.800171 2926.106       163.4616 2894.813       188.7251 3020.082       327.0482 347.1251 11.38737 352.8993 19.45974 -5.774170      22.54670 
1 1 1 -3  3   11 o 117.9411 13.04689 337.9875       72.33801 389.9441       103.8199 288.9633       100.8476 126.0123 17.72193 107.6586 20.33851 18.35369       26.97632 
1 1 1 -3  3   12 o 483.5066 10.57310 5602.870       244.4066 5565.267       269.8327 5774.664       576.7469 481.7391 11.71586 487.4145 24.83202 -5.675385      27.45707 
1 1 1 -3  3   13 o 547.5525 19.45497 7238.326       508.4800 7056.689       719.1113 7419.951       719.0872 537.7688 28.06713 551.7536 27.34534 -13.98480      39.18585 
1 1 1 -3  3   14 o 164.9827 11.18362 655.5729       87.69097 720.3262       124.7439 592.3136       123.2963 172.4447 15.28905 156.0046 16.79549 16.44011       22.71219 
1 1 1 -3  3   15 o 137.7548 13.63212 460.1215       88.60376 550.0585       147.7842 409.6508       110.7078 149.4003 21.29222 129.0883 18.46364 20.31204       28.18270 
1 1 1 -3  3   16 o 303.9555 14.23484 2225.216       206.2828 2223.818       293.7799 2226.575       289.7183 302.6640 20.42222 302.9205 20.11903 -0.2564392     28.66780 
1 1 1 -3  3   17 f 146.7263 26.60534 540.4096       179.7610 540.4096       179.7610 0.000000       0.000000 146.7263 26.60534 ?        ?        0.000000       26.60534 
1 1 1 -3  3   18 o 304.3549 14.63079 2234.702       212.2671 1817.479       305.7152 2623.074       294.9558 272.2924 23.72058 328.8513 18.83953 -56.55896      30.29181 
1 1 1 -3  3   19 o 128.4105 20.59322 410.0571       122.1531 402.0972       201.4253 414.6874       153.6273 124.8768 33.17802 127.8912 26.01244 -3.014450      42.15955 
1 1 1 -3  3   20 o 511.3991 10.60201 6283.068       259.2128 6211.345       385.1701 6342.442       350.4493 506.6459 15.92132 512.5638 14.31510 -5.917908      21.41053 
1 1 1 -3  3   21 o 356.3821 14.03032 3071.453       238.5847 3269.262       327.7631 2848.514       347.9613 366.0434 18.79209 340.5443 21.48165 25.49911       28.54127 
1 1 1 -3  3   22 o 400.0834 13.50791 3872.325       258.0024 4462.264       343.6390 3110.146       390.5958 428.1312 16.82144 354.3666 23.18236 73.76459       28.64233 
1 1 1 -3  3   23 o 377.9845 14.06736 3465.861       253.7678 3848.261       345.0815 3015.524       374.4825 396.3648 18.25940 348.5135 22.59702 47.85132       29.05221 
1 1 1 -3  3   24 o 92.41579 24.66505 220.7635       111.0059 72.86002       180.1557 311.2838       140.9392 76.34159 31.18175 109.1258 27.13023 -32.78420      41.33220 
1 1 1 -3  3   25 o 278.6837 14.53405 1892.387       192.9758 2215.766       288.6930 1631.183       259.4597 298.9906 20.31692 255.8308 21.40949 43.15982       29.51514 
1 1 1 -3  3   26 o 164.4134 21.18964 680.7140       162.6905 865.7548       216.0603 438.4194       247.2367 183.9168 25.23707 126.1753 37.92758 57.74152       45.55668 
1 1 1 -3  3   27 o 297.1531 15.19414 2162.416       215.1397 2222.945       322.1232 2113.675       289.0619 296.8889 22.87061 290.6873 20.94000 6.201630       31.00884 
1 1 1 -3  3   28 o 166.8124 18.14870 695.1437       142.4073 857.5255       232.7515 597.9840       180.0392 180.6640 27.84016 151.3094 25.81359 29.35458       37.96598 
1 1 1 -3  3   29 o 60.23166 28.25056 -168.2979      205.4678 225.1841       349.9567 -375.2896      253.8215 105.8885 43.37910 58.73296 28.54673 47.15554       51.92940 
1 1 1 -3  3   30 o 235.4860 16.20513 1372.961       181.3301 1450.877       283.5351 1319.038       235.8724 236.3079 25.50023 227.5717 21.95167 8.736191       33.64725 
1 1 1 -3  3   31 o 99.24744 32.59816 272.6709       178.7729 403.3268       239.5889 108.5507       268.5240 116.9787 37.68921 87.17059 37.01137 29.80808       52.82346 
1 1 1 -3  3   32 o 290.8557 16.59361 2118.072       229.7846 1927.997       353.3581 2257.344       302.4726 266.5200 28.15688 295.8027 21.53579 -29.28268      35.44856 
1 1 1 -3  3   33 f 162.2329 22.48673 695.7365       169.7274 912.4717       421.1046 653.6984       185.4586 156.9799 49.90364 154.8130 25.97631 2.166809       56.25959 
1 1 1 -3  3   34 o 118.7524 26.24168 400.9144       145.0119 458.5177       263.1440 375.7921       173.7800 115.7355 39.56964 111.1914 31.34732 4.544144       50.48179 
1 1 1 -3  3   35 o 110.5029 27.72237 364.0121       146.1933 417.5758       265.1116 340.6068       175.2468 107.4248 39.41618 103.3546 32.10179 4.070190       50.83463 
1 1 1 -3  3   36 o 100.2591 34.68401 355.1821       202.3608 357.6223       279.0411 352.4750       293.8994 96.63601 39.05096 95.82552 39.55679 0.8104935      55.58522 
1 1 1 -3  3   37 o 50.89639 24.42778 -130.2632      171.9790 -338.2426      472.6403 -98.52439      184.6357 69.77962 34.82402 54.42476 25.89773 15.35487       43.39822 
1 1 1 -3  4   1  o 398.7146 7.174457 3810.727       136.7601 0.000000       0.000000 3810.727       136.7601 ?        ?        398.7146 7.174457 0.000000       7.174457 
1 1 1 -3  4   2  o 441.6158 9.082811 4682.549       191.7667 4767.908       210.4429 4264.664       465.6264 445.4428 9.881750 415.6570 23.52724 29.78586       25.51823 
1 1 1 -3  4   3  o 72.87815 8.638407 129.2258       29.51347 136.2133       40.76866 121.5316       42.78070 74.30733 11.87551 69.84625 13.29695 4.461082       17.82797 
1 1 1 -3  4   4  o 162.5677 8.039247 635.3981       62.28864 649.7514       78.39532 610.8217       102.5826 164.1380 10.03817 158.5165 13.66942 5.621414       16.95930 
1 1 1 -3  4   5  o 369.0993 14.22643 3293.585       250.5726 3420.274       353.9454 3166.297       354.7825 374.1707 19.85710 359.6266 20.72264 14.54416       28.70074 
1 1 1 -3  4   6  o 171.3808 8.422869 706.0190       68.80152 765.8983       88.35701 613.7903       109.6568 178.2655 10.41262 158.8330 14.60400 19.43256       17.93599 
1 1 1 -3  4   7  o 146.9944 9.373046 520.3640       65.52718 534.6846       92.52338 505.9528       92.81615 148.4856 13.16989 144.3374 13.61115 4.148209       18.93962 
1 1 1 -3  4   8  o 275.0092 11.85050 1819.680       155.4432 1848.558       219.3588 1790.552       220.3041 276.3161 16.68277 271.8567 17.03582 4.459442       23.84395 
1 1 1 -3  4   9  o 115.2722 10.83206 321.4749       58.99624 390.5455       91.47623 272.2857       77.19624 126.4718 15.44918 105.2061 15.83859 21.26572       22.12550 
1 1 1 -3  4   10 o 137.7641 10.17608 457.3134       66.55005 472.4081       94.91045 442.7139       93.34113 139.4825 14.44132 134.9395 14.70626 4.542938       20.61131 
1 1 1 -3  4   11 o 427.2437 15.89755 4395.129       324.1576 4461.417       458.0005 4328.593       458.8567 428.9430 22.41130 422.3857 22.80727 6.557281       31.97559 
1 1 1 -3  4   12 o 569.7367 8.235771 7771.616       224.3297 7643.787       315.1470 7902.916       319.3960 564.5830 11.67554 574.0790 11.63723 -9.496033      16.48464 
1 1 1 -3  4   13 o 602.4412 21.13361 8779.229       607.7479 8875.621       859.1943 8682.708       859.7766 602.1974 29.93698 595.4318 30.30230 6.765686       42.59638 
1 1 1 -3  4   14 o 223.7570 11.51607 1203.963       122.7795 1196.619       172.8914 1211.435       174.3910 222.3993 16.37525 223.7727 16.41501 -1.373398      23.18623 
1 1 1 -3  4   15 o 259.2636 10.49089 1614.105       129.7670 1718.099       182.5980 1507.988       184.4527 266.9836 14.35832 249.8963 15.51544 17.08730       21.13978 
1 1 1 -3  4   16 o 194.2711 14.48171 912.5300       133.5368 721.4325       190.6930 1096.412       187.0584 170.7358 24.02514 212.3255 18.61566 -41.58968      30.39326 
1 1 1 -3  4   17 o 412.2334 13.74195 4090.826       270.4535 4143.183       335.8607 3994.258       456.1317 414.1018 17.00076 404.5571 23.68679 9.544678       29.15630 
1 1 1 -3  4   18 o 377.6270 15.83068 3445.763       285.1719 3257.442       402.0500 3636.432       404.5497 364.9101 23.16506 386.0490 22.01022 -21.13889      31.95418 
1 1 1 -3  4   19 o 216.4683 17.08659 1140.830       175.3978 790.1863       283.7316 1357.707       223.1426 174.5042 35.22438 235.5159 20.00690 -61.01180      40.50967 
1 1 1 -3  4   20 o 308.8678 11.82323 2299.419       174.2667 2200.642       248.2999 2395.307       244.6416 300.7215 17.34403 314.0847 16.34830 -13.36325      23.83448 
1 1 1 -3  4   21 f 158.6431 20.58739 625.5192       152.4670 791.5891       190.1972 326.9226       255.0357 178.0302 22.87403 114.5588 38.95961 63.47141       45.17823 
1 1 1 -3  4   22 f 306.9917 14.31332 2287.607       209.4972 2361.082       314.5091 2229.003       280.8820 309.0266 21.42027 301.0245 19.62401 8.002106       29.05047 
1 1 1 -3  4   23 o 124.1507 20.65727 388.9660       118.3047 311.2005       183.9481 443.8227       154.4957 108.8821 32.71170 131.2081 25.54824 -22.32599      41.50624 
1 1 1 -3  4   24 o 360.0154 15.17468 3158.622       260.5998 3821.428       379.6707 2568.196       358.3410 393.1699 20.26686 320.2229 23.57166 72.94705       31.08647 
1 1 1 -3  4   25 o 70.68974 25.69941 107.9782       112.3168 118.0634       187.7059 102.3534       140.1817 82.09697 32.40826 73.70023 28.31123 8.396744       43.03279 
1 1 1 -3  4   26 o 152.3190 23.05481 592.2730       162.6446 716.1912       213.5370 421.0492       251.0080 165.5052 27.98337 123.4631 38.43065 42.04212       47.53929 
1 1 1 -3  4   27 o 57.36162 24.45497 11.24025       118.0693 -117.7098      196.1607 84.49644       147.8507 61.87555 28.53353 71.92072 28.64322 -10.04517      40.43014 
1 1 1 -3  4   28 o 100.3920 26.62403 268.5799       129.8560 8.576021       214.8871 418.1452       162.9806 74.17446 32.31096 124.9403 27.98193 -50.76582      42.74326 
1 1 1 -3  4   29 o 263.3657 16.99076 1718.521       212.7927 2030.247       303.4826 1417.051       298.4492 282.5954 22.65217 232.6441 27.35520 49.95131       35.51659 
1 1 1 -3  4   30 o 166.9343 19.70614 707.5291       154.2457 727.4863       248.0552 694.9478       196.9529 161.2271 33.28462 161.8756 26.35494 -0.6484375     42.45526 
1 1 1 -3  4   31 o 158.9005 21.95475 656.7499       162.3352 666.1907       288.8140 652.3897       196.2736 147.1258 40.01173 154.9844 27.49586 -7.858582      48.54854 
1 1 1 -3  4   32 o 151.7647 34.05500 675.4217       241.0053 1427.584       416.9861 298.1281       295.3285 212.6473 42.50313 103.5738 40.72300 109.0734       58.86322 
1 1 1 -3  4   33 o 63.56623 26.43739 55.78758       132.6498 180.5060       246.2405 4.797275       157.4483 88.37581 36.31626 62.16326 27.35194 26.21255       45.46426 
1 1 1 -3  4   34 o 61.98816 28.27547 -34.84906      185.6439 -241.4216      251.0741 214.2972       275.7356 59.96316 28.96427 89.65720 37.75797 -29.69404      47.58774 
1 1 1 -3  4   35 o 199.0587 19.02977 1051.934       178.8999 1554.441       303.6906 784.8794       221.3914 229.4466 28.28272 160.7565 29.90643 68.69002       41.16195 
1 1 1 -3  4   36 o 42.29586 20.74714 -214.2276      143.2675 414.3902       265.3276 -472.9389      170.2146 100.6458 38.87420 38.15684 19.28488 62.48893       43.39482 
1 1 1 -3  5   1  o 114.5696 7.577726 315.9307       41.27335 0.000000       0.000000 315.9307       41.27335 ?        ?        114.5696 7.577726 0.000000       7.577726 
1 1 1 -3  5   2  o 292.4250 6.377672 2047.706       89.16307 1988.790       234.0606 2057.707       96.43424 286.1286 17.18960 293.0961 6.881972 -6.967499      18.51605 
1 1 1 -3  5   3  o 33.73762 11.66822 24.65012       22.90155 42.92712       28.56109 -8.262368      38.32683 42.21727 12.93295 31.11673 13.59848 11.10054       18.76645 
1 1 1 -3  5   4  o 61.15608 10.07843 92.09087       28.44175 137.8726       40.92562 49.32470       39.55481 74.84923 11.82927 46.36145 15.33838 28.48777       19.37002 
1 1 1 -3  5   5  o 185.6235 8.354137 827.3071       73.94836 760.2360       91.63443 952.5480       125.2172 177.6459 10.84097 198.5800 13.26532 -20.93411      17.13170 
1 1 1 -3  5   6  o 393.3704 14.77017 3729.248       277.2831 3668.408       391.3625 3790.573       392.9173 388.4919 21.15096 395.0080 20.88008 -6.516052      29.72105 
1 1 1 -3  5   7  o 98.70473 9.434706 235.5849       43.98082 199.1131       59.35721 279.9836       65.49070 89.92346 14.28386 107.1917 13.04786 -17.26827      19.34620 
1 1 1 -3  5   8  o 545.3668 19.23653 7184.712       500.7756 7052.444       707.3336 7317.633       709.0768 537.3519 27.62596 547.5753 27.17063 -10.22333      38.74838 
1 1 1 -3  5   9  o 322.0656 13.00987 2493.450       199.9083 2486.584       281.3190 2500.453       284.1279 320.7231 18.42434 321.5930 18.55870 -0.8699646     26.15113 
1 1 1 -3  5   10 o 350.6493 13.80172 2956.668       230.9221 2977.776       325.1774 2935.192       327.9870 350.8809 19.46063 348.2884 19.77871 2.592438       27.74731 
1 1 1 -3  5   11 o 472.1755 10.63066 5343.687       239.9782 5694.675       561.1804 5265.138       265.4764 484.1349 24.32322 468.3909 11.86476 15.74396       27.06273 
1 1 1 -3  5   12 o 244.7958 11.60477 1440.380       135.4286 1494.175       191.6523 1386.728       191.3979 248.6981 16.20711 239.4504 16.82623 9.247696       23.36220 
1 1 1 -3  5   13 o 544.8496 10.84909 7117.607       282.6040 7118.568       308.1434 7112.523       708.9648 544.7319 11.83210 539.6003 27.57315 5.131592       30.00462 
1 1 1 -3  5   14 o 102.6795 19.40263 262.7396       91.75792 222.8992       123.6021 311.6517       136.9531 94.32819 26.38170 110.9877 26.22837 -16.65953      37.20110 
1 1 1 -3  5   15 o 379.7411 12.02078 3464.893       217.9622 3927.563       281.8434 2776.464       343.7971 403.8389 14.62207 337.9326 21.38936 65.90628       25.90965 
1 1 1 -3  5   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  5   17 o 98.73344 26.94163 246.8969       130.6884 57.82177       152.2158 777.1448       254.9070 71.22134 28.82005 174.7475 31.67757 -103.5261      42.82597 
1 1 1 -3  5   18 o 413.7627 16.41191 4145.074       324.0086 3660.287       456.3671 4637.803       460.0902 385.5740 24.88998 435.4596 22.17271 -49.88556      33.33377 
1 1 1 -3  5   19 o 355.7293 13.82240 3057.274       234.6304 3223.761       308.1272 2827.514       361.9738 364.0636 17.75646 339.1402 22.45128 24.92343       28.62432 
1 1 1 -3  5   20 o 152.0894 18.03972 570.2582       128.6191 576.5789       174.6868 562.7748       190.0757 150.9017 25.09447 148.1526 27.85776 2.749115       37.49383 
1 1 1 -3  5   21 o 195.1447 15.85503 930.5560       146.6485 1002.686       203.7721 853.0618       211.2126 200.8265 21.56062 183.9739 24.63185 16.85265       32.73512 
1 1 1 -3  5   22 o 61.26281 26.38307 -0.6368561     140.0007 59.66113       263.2779 -24.40939      165.3106 86.95105 36.77099 64.03537 28.10600 22.91568       46.28232 
1 1 1 -3  5   23 o 221.1672 15.25842 1195.398       160.3499 1619.239       226.0152 765.8541       227.5305 256.2914 18.57169 171.7745 28.71902 84.51698       34.20072 
1 1 1 -3  5   24 o 277.2944 15.60420 1880.163       206.0322 2042.755       282.5996 1695.685       301.0191 286.6510 20.76171 259.0196 24.60326 27.63141       32.19269 
1 1 1 -3  5   25 o 158.3704 21.47864 633.8220       158.4379 829.0422       198.1938 288.1846       263.7170 180.5704 23.51622 107.8848 39.35572 72.68552       45.84632 
1 1 1 -3  5   26 o 67.45808 25.77249 87.12924       115.7444 2.534123       176.7364 150.6586       153.1584 67.87694 29.43752 81.74701 29.96501 -13.87007      42.00558 
1 1 1 -3  5   27 o 109.9951 24.30262 317.9189       124.3904 648.7366       197.0555 98.77518       160.3831 156.8788 27.26229 75.33204 29.88741 81.54671       40.45356 
1 1 1 -3  5   28 o 217.1643 15.76433 1164.237       162.5568 1465.161       247.3727 935.5289       215.6571 240.4587 21.75310 190.4485 24.23329 50.01019       32.56454 
1 1 1 -3  5   29 o 164.8497 23.04080 701.5084       176.6376 839.2958       228.3395 496.1848       278.7377 177.7817 27.77279 129.7641 40.51425 48.01759       49.11957 
1 1 1 -3  5   30 o 359.7871 16.27933 3218.393       279.2956 3693.772       408.5121 2801.155       382.7159 378.7806 22.66205 327.6122 24.61476 51.16846       33.45825 
1 1 1 -3  5   31 o 210.9551 17.75669 1124.764       177.4245 1230.963       277.7151 1051.526       230.6273 212.6904 27.99003 198.9945 24.77677 13.69591       37.38089 
1 1 1 -3  5   32 o 66.55761 29.46514 -0.4114495     185.3907 16.30640       236.3790 -27.12987      298.8299 74.72891 33.16692 78.95495 35.96046 -4.226036      48.92033 
1 1 1 -3  5   33 o 77.06501 29.14381 150.6165       147.0789 -370.3420      246.6717 437.9950       183.2082 55.09740 27.06636 120.5813 31.45589 -65.48389      41.49772 
1 1 1 -3  5   34 o 163.2180 22.53385 731.9471       171.1512 684.3004       275.9026 761.7511       218.2106 138.4424 39.65565 159.3559 29.73517 -20.91347      49.56562 
1 1 1 -3  5   35 o 90.94920 35.73638 278.9383       227.3033 11.14811       321.7056 545.8969       321.2057 76.01977 35.55682 113.0766 42.99793 -37.05679      55.79524 
1 1 1 -3  5   36 o 67.87341 29.35177 98.10329       174.6961 3.923767       456.9960 114.2211       189.0548 77.93322 37.97455 70.34775 30.47783 7.585472       48.69256 
1 1 1 -3  6   1  o 78.48818 8.464952 149.2623       31.26237 0.000000       0.000000 149.2623       31.26237 ?        ?        78.48818 8.464952 0.000000       8.464952 
1 1 1 -3  6   2  o 148.7387 7.742326 531.1512       54.86637 0.000000       0.000000 531.1512       54.86637 ?        ?        148.7387 7.742326 0.000000       7.742326 
1 1 1 -3  6   3  o 303.1142 7.597181 2201.091       110.0081 2161.130       250.5429 2210.635       122.4423 298.9245 17.60923 303.6936 8.441293 -4.769104      19.52794 
1 1 1 -3  6   4  o 132.1369 8.875886 420.0984       55.74652 398.6420       77.33288 443.3098       80.43349 128.2399 12.78353 135.3285 12.57585 -7.088623      17.93240 
1 1 1 -3  6   5  o 617.4238 7.832627 9126.472       231.2061 9264.864       324.4289 8983.648       329.5815 621.6443 10.91614 612.0793 11.26281 9.565002       15.68480 
1 1 1 -3  6   6  o 122.0577 9.267550 358.9005       53.67604 335.6243       72.16680 387.7203       80.30199 117.5390 13.06281 126.3733 13.50000 -8.834335      18.78528 
1 1 1 -3  6   7  o 50.23697 15.48968 60.51221       40.88806 61.37788       50.60944 58.88515       69.38399 52.00653 17.35421 55.09182 20.17269 -3.085285      26.61026 
1 1 1 -3  6   8  o 382.6544 9.624858 3509.902       175.9400 3281.187       360.3757 3581.476       201.5985 368.1367 20.55732 386.3855 10.92432 -18.24887      23.27969 
1 1 1 -3  6   9  o 307.0476 9.794371 2261.044       143.5935 2201.632       256.5928 2288.134       173.2647 301.8332 17.86139 308.6617 11.76290 -6.828522      21.38680 
1 1 1 -3  6   10 o 402.5590 9.834977 3882.909       189.2828 3875.044       212.7577 3912.767       414.5341 401.8725 11.08418 401.7303 21.66341 0.1421814      24.33438 
1 1 1 -3  6   11 o 535.6200 8.106938 6869.276       207.5975 6609.754       282.9241 7171.975       305.5544 524.9996 11.27204 546.8064 11.68817 -21.80682      16.23799 
1 1 1 -3  6   12 o 492.6875 8.313637 5813.103       195.8262 5441.146       268.1226 6238.357       286.6891 476.2309 11.77626 509.9290 11.75961 -33.69815      16.64238 
1 1 1 -3  6   13 o 579.5833 11.04182 8057.103       305.9602 7397.031       757.3751 8185.831       334.4668 549.2091 28.94684 584.0205 11.97889 -34.81140      31.32751 
1 1 1 -3  6   14 o 336.2605 13.82659 2722.778       221.8053 2895.630       313.8234 2550.242       313.5368 345.6708 19.06334 324.0240 20.34229 21.64685       27.87867 
1 1 1 -3  6   15 o 395.9699 15.82812 3784.444       299.0363 3800.520       418.6663 3767.701       427.2671 394.9650 22.26192 393.0585 22.83537 1.906494       31.89117 
1 1 1 -3  6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  6   17 o 319.5649 12.91323 2462.501       196.8825 2429.001       307.9799 2485.652       256.0301 315.3010 20.54281 320.1148 16.78795 -4.813782      26.53003 
1 1 1 -3  6   18 o 188.4568 15.42874 864.3423       137.7957 779.5332       184.7761 970.6027       206.8284 177.1623 22.30912 197.9861 22.23460 -20.82376      31.49721 
1 1 1 -3  6   19 o 484.3912 13.13874 5666.323       303.9885 5584.978       351.3590 5908.463       606.2037 480.0201 15.32994 487.4503 26.10761 -7.430206      30.27564 
1 1 1 -3  6   20 o 154.4424 17.30009 587.7158       125.5463 797.5272       172.2918 350.1870       183.3194 179.2375 20.47284 115.4800 32.06651 63.75755       38.04469 
1 1 1 -3  6   21 o 105.6718 32.85592 289.6926       183.5238 351.4807       249.8816 217.3318       270.4168 116.2309 38.55553 102.2657 39.31195 13.96524       55.06322 
1 1 1 -3  6   22 o 283.2599 15.65361 1959.448       211.1622 2098.454       281.8686 1781.649       318.7838 291.0614 20.38488 265.5042 25.42428 25.55713       32.58738 
1 1 1 -3  6   23 o 372.4655 13.71043 3371.084       243.7271 4108.376       330.7754 2495.303       360.5047 409.5158 16.93136 314.9596 24.12493 94.55621       29.47343 
1 1 1 -3  6   24 o 131.2676 25.80647 448.7903       156.1792 390.0440       180.5775 623.1918       311.1347 120.4727 31.13021 147.6980 42.04847 -27.22537      52.31791 
1 1 1 -3  6   25 o 69.01408 26.68557 87.58342       125.1294 244.2867       170.2265 -96.62244      184.5609 97.02490 31.80621 61.28527 28.04510 35.73963       42.40475 
1 1 1 -3  6   26 o 232.9192 15.88098 1337.037       175.7864 1531.316       247.6774 1139.837       249.5320 246.5211 21.22108 210.1461 25.34828 36.37500       33.05858 
1 1 1 -3  6   27 f 267.7240 15.26394 1763.525       194.5624 2146.326       282.2563 1416.973       268.5598 292.3183 20.32320 234.8069 24.27287 57.51132       31.65762 
1 1 1 -3  6   28 o 216.3133 18.69153 1171.935       191.4074 1720.661       341.1039 919.7416       231.2466 255.3163 28.42620 187.1400 26.59427 68.17636       38.92691 
1 1 1 -3  6   29 o 112.8848 36.26718 364.9737       221.9579 565.9954       346.4803 225.0623       289.0571 134.1799 45.41258 99.47701 39.90415 34.70285       60.45365 
1 1 1 -3  6   30 f 171.7632 29.43709 814.0226       233.0378 1512.824       369.0206 350.4863       300.5493 229.7447 34.67531 109.8878 41.63719 119.8569       54.18517 
1 1 1 -3  6   31 o 59.31485 26.64499 -33.01397      157.4793 291.7398       380.7953 -100.0144      172.9630 105.6174 44.41936 57.05981 26.48061 48.55759       51.71366 
1 1 1 -3  6   32 o 231.0687 20.31076 1388.829       222.0948 1261.576       407.5016 1442.601       264.8950 191.9119 45.16985 231.6262 24.28139 -39.71434      51.28256 
1 1 1 -3  6   33 o 111.9425 40.91615 452.6670       285.2504 112.0422       404.8867 788.3510       401.9395 89.33445 41.12287 135.3880 48.69825 -46.05352      63.73861 
1 1 1 -3  6   34 o 140.2191 35.34470 659.6718       236.8306 409.2172       525.5303 723.4977       265.2969 100.8705 46.58270 143.3496 38.07244 -42.47919      60.16193 
1 1 1 -3  6   35 f 74.41753 32.98462 114.7050       233.0144 116.6826       536.2996 114.2448       258.7098 85.63210 41.59188 75.86203 34.10880 9.770073       53.78935 
1 1 1 -3  6   36 o 154.8004 48.16788 1258.038       394.3570 1258.038       394.3570 0.000000       0.000000 154.8004 48.16788 ?        ?        0.000000       48.16788 
1 1 1 -3  7   1  o 271.3413 8.423701 1764.506       109.1442 0.000000       0.000000 1764.506       109.1442 ?        ?        271.3413 8.423701 0.000000       8.423701 
1 1 1 -3  7   2  o 282.3649 6.983695 1908.009       94.27668 0.000000       0.000000 1908.009       94.27668 ?        ?        282.3649 6.983695 0.000000       6.983695 
1 1 1 -3  7   3  o 530.0126 9.465464 6728.756       239.8482 0.000000       0.000000 6728.756       239.8482 ?        ?        530.0126 9.465464 0.000000       9.465464 
1 1 1 -3  7   4  o 179.2907 5.997374 769.9022       51.33523 816.8914       88.99560 746.4711       62.84420 184.3669 10.13564 176.4426 7.466829 7.924301       12.58907 
1 1 1 -3  7   5  o 94.85662 9.817694 217.8571       43.88026 184.6111       54.36306 280.0152       74.33325 86.67139 13.56403 106.9376 14.94707 -20.26620      20.18410 
1 1 1 -3  7   6  o 248.8346 9.224547 1485.114       109.5498 1482.253       185.3791 1486.649       135.7986 247.8037 15.72865 248.7381 11.45016 -0.9343414     19.45499 
1 1 1 -3  7   7  o 487.4063 9.963897 5692.409       232.1821 5612.500       252.7812 6123.625       587.2115 483.8563 10.92748 501.9374 24.54457 -18.08112      26.86719 
1 1 1 -3  7   8  f 138.1019 9.709478 459.2097       63.69822 426.6498       86.35166 498.0755       94.34372 132.5761 13.82675 143.3372 13.94320 -10.76108      19.63649 
1 1 1 -3  7   9  o 313.7628 9.387161 2360.696       140.6551 2339.579       163.5797 2420.596       275.5049 312.1757 10.97737 316.3564 18.29366 -4.180695      21.33450 
1 1 1 -3  7   10 o 180.5329 10.67514 784.1407       91.72659 759.0439       122.0736 816.6857       139.0129 177.1152 14.54444 183.5363 16.00239 -6.421097      21.62446 
1 1 1 -3  7   11 o 539.1645 10.57276 6970.490       272.5324 6913.432       295.3991 7296.815       706.4439 536.7999 11.51035 546.3212 27.13203 -9.521362      29.47262 
1 1 1 -3  7   12 o 502.1324 10.56956 6046.939       253.7369 6033.366       278.3547 6113.652       617.1124 501.3990 11.61199 500.1964 25.89383 1.202667       28.37832 
1 1 1 -3  7   13 o 445.2408 10.73863 4756.030       228.5872 4672.624       255.7665 5087.088       509.5601 440.9320 12.14444 456.8143 23.40982 -15.88226      26.37247 
1 1 1 -3  7   14 o 762.3530 26.52647 14250.13       965.3432 14355.22       1362.515 14144.20       1367.904 755.4592 37.84487 749.4202 38.30585 6.039001       53.84767 
1 1 1 -3  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  7   16 o 223.6353 15.99379 1215.193       169.8726 1193.707       208.6557 1257.426       292.5386 220.6386 19.99759 223.9231 27.93166 -3.284515      34.35231 
1 1 1 -3  7   17 o 209.2039 14.76706 1062.795       146.7481 941.4075       200.7131 1202.207       215.0992 194.9665 21.91201 221.0108 20.59418 -26.04427      30.07086 
1 1 1 -3  7   18 o 228.1327 14.41057 1263.636       156.3696 1203.886       209.8332 1338.257       234.4966 221.0462 20.07429 232.7188 21.31280 -11.67262      29.27820 
1 1 1 -3  7   19 o 308.8946 14.28141 2315.532       210.3356 2456.332       273.2210 2110.684       329.5553 316.7412 18.11827 290.9738 23.90054 25.76740       29.99180 
1 1 1 -3  7   20 o 200.2728 17.35092 986.2583       164.4944 1125.829       249.9052 879.5582       218.5046 210.9518 25.28201 186.1871 25.19306 24.76476       35.69132 
1 1 1 -3  7   21 o 255.6729 14.54282 1592.896       177.0301 1741.453       242.6903 1423.958       258.8024 265.5104 19.24961 238.2921 23.00255 27.21834       29.99441 
1 1 1 -3  7   22 o 397.5111 13.85034 3840.665       262.8173 3841.994       326.1236 3838.203       443.8914 395.7724 17.27730 391.1219 23.85207 4.650482       29.45210 
1 1 1 -3  7   23 o 173.3912 16.98779 743.4496       139.0174 676.4471       187.8200 824.6309       206.7397 162.2211 25.02095 179.5367 24.74312 -17.31554      35.18906 
1 1 1 -3  7   24 o 208.1992 17.99520 1075.354       177.3634 1184.841       281.6677 1003.419       228.3121 213.1875 28.33656 197.9654 24.65590 15.22212       37.56160 
1 1 1 -3  7   25 o 129.5643 23.35543 435.0131       139.3501 541.1120       183.8558 291.7845       213.6175 142.7276 27.94449 104.8508 35.65603 37.87673       45.30174 
1 1 1 -3  7   26 o 64.05433 26.35428 48.38403       129.8837 72.54218       172.1783 16.48392       197.8531 73.72814 30.33981 72.09606 31.20722 1.632080       43.52464 
1 1 1 -3  7   27 o 118.8529 30.80206 388.2932       176.4410 83.77753       312.1344 531.2874       213.8928 91.39019 39.37615 138.2651 32.84677 -46.87489      51.27759 
1 1 1 -3  7   28 o 243.0052 21.91866 1508.898       251.9122 961.3619       419.6986 1817.243       314.9558 171.8344 48.80887 264.1435 25.24714 -92.30910      54.95201 
1 1 1 -3  7   29 o 77.50858 31.82585 101.1539       188.9220 393.5086       249.8346 -289.2769      288.7151 114.7211 38.56212 66.01313 31.67454 48.70798       49.90304 
1 1 1 -3  7   30 o 63.15099 29.54537 -136.3674      222.3622 38.03393       260.0551 -610.5976      428.8299 79.36613 35.02738 71.27644 35.14469 8.089684       49.61921 
1 1 1 -3  7   31 o 86.06878 35.98448 149.2655       247.6483 319.2176       283.0197 -406.0287      511.5816 103.6022 40.11336 82.81575 40.31441 20.78642       56.87120 
1 1 1 -3  7   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  7   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  7   34 o 65.69539 29.29967 38.67153       186.7700 -35.91249      312.4255 80.14861       232.9848 72.59035 34.28987 73.05785 32.64423 -0.4674988     47.34386 
1 1 1 -3  7   35 o 73.26393 33.24675 112.1009       252.5445 -11.30360      325.8933 297.6065       399.5660 71.05930 33.97679 86.24030 40.09968 -15.18100      52.55860 
1 1 1 -3  8   1  o 536.2515 9.605302 6889.236       246.2566 0.000000       0.000000 6889.236       246.2566 ?        ?        536.2515 9.605302 0.000000       9.605302 
1 1 1 -3  8   2  o 395.3628 7.236784 3741.254       136.7886 0.000000       0.000000 3741.254       136.7886 ?        ?        395.3628 7.236784 0.000000       7.236784 
1 1 1 -3  8   3  o 750.9620 8.133084 13502.47       291.9991 0.000000       0.000000 13502.47       291.9991 ?        ?        750.9620 8.133084 0.000000       8.133084 
1 1 1 -3  8   4  f 488.9090 7.497534 5721.859       175.2487 0.000000       0.000000 5721.859       175.2487 ?        ?        488.9090 7.497534 0.000000       7.497534 
1 1 1 -3  8   5  o 471.9582 8.765101 5334.864       197.7738 5250.196       539.9427 5347.984       212.5453 464.5769 24.39531 472.4688 9.409574 -7.891937      26.14710 
1 1 1 -3  8   6  o 382.5172 7.527576 3502.768       137.6621 3404.088       191.5776 3608.117       197.9459 376.6678 10.64913 387.7953 10.68685 -11.12753      15.08684 
1 1 1 -3  8   7  o 492.8600 17.51771 5860.901       412.1146 5557.767       581.2766 6167.271       584.3718 477.4322 25.55927 503.4458 24.35107 -26.01361      35.30228 
1 1 1 -3  8   8  o 71.41487 13.34406 126.4358       43.88530 118.0579       53.19306 144.2926       77.65872 68.66131 16.42532 76.03221 20.77694 -7.370903      26.48532 
1 1 1 -3  8   9  o 390.6223 14.86533 3675.690       277.1066 3634.456       389.5834 3717.914       394.2337 386.9084 21.14157 391.3356 21.15012 -4.427155      29.90475 
1 1 1 -3  8   10 o 299.1988 8.706224 2146.593       124.4044 2221.899       163.7309 2043.738       191.3488 304.0886 11.28173 291.2480 13.78123 12.84058       17.81010 
1 1 1 -3  8   11 o 334.0902 13.61572 2688.341       217.0211 2713.735       302.8078 2661.521       311.1923 334.4803 19.01431 331.0469 19.75196 3.433441       27.41685 
1 1 1 -3  8   12 o 203.4455 11.66240 997.3417       112.9590 962.2288       146.3279 1049.124       177.6995 199.2097 15.48570 207.5478 18.08907 -8.338120      23.81221 
1 1 1 -3  8   13 o 406.6069 13.85261 3986.318       268.8934 4030.311       438.5791 3959.821       340.3696 405.9415 22.68859 404.1710 17.65739 1.770477       28.74988 
1 1 1 -3  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  8   15 o 196.5471 14.48772 937.7474       135.1799 913.1964       175.0420 974.0267       212.7834 192.8224 19.24465 198.1440 22.88188 -5.321655      29.89878 
1 1 1 -3  8   16 o 210.2245 15.98191 1076.886       159.4240 1112.374       230.0420 1044.091       221.1405 211.5435 23.12178 204.9296 22.96582 6.613846       32.58904 
1 1 1 -3  8   17 o 431.5875 14.06435 4510.561       289.8122 4390.171       479.1646 4580.006       363.9229 420.7117 23.92132 433.3323 17.60293 -12.62061      29.70004 
1 1 1 -3  8   18 o 269.9220 14.55640 1771.373       187.1505 1672.580       255.2309 1886.264       275.2420 260.0396 20.70057 276.1048 21.00899 -16.06525      29.49392 
1 1 1 -3  8   19 o 247.1766 14.90744 1489.530       175.3459 1480.462       240.8416 1499.757       255.7855 244.1817 20.82919 245.2339 22.05185 -1.052185      30.33380 
1 1 1 -3  8   20 o 300.3730 16.01785 2206.004       229.1924 2569.343       306.5070 1745.186       345.1827 322.2704 19.99196 261.0085 28.10456 61.26193       34.48978 
1 1 1 -3  8   21 o 242.6035 16.65124 1445.547       191.9598 1473.035       280.2555 1421.254       263.4661 241.1673 24.65326 237.4483 23.51711 3.718903       34.07107 
1 1 1 -3  8   22 f 278.1489 16.11776 1898.348       213.4156 1649.588       278.7405 2250.762       331.7689 255.7881 23.04021 298.8124 23.41032 -43.02434      32.84652 
1 1 1 -3  8   23 o 96.21295 28.34023 244.1345       139.1482 356.3461       183.1808 91.05434       213.9540 114.5821 32.14203 81.99619 33.78957 32.58591       46.63523 
1 1 1 -3  8   24 o 78.03294 28.90776 134.4268       143.1771 36.78008       189.7420 263.5507       218.1916 72.94495 31.04673 101.3153 35.94272 -28.37032      47.49504 
1 1 1 -3  8   25 o 136.1662 25.44995 487.9659       159.5878 531.6478       214.3138 433.5972       239.0970 138.4851 32.86596 123.3754 37.34458 15.10971       49.74725 
1 1 1 -3  8   26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  8   27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  8   28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  8   29 o 66.27383 28.83848 18.48569       170.7944 59.00766       235.8296 -26.21315      247.6858 78.37601 33.99764 73.59414 33.20637 4.781868       47.52370 
1 1 1 -3  8   30 o 130.7119 30.17593 491.3941       184.7582 516.8345       256.3351 463.8882       266.5387 127.3436 38.69276 120.0192 39.82012 7.324448       55.52271 
1 1 1 -3  8   31 f 119.4887 38.15729 473.6062       245.9713 588.4189       423.3743 415.1074       302.2061 121.4252 48.43322 110.1026 41.74417 11.32251       63.94022 
1 1 1 -3  8   32 o 86.41661 35.63451 211.2700       238.1631 216.0294       426.8409 209.1185       286.9908 93.04546 42.60575 88.03436 37.84153 5.011101       56.98449 
1 1 1 -3  8   33 o 107.6591 42.65964 492.1516       326.3668 670.5026       443.4037 281.2871       482.1289 113.8441 47.90877 93.44337 43.64818 20.40073       64.81060 
1 1 1 -3  8   34 o 59.54871 27.82404 -42.04010      196.1572 -16.62546      275.2584 -68.26451      279.6092 68.33869 32.25247 66.29819 31.63750 2.040504       45.17912 
1 1 1 -3  8   35 f 136.8162 33.39233 685.2856       216.4715 293.0376       304.3271 1087.005       307.9795 83.05894 37.19667 160.7376 40.18754 -77.67864      54.75975 
1 1 1 -3  9   1  o 476.2686 17.10682 5471.782       388.8872 0.000000       0.000000 5471.782       388.8872 ?        ?        476.2686 17.10682 0.000000       17.10682 
1 1 1 -3  9   2  o 574.0220 9.861573 7897.312       270.6345 0.000000       0.000000 7897.312       270.6345 ?        ?        574.0220 9.861573 0.000000       9.861573 
1 1 1 -3  9   3  o 216.4372 8.796701 1124.027       90.83521 0.000000       0.000000 1124.027       90.83521 ?        ?        216.4372 8.796701 0.000000       8.796701 
1 1 1 -3  9   4  f 128.5715 8.208135 397.5038       50.19072 0.000000       0.000000 397.5038       50.19072 ?        ?        128.5715 8.208135 0.000000       8.208135 
1 1 1 -3  9   5  o 157.7185 7.590038 596.9806       57.06349 572.9117       96.71631 609.8334       70.67591 153.8602 13.27796 159.2534 9.323483 -5.393234      16.22441 
1 1 1 -3  9   6  o 182.4042 7.214303 797.7953       62.78851 834.4263       123.4152 785.0027       72.93276 185.7784 13.99818 180.8281 8.459681 4.950363       16.35589 
1 1 1 -3  9   7  o 365.5770 9.300548 3205.313       162.4213 3234.023       183.3580 3100.696       350.0168 367.0519 10.45941 357.2633 20.57945 9.788544       23.08491 
1 1 1 -3  9   8  o 326.1479 13.38288 2561.759       208.2328 2684.472       291.9177 2434.630       297.1227 332.7942 18.41932 316.5545 19.73075 16.23969       26.99211 
1 1 1 -3  9   9  o 330.8495 10.95535 2630.359       173.0476 2524.896       289.2631 2689.140       215.9533 322.4871 18.84381 334.0706 13.54925 -11.58353      23.20929 
1 1 1 -3  9   10 o 90.51136 15.30995 202.8669       63.89001 167.1318       91.35560 237.0769       89.38488 81.60126 22.62839 97.14977 19.91429 -15.54852      30.14337 
1 1 1 -3  9   11 o 247.6436 11.18418 1476.515       132.0740 1446.149       189.6822 1505.091       184.0087 244.0904 16.34854 249.2198 15.52060 -5.129379      22.54248 
1 1 1 -3  9   12 o 401.1634 16.16669 3898.265       309.4284 4193.316       430.8202 3583.888       444.7059 413.8732 21.85052 381.3577 24.52109 32.51556       32.84401 
1 1 1 -3  9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  9   14 o 81.40858 28.42617 150.4761       136.0832 -30.75494      166.0648 520.9580       237.4350 64.05858 28.14138 140.3465 35.39696 -76.28793      45.22037 
1 1 1 -3  9   15 o 215.1188 15.85015 1128.519       161.8675 1021.206       193.7001 1376.933       294.7081 203.3113 20.19448 233.7058 26.86432 -30.39445      33.60817 
1 1 1 -3  9   16 o 311.9709 12.73896 2355.067       189.6015 2256.108       222.2672 2619.483       363.3219 304.5119 15.31650 324.4003 23.58735 -19.88843      28.12398 
1 1 1 -3  9   17 o 48.05719 21.93835 -66.70412      112.0416 -170.1129      138.4395 129.6188       190.7511 46.83983 22.32683 84.35522 32.85624 -37.51540      39.72430 
1 1 1 -3  9   18 o 36.55333 18.18385 -303.3480      124.6186 -270.0494      167.9057 -344.1866      185.9465 47.95786 23.28844 48.38081 23.71223 -0.4229507     33.23584 
1 1 1 -3  9   19 o 276.0137 22.94357 1909.722       300.0262 0.000000       0.000000 1909.722       300.0262 ?        ?        276.0137 22.94357 0.000000       22.94357 
1 1 1 -3  9   20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  9   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  9   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  9   23 o 98.05842 34.01610 248.4286       194.7005 344.9619       314.5888 188.4952       247.8790 114.4049 42.75914 94.70457 37.28631 19.70036       56.73282 
1 1 1 -3  9   24 o 205.8763 21.39248 1076.115       207.4936 1343.363       242.7274 350.7787       399.8810 229.6077 22.39615 117.6292 47.01969 111.9785       52.08108 
1 1 1 -3  9   25 o 456.5895 16.06782 5142.095       350.1981 5360.078       574.9138 5013.500       441.5732 454.2379 26.58975 446.2725 20.75320 7.965363       33.72996 
1 1 1 -3  9   26 f 277.8278 18.30370 1932.587       241.7669 2086.094       309.7778 1693.387       386.6941 285.1089 22.91937 247.4196 33.55478 37.68932       40.63522 
1 1 1 -3  9   27 o 130.7747 38.85329 522.6898       260.6167 300.0738       361.5273 763.5324       376.0361 107.7059 44.10321 150.6165 47.06195 -42.91055      64.49745 
1 1 1 -3  9   28 o 79.74540 32.34565 125.1595       192.2531 133.1169       218.7643 98.16769       402.9073 83.11488 34.20033 95.35897 42.74498 -12.24409      54.74300 
1 1 1 -3  9   29 o 212.9105 23.63844 1206.425       236.5654 1133.484       278.8833 1393.565       446.7029 200.4021 30.03185 200.8434 47.30644 -0.4412689     56.03402 
1 1 1 -3  9   30 o 184.5821 35.56764 1051.023       302.4905 1172.628       406.4123 899.9866       452.9308 179.1849 46.90270 145.4806 51.76770 33.70425       69.85526 
1 1 1 -3  9   31 o 115.4130 33.24493 430.5010       193.3908 671.7529       248.3238 58.65113       308.2953 141.6805 36.45184 79.73818 36.39723 61.94234       51.51208 
1 1 1 -3  9   32 f 77.23761 31.19510 161.7012       177.9572 354.4608       246.1025 -49.54296      257.6323 98.65639 37.60769 67.81912 31.75299 30.83727       49.21982 
1 1 1 -3  9   33 o 100.5166 34.36982 371.3170       198.5300 446.8535       265.0045 274.6957       299.7168 103.0976 39.08996 87.03396 38.03136 16.06366       54.53814 
1 1 1 -3  9   34 o 74.80312 31.92633 180.3482       201.6314 360.2460       270.8258 -43.37423      302.0173 89.22772 37.48933 66.61932 32.07601 22.60840       49.33883 
1 1 1 -3  10  1  o 234.2864 8.796835 1317.339       98.35802 0.000000       0.000000 1317.339       98.35802 ?        ?        234.2864 8.796835 0.000000       8.796835 
1 1 1 -3  10  2  o 344.6335 7.964430 2845.253       131.2262 0.000000       0.000000 2845.253       131.2262 ?        ?        344.6335 7.964430 0.000000       7.964430 
1 1 1 -3  10  3  o 409.2498 15.26320 4041.151       298.1129 0.000000       0.000000 4041.151       298.1129 ?        ?        409.2498 15.26320 0.000000       15.26320 
1 1 1 -3  10  4  o 248.7122 12.09467 1489.775       143.3823 0.000000       0.000000 1489.775       143.3823 ?        ?        248.7122 12.09467 0.000000       12.09467 
1 1 1 -3  10  5  o 214.1333 9.312548 1101.640       95.10898 0.000000       0.000000 1101.640       95.10898 ?        ?        214.1333 9.312548 0.000000       9.312548 
1 1 1 -3  10  6  o 452.1764 7.827370 4899.097       169.2124 4794.077       505.4113 4912.354       179.5759 442.3563 23.98791 452.7220 8.296752 -10.36575      25.38219 
1 1 1 -3  10  7  o 175.4064 8.521925 739.3682       71.25081 805.3237       132.3370 712.4444       84.55195 182.0515 15.34754 171.9597 10.33228 10.09174       18.50144 
1 1 1 -3  10  8  f 60.04941 22.00778 71.45053       82.61046 140.2204       118.1666 5.709017       115.5355 78.04282 26.51959 57.12486 24.26677 20.91797       35.94669 
1 1 1 -3  10  9  o 93.86629 34.87892 180.6805       208.7263 0.000000       0.000000 180.6805       208.7263 ?        ?        93.86629 34.87892 0.000000       34.87892 
1 1 1 -3  10  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  10  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  10  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  10  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  10  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  10  15 o 113.0078 31.32694 337.3235       175.1237 337.3235       175.1237 0.000000       0.000000 113.0078 31.32694 ?        ?        0.000000       31.32694 
1 1 1 -3  10  16 o 155.9862 18.49914 604.4174       135.2749 552.1563       142.3170 1093.636       435.4305 148.3196 20.62757 194.6674 47.26567 -46.34779      51.57074 
1 1 1 -3  10  17 o 93.77190 29.34937 225.6329       146.1836 93.18323       208.5795 353.4984       204.9382 82.29128 33.57440 114.9565 34.52561 -32.66525      48.15868 
1 1 1 -3  10  18 o 93.58282 30.35773 223.1550       155.2791 287.7372       243.9751 179.1822       201.3176 107.1078 38.00616 90.86749 34.15497 16.24030       51.09825 
1 1 1 -3  10  19 o 158.3427 18.42361 625.0887       136.8684 551.8979       177.4632 732.5385       215.0218 145.5520 26.47753 167.5437 27.81917 -21.99165      38.40529 
1 1 1 -3  10  20 o 193.8074 19.03707 936.8109       174.1183 969.1552       203.7306 849.1722       335.3555 195.7514 22.15841 172.1346 41.28284 23.61688       46.85369 
1 1 1 -3  10  21 o 99.75481 28.42286 265.5039       142.1039 342.9769       202.6753 190.5913       199.2979 111.9008 34.48322 91.06439 34.03404 20.83646       48.45006 
1 1 1 -3  10  22 o 137.5028 28.92733 508.7382       184.1292 458.9509       346.7627 528.2882       217.2936 126.0798 45.24690 137.9249 33.32785 -11.84516      56.19633 
1 1 1 -3  10  23 f 68.78946 32.21219 -185.9268      265.3069 -542.3260      353.7175 272.4486       401.1426 67.07479 32.83898 111.6264 46.15947 -44.55161      56.64887 
1 1 1 -3  10  24 o 186.3606 21.42896 886.0070       187.4547 1381.105       256.3394 316.9184       274.8270 231.7744 23.45604 108.7780 40.09462 122.9964       46.45174 
1 1 1 -3  10  25 o 242.3968 18.64242 1477.576       214.3833 1531.927       293.5647 1415.468       313.8149 241.5386 25.82209 229.2462 29.30172 12.29240       39.05600 
1 1 1 -3  10  26 o 116.9009 29.70952 384.9539       166.3646 647.0565       244.7234 159.7530       226.8428 148.4737 35.04354 87.11759 35.20773 61.35607       49.67529 
1 1 1 -3  10  27 o 119.2071 28.36402 399.6254       159.2954 464.7051       220.3454 328.3739       230.5569 124.0281 35.41058 105.2545 36.98204 18.77360       51.20137 
1 1 1 -3  10  28 o 83.89721 30.40393 186.6149       157.0336 199.8617       217.1283 172.0870       227.3849 88.88330 34.92654 86.66389 35.16785 2.219406       49.56451 
1 1 1 -3  10  29 o 89.02588 33.84986 222.6901       199.0584 -346.4016      376.1297 444.0942       234.6061 71.19381 34.63675 116.5590 37.26998 -45.36523      50.87981 
1 1 1 -3  10  30 f 72.17838 30.25156 104.2598       175.6796 -86.88624      232.9476 356.3571       267.5221 64.36535 30.15447 100.8806 39.01589 -36.51525      49.31057 
1 1 1 -3  10  31 o 82.54209 30.62167 208.2621       160.7621 376.3024       200.6072 -93.35365      268.7613 104.2138 34.54480 66.66611 31.58409 37.54771       46.80703 
1 1 1 -3  10  32 o 101.3255 35.88895 391.0381       217.4646 427.4185       347.4395 367.6060       278.8372 96.95847 41.65643 94.82485 38.76936 2.133621       56.90626 
1 1 1 -3  10  33 o 70.28597 29.47818 143.1058       166.9836 300.9476       211.8524 -115.8197      271.3374 86.83283 34.38191 61.70140 29.87784 25.13143       45.54999 
1 1 1 -3  11  1  o 271.4074 14.50795 1782.408       187.5665 0.000000       0.000000 1782.408       187.5665 ?        ?        271.4074 14.50795 0.000000       14.50795 
1 1 1 -3  11  2  o 125.2399 26.08957 399.8396       151.1351 0.000000       0.000000 399.8396       151.1351 ?        ?        125.2399 26.08957 0.000000       26.08957 
1 1 1 -3  11  3  o 314.2332 10.73196 2375.641       160.9910 0.000000       0.000000 2375.641       160.9910 ?        ?        314.2332 10.73196 0.000000       10.73196 
1 1 1 -3  11  4  o 204.6276 11.62983 1010.505       113.3063 0.000000       0.000000 1010.505       113.3063 ?        ?        204.6276 11.62983 0.000000       11.62983 
1 1 1 -3  11  5  o 360.3252 8.348894 3114.117       143.8242 0.000000       0.000000 3114.117       143.8242 ?        ?        360.3252 8.348894 0.000000       8.348894 
1 1 1 -3  11  6  o 175.6460 10.38279 744.0290       86.79985 0.000000       0.000000 744.0290       86.79985 ?        ?        175.6460 10.38279 0.000000       10.38279 
1 1 1 -3  11  7  o 256.9127 8.389069 1585.294       102.9023 1673.264       208.9665 1557.134       118.2310 262.1316 16.76218 254.4085 9.738543 7.723083       19.38582 
1 1 1 -3  11  8  o 79.61446 13.82123 157.3922       50.70023 160.6013       140.6840 156.9132       54.35249 83.47306 28.91721 79.28758 14.88508 4.185478       32.52339 
1 1 1 -3  11  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  11  10 o 257.5458 13.09799 1606.475       160.7456 1608.207       201.3532 1603.430       266.9196 256.7138 16.49320 254.2583 22.18001 2.455536       27.64016 
1 1 1 -3  11  11 o 322.4575 12.07187 2512.907       185.7752 2625.763       229.8789 2300.441       315.4157 328.7861 14.66125 304.7648 21.79141 24.02130       26.26439 
1 1 1 -3  11  12 o 121.3298 22.70629 375.2072       126.8710 625.9662       185.2331 153.6163       174.1270 156.4928 25.64553 85.45943 31.83748 71.03340       40.88176 
1 1 1 -3  11  13 o 188.8676 16.68527 876.5902       149.1125 828.4597       207.6702 927.8127       214.2368 180.6965 24.68358 191.7145 23.89085 -11.01802      34.35189 
1 1 1 -3  11  14 o 347.6872 14.12705 2938.839       234.3382 3074.080       299.3140 2724.656       376.6735 353.9169 17.74619 329.5579 24.07304 24.35907       29.90717 
1 1 1 -3  11  15 o 153.8102 20.91490 594.8185       149.8167 668.1082       199.8796 500.8556       226.3212 160.7421 26.96329 135.8066 34.72582 24.93556       43.96478 
1 1 1 -3  11  16 o 114.6706 35.89854 352.9296       218.6902 570.3462       310.5049 138.9249       308.0590 141.8247 42.47517 97.62768 40.41829 44.19706       58.63257 
1 1 1 -3  11  17 o 191.4780 16.96068 905.4662       153.6597 903.9935       163.9017 916.1572       441.6076 190.8707 18.18055 173.4614 50.31914 17.40933       53.50278 
1 1 1 -3  11  18 f 268.6680 14.18378 1762.845       181.5411 1598.260       231.8788 2023.492       291.8057 253.5095 19.27643 284.0103 21.65398 -30.50073      28.99096 
1 1 1 -3  11  19 o 141.3846 26.03805 523.8121       169.5193 404.3118       196.2467 875.0878       336.4664 121.2970 32.97998 174.1077 41.08822 -52.81071      52.68701 
1 1 1 -3  11  20 o 222.7081 16.46933 1226.954       174.1151 1376.801       240.6590 1062.365       252.2194 233.0975 21.84984 201.6591 26.82564 31.43840       34.59813 
1 1 1 -3  11  21 o 146.8918 26.05527 568.9468       176.2791 671.4324       257.8913 479.0699       241.5070 154.1288 35.70029 129.2880 37.12309 24.84074       51.50373 
1 1 1 -3  11  22 o 244.1677 19.40155 1496.992       224.6207 1704.439       290.6435 1189.324       353.9552 257.5446 23.87660 204.6864 37.55368 52.85820       44.50136 
1 1 1 -3  11  23 f 260.6266 15.81096 1680.661       196.0819 1840.526       265.7869 1489.744       290.4557 269.5314 20.78652 238.6949 25.86522 30.83646       33.18266 
1 1 1 -3  11  24 o 81.46383 29.26769 164.2404       145.1329 -104.8722      176.9070 718.2059       253.8162 58.12920 26.90872 158.1497 34.53894 -100.0205      43.78376 
1 1 1 -3  11  25 o 133.2159 28.47322 493.4559       175.8435 353.2055       230.0519 690.5510       272.7167 109.1290 37.00355 150.5858 37.91162 -41.45680      52.97692 
1 1 1 -3  11  26 o 116.9802 41.65487 441.3732       293.3030 433.7832       389.0336 451.3691       446.4563 115.5726 46.31650 117.1824 48.59873 -1.609833      67.13460 
1 1 1 -3  11  27 f 96.72488 35.33402 271.7510       212.6826 412.6223       245.0962 -157.6894      427.9339 113.8633 38.19394 83.72255 39.72014 30.14071       55.10414 
1 1 1 -3  11  28 o 137.8660 41.24714 666.6648       292.9241 782.7389       427.8234 564.2288       401.9048 135.3308 49.99982 119.0113 47.28123 16.31956       68.81495 
1 1 1 -3  11  29 o 112.9310 36.56255 443.2322       225.3056 481.8752       271.6663 358.0923       403.2430 113.4319 40.11895 99.47946 43.77182 13.95248       59.37594 
1 1 1 -3  11  30 o 161.1595 26.06498 761.3870       193.9745 764.6898       220.2152 749.9534       409.7363 156.2690 30.57125 121.5660 47.91481 34.70291       56.83688 
1 1 1 -3  11  31 o 68.30968 31.99184 -3.557083      261.8379 -410.1436      328.9156 699.8935       432.6382 59.48524 29.58333 108.9876 46.64760 -49.50232      55.23742 
1 1 1 -3  11  32 o 50.23582 24.32051 -149.4260      179.5363 -55.63475      194.3636 -694.7430      468.6605 57.01727 26.96717 61.49066 31.18032 -4.473392      41.22427 
1 1 1 -3  12  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  12  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  12  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  12  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  12  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  12  6  o 357.8611 12.55818 3096.389       214.5241 0.000000       0.000000 3096.389       214.5241 ?        ?        357.8611 12.55818 0.000000       12.55818 
1 1 1 -3  12  7  o 244.7889 9.800852 1443.901       114.4683 0.000000       0.000000 1443.901       114.4683 ?        ?        244.7889 9.800852 0.000000       9.800852 
1 1 1 -3  12  8  o 291.5340 9.096200 2045.360       126.6269 2102.936       170.5320 1974.601       189.0513 294.8530 12.12326 285.1666 13.90864 9.686432       18.45057 
1 1 1 -3  12  9  o 272.7196 8.540424 1789.005       111.2163 1882.139       232.5844 1761.397       126.6320 276.9736 17.65635 270.3364 9.814132 6.637177       20.20059 
1 1 1 -3  12  10 o 224.7109 13.37513 1227.276       143.0413 1387.324       185.4815 992.4034       224.6933 238.0037 16.40108 198.2012 24.21461 39.80251       29.24624 
1 1 1 -3  12  11 o 298.2597 12.16783 2154.160       173.1423 2064.970       216.0953 2314.083       289.3641 290.8091 15.59988 305.9294 19.89190 -15.12024      25.27932 
1 1 1 -3  12  12 o 311.5067 12.26783 2350.804       182.3448 2323.217       227.3308 2400.577       305.3462 308.4697 15.46410 311.0613 20.64922 -2.591583      25.79785 
1 1 1 -3  12  13 o 587.6768 13.50776 8380.396       379.5161 8059.658       806.0803 8471.742       430.1778 559.2128 30.26314 589.4630 15.27739 -30.25024      33.90069 
1 1 1 -3  12  14 o 225.4776 15.74635 1247.197       168.6761 1259.068       196.3844 1213.807       329.3613 225.5237 18.37310 213.4013 33.37516 12.12248       38.09819 
1 1 1 -3  12  15 o 412.6416 11.89215 4125.991       234.3627 4210.331       287.9213 3960.385       403.4543 415.4721 14.51749 398.4172 21.25802 17.05487       25.74220 
1 1 1 -3  12  16 o 103.5204 23.00833 278.7634       110.9200 199.7769       128.8526 504.7751       217.9627 88.01448 27.55580 135.5738 33.75790 -47.55930      43.57657 
1 1 1 -3  12  17 o 259.2227 18.85006 1672.851       232.0151 1852.521       326.1697 1488.821       330.1035 268.3917 25.73436 237.6638 29.69861 30.72787       39.29714 
1 1 1 -3  12  18 o 270.1503 18.92811 1820.834       242.9206 1760.530       285.8462 1977.615       460.8995 263.0596 22.95825 266.7625 37.14485 -3.702850      43.66717 
1 1 1 -3  12  19 o 285.9369 16.05957 2018.246       218.6571 2031.819       302.9410 2003.484       315.9230 282.5890 22.61156 279.6570 23.85669 2.931976       32.86981 
1 1 1 -3  12  20 o 95.79183 31.44215 243.7344       166.3295 236.4127       190.0653 267.6795       343.7196 95.66940 33.58073 107.8836 43.43134 -12.21424      54.89943 
1 1 1 -3  12  21 o 348.8268 13.09792 2974.701       218.0461 2998.319       264.0819 2924.109       386.5077 348.3936 15.89667 337.0532 24.14560 11.34036       28.90872 
1 1 1 -3  12  22 o 300.8471 14.01281 2226.291       200.9948 2332.136       253.4860 2047.051       329.8660 305.6076 17.42145 280.1367 24.88850 25.47095       30.38000 
1 1 1 -3  12  23 o 61.33562 25.32025 47.76994       120.4241 28.17254       128.2124 194.5320       350.8633 60.32762 25.59279 98.96989 42.17413 -38.64227      49.33202 
1 1 1 -3  12  24 o 209.8388 17.03112 1111.296       169.3913 1086.313       221.0450 1146.841       263.6611 203.0191 23.18922 204.8559 27.62425 -1.836731      36.06715 
1 1 1 -3  12  25 o 46.96115 22.43955 -156.1508      141.6481 -178.8242      168.5458 -101.6265      261.3691 51.11871 24.44015 70.02721 32.51694 -18.90850      40.67766 
1 1 1 -3  12  26 o 118.5211 34.78649 436.9251       209.9663 429.8396       307.1942 443.1375       287.6434 112.8137 42.23544 114.7488 41.20617 -1.935173      59.00662 
1 1 1 -3  12  27 o 92.03352 31.01349 256.7560       161.5924 419.7714       195.8464 -90.90617      286.0092 114.6029 33.58556 70.82806 33.25554 43.77486       47.26437 
1 1 1 -3  12  28 o 53.22499 24.95184 -88.07416      159.9473 -253.7540      195.6322 245.9696       277.7839 50.42631 24.63122 89.25259 37.75859 -38.82627      45.08224 
1 1 1 -3  12  29 o 119.9385 28.88451 449.5703       163.6405 515.3903       216.1413 361.1728       250.4831 120.8331 35.24707 97.87565 37.77992 22.95742       51.66893 
1 1 1 -3  12  30 o 108.6826 34.80636 445.4933       204.5546 240.8642       334.9631 567.1886       258.3155 83.70671 38.10444 115.6910 39.21096 -31.98425      54.67584 
1 1 1 -3  12  31 o 40.39660 19.98952 -233.9873      143.1376 -334.6766      176.5069 -40.57824      244.6293 42.25841 21.11874 62.16837 29.64613 -19.90996      36.39909 
1 1 1 -3  13  1  o 305.0472 8.953806 2238.855       130.4406 0.000000       0.000000 2238.855       130.4406 ?        ?        305.0472 8.953806 0.000000       8.953806 
1 1 1 -3  13  2  o 224.7007 11.66781 1221.795       124.9143 0.000000       0.000000 1221.795       124.9143 ?        ?        224.7007 11.66781 0.000000       11.66781 
1 1 1 -3  13  3  o 204.8669 9.719789 1012.308       94.92848 0.000000       0.000000 1012.308       94.92848 ?        ?        204.8669 9.719789 0.000000       9.719789 
1 1 1 -3  13  4  o 188.7336 11.22121 862.2341       100.7935 0.000000       0.000000 862.2341       100.7935 ?        ?        188.7336 11.22121 0.000000       11.22121 
1 1 1 -3  13  5  o 228.2410 9.473676 1255.660       103.1515 0.000000       0.000000 1255.660       103.1515 ?        ?        228.2410 9.473676 0.000000       9.473676 
1 1 1 -3  13  6  o 259.6726 12.44084 1634.258       153.9994 0.000000       0.000000 1634.258       153.9994 ?        ?        259.6726 12.44084 0.000000       12.44084 
1 1 1 -3  13  7  o 241.6762 10.09636 1409.512       116.3991 0.000000       0.000000 1409.512       116.3991 ?        ?        241.6762 10.09636 0.000000       10.09636 
1 1 1 -3  13  8  o 49.51039 19.01493 41.76354       63.22667 0.000000       0.000000 41.76354       63.22667 ?        ?        49.51039 19.01493 0.000000       19.01493 
1 1 1 -3  13  9  o 228.3026 10.00487 1258.461       108.9368 0.000000       0.000000 1258.461       108.9368 ?        ?        228.3026 10.00487 0.000000       10.00487 
1 1 1 -3  13  10 o 300.2389 7.852746 2167.539       112.6222 1967.752       207.3557 2251.136       134.1306 283.7044 15.34478 305.6485 9.189480 -21.94409      17.88600 
1 1 1 -3  13  11 o 272.3043 9.698785 1789.307       126.0625 1845.345       196.4644 1750.088       164.3595 274.7591 15.01332 268.3502 12.84837 6.408936       19.76058 
1 1 1 -3  13  12 o 157.4770 19.76823 622.2112       145.5599 568.0089       174.4280 746.5342       264.1694 148.0770 25.56251 165.6368 34.48196 -17.55984      42.92374 
1 1 1 -3  13  13 o 200.8634 15.42603 991.8268       147.0032 1042.492       170.5536 845.4248       289.9196 205.1372 17.55905 175.2432 35.81480 29.89400       39.88759 
1 1 1 -3  13  14 o 151.1942 15.71428 565.5834       111.9343 582.0184       136.9669 532.5336       194.2285 152.1459 19.26078 140.9092 29.76571 11.23666       35.45385 
1 1 1 -3  13  15 o 295.8051 13.37499 2135.671       188.6611 2054.240       233.4683 2288.908       320.2683 288.2706 17.01591 300.7625 22.43478 -12.49185      28.15778 
1 1 1 -3  13  16 o 320.4236 15.24825 2523.209       232.9190 2573.529       307.6713 2455.655       356.4885 320.3545 20.19122 309.7270 24.26820 10.62750       31.56946 
1 1 1 -3  13  17 o 196.3779 21.51269 980.6748       198.6726 1025.713       226.0028 827.5095       416.7750 199.3439 24.20956 160.8650 49.42697 38.47888       55.03752 
1 1 1 -3  13  18 f 64.88435 25.29918 75.89976       113.1909 15.36867       124.4741 365.1036       272.0771 58.88695 25.10752 114.3864 40.17554 -55.49945      47.37574 
1 1 1 -3  13  19 o 97.42468 32.91677 253.4982       182.0347 227.1715       197.2862 404.2924       472.1617 94.47905 34.10044 122.7796 50.35285 -28.30055      60.81324 
1 1 1 -3  13  20 o 94.51804 33.16243 236.5765       185.3464 109.6969       335.0762 292.5131       222.4823 93.74201 40.59440 103.1339 36.32115 -9.391937      54.47138 
1 1 1 -3  13  21 o 131.4922 38.36848 527.9430       256.0827 275.5521       355.0240 801.6838       369.7351 105.2448 43.46362 154.7890 46.34771 -49.54414      63.53894 
1 1 1 -3  13  22 o 271.3748 17.38157 1856.953       224.3249 1766.990       323.6820 1940.097       311.1743 255.7705 26.87119 270.8911 24.28444 -15.12062      36.21871 
1 1 1 -3  13  23 o 106.3563 29.25751 324.0284       153.4077 332.2274       212.0280 315.0212       222.2341 105.2440 35.52526 102.9124 36.29593 2.331558       50.78818 
1 1 1 -3  13  24 o 230.9134 17.29546 1356.612       189.5495 1299.633       215.8939 1548.277       395.9625 223.3554 20.44438 222.8792 38.55489 0.4761810      43.64003 
1 1 1 -3  13  25 o 63.73399 26.02984 71.65992       125.5286 75.76692       132.9307 37.83311       381.4989 65.26728 26.73634 85.91980 39.68222 -20.65252      47.84883 
1 1 1 -3  13  26 f 168.9975 19.42596 760.2088       154.1025 662.2725       179.5540 1034.082       300.2603 152.2557 25.57250 176.6776 36.74630 -24.42191      44.76877 
1 1 1 -3  13  27 o 45.03629 22.45744 -390.7531      194.8521 -239.9995      266.1377 -564.9279      286.0652 60.11934 29.22299 52.64820 26.39473 7.471138       39.37848 
1 1 1 -3  13  28 o 58.84306 26.39750 12.28269       153.9934 -115.7703      180.8805 349.5461       293.5496 53.85748 25.62927 93.84297 39.20205 -39.98550      46.83652 
1 1 1 -3  13  29 o 57.23809 27.03724 -61.95082      194.2206 39.83730       323.0456 -119.5709      243.0536 72.13164 34.30424 59.60896 28.71944 12.52267       44.73911 
1 1 1 -3  13  30 o 106.7934 30.90595 416.8596       166.7733 302.6308       215.1386 588.8608       263.9953 84.90469 34.29671 109.8623 39.47298 -24.95764      52.29130 
1 1 1 -3  14  1  o 265.9487 9.590039 1705.451       121.7349 0.000000       0.000000 1705.451       121.7349 ?        ?        265.9487 9.590039 0.000000       9.590039 
1 1 1 -3  14  2  o 344.2742 11.11696 2864.678       182.7381 0.000000       0.000000 2864.678       182.7381 ?        ?        344.2742 11.11696 0.000000       11.11696 
1 1 1 -3  14  3  o 243.1183 11.75977 1432.219       136.2808 0.000000       0.000000 1432.219       136.2808 ?        ?        243.1183 11.75977 0.000000       11.75977 
1 1 1 -3  14  4  o 352.7035 9.408418 2997.763       158.5064 0.000000       0.000000 2997.763       158.5064 ?        ?        352.7035 9.408418 0.000000       9.408418 
1 1 1 -3  14  5  o 167.8444 10.87155 682.9330       86.76890 0.000000       0.000000 682.9330       86.76890 ?        ?        167.8444 10.87155 0.000000       10.87155 
1 1 1 -3  14  6  o 295.3915 13.67787 2123.847       192.6389 0.000000       0.000000 2123.847       192.6389 ?        ?        295.3915 13.67787 0.000000       13.67787 
1 1 1 -3  14  7  o 101.5299 12.73389 253.6960       60.45473 0.000000       0.000000 253.6960       60.45473 ?        ?        101.5299 12.73389 0.000000       12.73389 
1 1 1 -3  14  8  o 86.48783 14.28275 186.6999       56.99789 0.000000       0.000000 186.6999       56.99789 ?        ?        86.48783 14.28275 0.000000       14.28275 
1 1 1 -3  14  9  o 85.57825 18.92848 187.6666       75.38771 0.000000       0.000000 187.6666       75.38771 ?        ?        85.57825 18.92848 0.000000       18.92848 
1 1 1 -3  14  10 o 213.3096 10.89143 1103.228       110.7042 0.000000       0.000000 1103.228       110.7042 ?        ?        213.3096 10.89143 0.000000       10.89143 
1 1 1 -3  14  11 o 126.4051 11.41666 390.1007       68.25115 338.9426       116.0242 417.1705       84.39825 114.5699 21.98143 130.1534 13.77211 -15.58352      25.93944 
1 1 1 -3  14  12 o 217.3002 10.90204 1145.855       112.8981 1078.484       187.6010 1184.108       141.3617 207.6145 19.11474 220.0395 13.50265 -12.42503      23.40288 
1 1 1 -3  14  13 o 154.8934 20.97009 610.5230       151.3042 708.5409       179.2105 367.2384       282.3372 165.9729 23.21935 115.4974 40.89462 50.47553       47.02667 
1 1 1 -3  14  14 o 356.0667 15.14381 3114.813       257.2065 3015.197       348.8127 3233.520       380.7752 345.8838 21.19553 357.1498 22.41326 -11.26602      30.84809 
1 1 1 -3  14  15 o 251.9856 14.19362 1557.773       170.3013 1446.244       218.9946 1728.411       270.8799 240.2145 19.22938 260.9782 21.91238 -20.76367      29.15341 
1 1 1 -3  14  16 o 176.2012 17.70670 777.1049       147.1409 797.2581       160.1704 668.1358       372.4448 177.8334 19.14012 145.7586 46.99362 32.07487       50.74194 
1 1 1 -3  14  17 o 184.9765 19.07574 864.2035       166.2801 809.0858       216.4568 943.5575       259.7229 174.5688 26.78984 186.4019 30.17478 -11.83308      40.35112 
1 1 1 -3  14  18 o 185.3223 17.74957 865.0123       155.3422 945.3771       178.8068 617.6732       313.6876 192.7117 19.68354 140.0508 42.85252 52.66086       47.15697 
1 1 1 -3  14  19 o 232.8015 18.47714 1372.973       203.9644 1472.366       222.4296 847.8040       511.2866 240.3459 19.52545 148.5385 54.69837 91.80734       58.07887 
1 1 1 -3  14  20 o 75.98160 31.33338 98.34907       184.1540 331.3953       230.1972 -315.9078      306.9120 105.8303 36.97022 66.70177 32.17071 39.12857       49.00767 
1 1 1 -3  14  21 o 180.8640 24.05632 874.9861       202.8591 750.7731       312.6046 965.3451       266.6230 151.1874 41.83317 183.5764 31.51353 -32.38902      52.37477 
1 1 1 -3  14  22 f 63.37298 30.38878 -239.3499      264.8262 -384.9685      362.0259 -71.73658      388.4055 69.59249 33.88549 83.85816 39.17275 -14.26567      51.79509 
1 1 1 -3  14  23 o 86.15021 33.48177 201.3766       197.7420 27.64847       384.9369 263.6560       230.4766 86.01015 39.77225 94.20186 36.27190 -8.191711      53.82827 
1 1 1 -3  14  24 o 364.2282 18.05517 3453.633       313.4207 3370.534       443.0453 3536.880       443.4424 342.4903 27.28311 352.5039 26.50684 -10.01358      38.03920 
1 1 1 -3  14  25 o 104.9523 35.63097 387.0316       213.3075 404.2986       252.3022 343.7603       399.4046 104.1871 38.41399 96.40707 42.93126 7.780060       57.60839 
1 1 1 -3  14  26 o 127.6355 23.74745 469.8466       139.5778 485.8635       158.8840 415.6930       292.1487 126.6172 27.06741 100.8455 40.23023 25.77166       48.48831 
1 1 1 -3  14  27 o 61.89501 25.88288 81.30753       128.1626 113.0015       142.2763 -55.08379      295.1468 66.93334 27.56544 67.63847 32.33928 -0.7051239     42.49332 
1 1 1 -3  14  28 o 59.92166 27.76757 4.889335       189.1195 -220.9219      295.7483 161.1034       245.9855 59.56920 29.33637 73.84143 33.22485 -14.27223      44.32283 
1 1 1 -3  15  1  o 154.0701 11.34513 577.4140       82.98122 0.000000       0.000000 577.4140       82.98122 ?        ?        154.0701 11.34513 0.000000       11.34513 
1 1 1 -3  15  2  o 138.9026 11.59092 470.3037       76.27174 0.000000       0.000000 470.3037       76.27174 ?        ?        138.9026 11.59092 0.000000       11.59092 
1 1 1 -3  15  3  o 331.9955 9.507743 2660.175       150.7546 0.000000       0.000000 2660.175       150.7546 ?        ?        331.9955 9.507743 0.000000       9.507743 
1 1 1 -3  15  4  o 221.2368 9.987070 1183.922       105.3617 0.000000       0.000000 1183.922       105.3617 ?        ?        221.2368 9.987070 0.000000       9.987070 
1 1 1 -3  15  5  o 311.1462 12.08659 2351.698       179.4527 0.000000       0.000000 2351.698       179.4527 ?        ?        311.1462 12.08659 0.000000       12.08659 
1 1 1 -3  15  6  f 143.8783 12.88203 507.0804       87.67440 0.000000       0.000000 507.0804       87.67440 ?        ?        143.8783 12.88203 0.000000       12.88203 
1 1 1 -3  15  7  o 180.4665 11.71657 792.8921       100.5430 0.000000       0.000000 792.8921       100.5430 ?        ?        180.4665 11.71657 0.000000       11.71657 
1 1 1 -3  15  8  f 52.33675 16.64396 66.53748       46.83873 0.000000       0.000000 66.53748       46.83873 ?        ?        52.33675 16.64396 0.000000       16.64396 
1 1 1 -3  15  9  o 185.0513 12.47363 835.9944       109.7106 0.000000       0.000000 835.9944       109.7106 ?        ?        185.0513 12.47363 0.000000       12.47363 
1 1 1 -3  15  10 o 218.9638 12.57218 1169.707       131.0574 0.000000       0.000000 1169.707       131.0574 ?        ?        218.9638 12.57218 0.000000       12.57218 
1 1 1 -3  15  11 o 146.3591 12.72511 525.0887       88.15681 0.000000       0.000000 525.0887       88.15681 ?        ?        146.3591 12.72511 0.000000       12.72511 
1 1 1 -3  15  12 o 234.3522 8.819884 1326.624       98.64264 1367.185       194.2198 1312.525       114.5116 234.4303 17.45416 232.6568 10.32066 1.773499       20.27717 
1 1 1 -3  15  13 o 249.3258 9.209024 1503.414       109.5828 1549.598       216.4436 1487.495       127.0725 248.9475 18.31382 247.4756 10.76591 1.471863       21.24385 
1 1 1 -3  15  14 o 125.3753 13.59598 389.0267       80.19209 589.4542       180.8184 339.9527       89.47246 148.6968 26.40213 116.1328 16.58540 32.56401       31.17929 
1 1 1 -3  15  15 o 231.0330 14.56636 1319.834       160.0726 1349.505       201.6100 1269.228       263.2967 231.3861 18.37577 219.1922 25.60728 12.19388       31.51827 
1 1 1 -3  15  16 o 165.6545 20.58545 707.5936       159.5249 753.4602       206.4837 639.6819       251.2524 167.0610 26.75508 146.9326 36.04419 20.12831       44.88895 
1 1 1 -3  15  17 o 127.3136 23.04621 431.1594       135.1129 402.7114       143.3000 658.9975       405.5399 121.6472 25.45831 136.4641 48.93667 -14.81695      55.16270 
1 1 1 -3  15  18 o 116.3447 23.00334 363.2743       123.4157 458.6366       139.9054 28.75782       262.0324 130.9650 23.19326 78.64040 34.91068 52.32462       41.91280 
1 1 1 -3  15  19 o 283.7501 17.41780 2040.127       235.1472 2047.747       260.6308 2006.779       545.2448 282.3550 19.42569 239.7607 49.21706 42.59428       52.91197 
1 1 1 -3  15  20 o 114.7720 32.95233 399.2759       190.2964 255.0213       235.2288 672.4922       323.7270 94.79686 36.60615 138.2019 43.73322 -43.40500      57.03161 
1 1 1 -3  15  21 o 133.3609 24.51579 494.6315       150.5504 635.6541       168.5007 -63.47661      335.2098 151.9618 23.98806 77.46873 36.25430 74.49303       43.47184 
1 1 1 -3  15  22 o 77.88502 28.87162 168.9185       142.8611 197.6556       152.0294 -48.01171      417.7018 82.37026 29.90629 81.85513 38.95098 0.5151367      49.10769 
1 1 1 -3  15  23 o 142.7703 22.28427 567.5024       147.1389 610.8544       176.8651 470.0542       265.1703 144.0257 26.66774 110.7000 39.58604 33.32569       47.73074 
1 1 1 -3  15  24 o 74.00832 31.61158 126.4357       197.9495 352.4555       333.2556 3.217432       246.0605 94.90807 40.78672 68.89005 31.83548 26.01801       51.74025 
1 1 1 -3  15  25 o 71.72964 33.62392 33.27348       290.3421 -127.9126      407.3231 199.7622       413.9690 72.32526 35.37360 83.57302 39.47571 -11.24776      53.00587 
1 1 1 -3  15  26 o 108.6863 41.51019 605.6461       300.1954 518.4438       429.2057 689.1574       420.0240 92.30495 42.43539 101.5542 44.67942 -9.249214      61.61990 
1 1 1 -3  16  1  o 264.3411 10.03624 1690.463       126.6061 0.000000       0.000000 1690.463       126.6061 ?        ?        264.3411 10.03624 0.000000       10.03624 
1 1 1 -3  16  2  o 268.7670 9.697027 1746.244       124.3972 0.000000       0.000000 1746.244       124.3972 ?        ?        268.7670 9.697027 0.000000       9.697027 
1 1 1 -3  16  3  f 149.6290 12.47222 547.7197       88.41049 0.000000       0.000000 547.7197       88.41049 ?        ?        149.6290 12.47222 0.000000       12.47222 
1 1 1 -3  16  4  o 62.87281 16.50852 100.8158       50.24671 0.000000       0.000000 100.8158       50.24671 ?        ?        62.87281 16.50852 0.000000       16.50852 
1 1 1 -3  16  5  o 158.4258 12.95680 615.0062       97.28036 0.000000       0.000000 615.0062       97.28036 ?        ?        158.4258 12.95680 0.000000       12.95680 
1 1 1 -3  16  6  o 84.77470 14.38079 180.3504       56.20428 0.000000       0.000000 180.3504       56.20428 ?        ?        84.77470 14.38079 0.000000       14.38079 
1 1 1 -3  16  7  o 163.9653 13.10588 659.5623       101.8823 0.000000       0.000000 659.5623       101.8823 ?        ?        163.9653 13.10588 0.000000       13.10588 
1 1 1 -3  16  8  o 194.0819 13.39490 924.2659       123.5267 0.000000       0.000000 924.2659       123.5267 ?        ?        194.0819 13.39490 0.000000       13.39490 
1 1 1 -3  16  9  o 219.1196 13.78417 1180.056       143.6693 0.000000       0.000000 1180.056       143.6693 ?        ?        219.1196 13.78417 0.000000       13.78417 
1 1 1 -3  16  10 o 215.1865 11.36465 1129.445       116.5029 0.000000       0.000000 1129.445       116.5029 ?        ?        215.1865 11.36465 0.000000       11.36465 
1 1 1 -3  16  11 o 41.98608 18.45082 -12.35574      71.44025 0.000000       0.000000 -12.35574      71.44025 ?        ?        41.98608 18.45082 0.000000       18.45082 
1 1 1 -3  16  12 f 127.2789 12.99654 400.9489       77.97596 0.000000       0.000000 400.9489       77.97596 ?        ?        127.2789 12.99654 0.000000       12.99654 
1 1 1 -3  16  13 f 72.70387 20.73993 138.8669       75.61894 0.000000       0.000000 138.8669       75.61894 ?        ?        72.70387 20.73993 0.000000       20.73993 
1 1 1 -3  16  14 o 38.52493 16.96167 -11.64070      60.63603 -57.05368      105.0803 11.02979       74.24404 46.05471 21.10763 46.02262 19.49761 0.3209686E-01  28.73480 
1 1 1 -3  16  15 o 80.76778 20.10128 173.1473       77.30998 -155.1713      188.2936 239.7166       84.78612 56.32177 26.60956 95.62367 19.21348 -39.30191      32.82113 
1 1 1 -3  16  16 f 104.4556 22.95458 295.1665       111.4980 214.9206       127.7776 551.2706       228.2713 87.97832 27.42499 134.7782 35.08850 -46.79990      44.53463 
1 1 1 -3  16  17 o 156.9201 19.98554 643.2256       146.5375 651.7947       156.0278 579.1443       426.6783 157.0855 21.32604 123.6857 48.85035 33.39981       53.30250 
1 1 1 -3  16  18 o 141.4008 26.61473 564.7753       173.3206 567.5381       220.8955 560.3500       279.5639 134.9254 34.20361 126.9978 40.69255 7.927597       53.15798 
1 1 1 -3  16  19 o 120.4348 25.85655 416.0490       144.4276 444.6085       150.4953 83.14069       513.8179 124.3911 26.13810 92.24895 43.69442 32.14215       50.91565 
1 1 1 -3  16  20 o 214.3660 17.86526 1204.609       181.4308 1205.341       208.0543 1202.286       370.6889 211.1118 20.88717 178.3845 43.79372 32.72733       48.51973 
1 1 1 -3  16  21 f 110.2929 28.63753 376.6292       152.3222 423.3164       157.9999 -238.1748      573.3583 117.3806 28.45410 81.49718 40.26883 35.88347       49.30735 
1 1 1 -3  16  22 f 82.45330 28.17881 211.4573       133.4459 192.1615       153.5729 270.9390       269.6343 79.25008 29.82198 88.42043 37.29303 -9.170349      47.75061 
1 1 1 -3  16  23 o 158.4952 21.33356 712.7300       157.5533 864.7337       190.0913 379.1635       281.5959 171.5687 23.81614 93.76515 38.71446 77.80359       45.45346 
1 1 1 -3  16  24 o 50.64825 23.46635 -33.11330      134.9825 -53.03814      157.9983 20.72408       259.7149 52.64961 24.71934 66.76111 31.45297 -14.11150      40.00419 
1 1 1 -3  17  1  o 308.9789 13.50716 2344.025       199.0447 0.000000       0.000000 2344.025       199.0447 ?        ?        308.9789 13.50716 0.000000       13.50716 
1 1 1 -3  17  2  o 313.8392 13.79247 2421.388       206.4409 0.000000       0.000000 2421.388       206.4409 ?        ?        313.8392 13.79247 0.000000       13.79247 
1 1 1 -3  17  3  o 102.3303 13.47423 260.7719       64.31970 0.000000       0.000000 260.7719       64.31970 ?        ?        102.3303 13.47423 0.000000       13.47423 
1 1 1 -3  17  4  o 179.7878 11.06567 789.0952       94.65353 0.000000       0.000000 789.0952       94.65353 ?        ?        179.7878 11.06567 0.000000       11.06567 
1 1 1 -3  17  5  f 127.6234 13.45386 403.7182       80.85544 0.000000       0.000000 403.7182       80.85544 ?        ?        127.6234 13.45386 0.000000       13.45386 
1 1 1 -3  17  6  o 86.60295 17.00705 192.7906       67.90180 0.000000       0.000000 192.7906       67.90180 ?        ?        86.60295 17.00705 0.000000       17.00705 
1 1 1 -3  17  7  o 160.1305 12.04366 629.9506       91.52644 0.000000       0.000000 629.9506       91.52644 ?        ?        160.1305 12.04366 0.000000       12.04366 
1 1 1 -3  17  8  o 193.7703 13.82432 929.1041       127.2264 0.000000       0.000000 929.1041       127.2264 ?        ?        193.7703 13.82432 0.000000       13.82432 
1 1 1 -3  17  9  o 184.7258 11.90798 837.8708       104.6054 0.000000       0.000000 837.8708       104.6054 ?        ?        184.7258 11.90798 0.000000       11.90798 
1 1 1 -3  17  10 o 226.6750 10.56561 1253.973       114.1852 0.000000       0.000000 1253.973       114.1852 ?        ?        226.6750 10.56561 0.000000       10.56561 
1 1 1 -3  17  11 o 221.0579 13.01751 1206.446       136.9669 0.000000       0.000000 1206.446       136.9669 ?        ?        221.0579 13.01751 0.000000       13.01751 
1 1 1 -3  17  12 o 87.74479 15.57018 197.1748       62.92459 0.000000       0.000000 197.1748       62.92459 ?        ?        87.74479 15.57018 0.000000       15.57018 
1 1 1 -3  17  13 o 184.7373 12.81186 845.7316       112.4544 0.000000       0.000000 845.7316       112.4544 ?        ?        184.7373 12.81186 0.000000       12.81186 
1 1 1 -3  17  14 o 45.98378 17.24267 43.02887       51.24187 0.000000       0.000000 43.02887       51.24187 ?        ?        45.98378 17.24267 0.000000       17.24267 
1 1 1 -3  17  15 o 124.9488 12.92472 391.6400       76.09451 381.4055       134.2506 396.4844       92.36465 116.4180 24.87566 124.2703 15.91096 -7.852211      29.52892 
1 1 1 -3  17  16 o 198.6163 10.13532 970.6160       95.92294 1067.954       221.9270 948.2534       106.3725 196.1019 24.18290 195.5586 11.42721 0.5432739      26.74685 
1 1 1 -3  17  17 o 74.95517 19.82513 154.5799       72.12463 -28.39454      127.7129 240.2633       87.39532 52.17679 23.66374 93.59921 20.12861 -41.42242      31.06660 
1 1 1 -3  17  18 o 52.44812 23.36379 -4.275102      118.3954 -0.3084768E-07 122.4958 -64.94434      461.4582 53.63309 23.83588 81.45538 39.32635 -27.82230      45.98598 
1 1 1 -3  17  19 o 125.3938 23.70975 452.3752       136.9324 536.5336       154.1995 138.4677       297.8071 135.9148 24.63753 80.56608 36.37635 55.34869       43.93457 
1 1 1 -3  17  20 o 55.92879 26.48922 -91.90186      188.7766 -122.4788      224.3147 -17.67671      349.4913 58.76751 28.12356 73.52607 35.16417 -14.75856      45.02726 
1 1 1 -3  17  21 o 81.36101 34.13379 237.1697       224.0016 256.8952       241.0870 112.6128       605.8206 82.99709 35.14715 81.69463 40.54723 1.302452       53.66005 
1 1 1 -3  17  22 o 66.82437 30.13335 88.95374       203.6039 164.2466       247.2234 -69.76717      358.9464 73.94130 33.28576 68.16145 33.30920 5.779846       47.08974 
1 1 1 -3  18  1  o 96.63669 14.24249 235.5090       63.83087 0.000000       0.000000 235.5090       63.83087 ?        ?        96.63669 14.24249 0.000000       14.24249 
1 1 1 -3  18  2  o 200.6673 11.05078 986.0257       105.6082 0.000000       0.000000 986.0257       105.6082 ?        ?        200.6673 11.05078 0.000000       11.05078 
1 1 1 -3  18  3  o 78.22070 21.90684 163.7929       85.16525 0.000000       0.000000 163.7929       85.16525 ?        ?        78.22070 21.90684 0.000000       21.90684 
1 1 1 -3  18  4  o 208.1804 11.54188 1064.038       114.4252 0.000000       0.000000 1064.038       114.4252 ?        ?        208.1804 11.54188 0.000000       11.54188 
1 1 1 -3  18  5  o 154.1824 12.61168 588.6261       92.15269 0.000000       0.000000 588.6261       92.15269 ?        ?        154.1824 12.61168 0.000000       12.61168 
1 1 1 -3  18  6  o 227.7423 10.50923 1268.752       114.1171 0.000000       0.000000 1268.752       114.1171 ?        ?        227.7423 10.50923 0.000000       10.50923 
1 1 1 -3  18  7  o 229.6665 10.24329 1289.867       112.1892 0.000000       0.000000 1289.867       112.1892 ?        ?        229.6665 10.24329 0.000000       10.24329 
1 1 1 -3  18  8  o 43.82312 16.23328 39.74134       45.14835 0.000000       0.000000 39.74134       45.14835 ?        ?        43.82312 16.23328 0.000000       16.23328 
1 1 1 -3  18  9  o 29.34623 13.32312 -21.10020      40.61139 0.000000       0.000000 -21.10020      40.61139 ?        ?        29.34623 13.32312 0.000000       13.32312 
1 1 1 -3  18  10 o 60.23208 20.46399 92.02448       70.36226 0.000000       0.000000 92.02448       70.36226 ?        ?        60.23208 20.46399 0.000000       20.46399 
1 1 1 -3  18  11 o 25.82167 12.07504 -33.68158      37.06888 0.000000       0.000000 -33.68158      37.06888 ?        ?        25.82167 12.07504 0.000000       12.07504 
1 1 1 -3  18  12 o 97.35761 20.69093 259.4716       93.33549 0.000000       0.000000 259.4716       93.33549 ?        ?        97.35761 20.69093 0.000000       20.69093 
1 1 1 -3  18  13 o 95.62464 15.85608 238.7207       69.95136 0.000000       0.000000 238.7207       69.95136 ?        ?        95.62464 15.85608 0.000000       15.85608 
1 1 1 -3  18  14 f 63.43554 22.36427 105.4447       84.36700 0.000000       0.000000 105.4447       84.36700 ?        ?        63.43554 22.36427 0.000000       22.36427 
1 1 1 -3  18  15 o 141.9515 14.64204 517.9889       97.94464 0.000000       0.000000 517.9889       97.94464 ?        ?        141.9515 14.64204 0.000000       14.64204 
1 1 1 -3  18  16 f 126.8753 16.58366 425.6767       98.18710 0.000000       0.000000 425.6767       98.18710 ?        ?        126.8753 16.58366 0.000000       16.58366 
1 1 1 -3  18  17 o 121.4270 16.61250 393.9107       93.91443 -126.4835      221.6006 507.8395       103.6863 58.02758 27.81833 138.6078 15.93642 -80.58023      32.05978 
1 1 1 -3  18  18 o 55.28905 18.59599 82.67709       58.09857 127.9518       221.8936 79.34483       60.19867 72.25730 32.09864 54.56439 18.91522 17.69291       37.25732 
1 1 1 -3  18  19 o 157.1744 12.36285 634.0200       92.15118 527.6503       167.6310 680.0858       110.3151 126.1832 28.46673 160.7842 14.50692 -34.60094      31.95004 
1 1 1 -3  19  1  o 132.2129 13.46417 440.5008       83.92009 0.000000       0.000000 440.5008       83.92009 ?        ?        132.2129 13.46417 0.000000       13.46417 
1 1 1 -3  19  2  o 83.83079 22.17448 195.3200       90.22686 0.000000       0.000000 195.3200       90.22686 ?        ?        83.83079 22.17448 0.000000       22.17448 
1 1 1 -3  19  3  o 196.5682 11.67745 958.5556       109.2466 0.000000       0.000000 958.5556       109.2466 ?        ?        196.5682 11.67745 0.000000       11.67745 
1 1 1 -3  19  4  o 76.90755 17.02621 156.9834       60.94804 0.000000       0.000000 156.9834       60.94804 ?        ?        76.90755 17.02621 0.000000       17.02621 
1 1 1 -3  19  5  o 190.9202 12.61253 911.1019       114.4782 0.000000       0.000000 911.1019       114.4782 ?        ?        190.9202 12.61253 0.000000       12.61253 
1 1 1 -3  19  6  o 173.8716 13.53895 762.0656       111.6574 0.000000       0.000000 762.0656       111.6574 ?        ?        173.8716 13.53895 0.000000       13.53895 
1 1 1 -3  19  7  o 177.6253 11.99711 787.2001       101.2826 0.000000       0.000000 787.2001       101.2826 ?        ?        177.6253 11.99711 0.000000       11.99711 
1 1 1 -3  19  8  o 165.1605 12.72933 685.5007       99.73750 0.000000       0.000000 685.5007       99.73750 ?        ?        165.1605 12.72933 0.000000       12.72933 
1 1 1 -3  19  9  o 101.6424 15.27180 268.5381       71.91953 0.000000       0.000000 268.5381       71.91953 ?        ?        101.6424 15.27180 0.000000       15.27180 
1 1 1 -3  19  10 o 71.72269 21.08534 144.3382       77.08823 0.000000       0.000000 144.3382       77.08823 ?        ?        71.72269 21.08534 0.000000       21.08534 
1 1 1 -3  19  11 f 173.4135 13.70834 767.8415       112.7280 0.000000       0.000000 767.8415       112.7280 ?        ?        173.4135 13.70834 0.000000       13.70834 
1 1 1 -3  19  12 o 85.89272 20.80520 210.2835       84.52140 0.000000       0.000000 210.2835       84.52140 ?        ?        85.89272 20.80520 0.000000       20.80520 
1 1 1 -3  19  13 o 52.81026 18.61237 71.61703       58.43055 0.000000       0.000000 71.61703       58.43055 ?        ?        52.81026 18.61237 0.000000       18.61237 
1 1 1 -3  19  14 o 59.39027 22.93165 90.18536       92.30469 0.000000       0.000000 90.18536       92.30469 ?        ?        59.39027 22.93165 0.000000       22.93165 
1 1 1 -3  19  15 o 152.7357 14.48127 611.9950       104.4808 0.000000       0.000000 611.9950       104.4808 ?        ?        152.7357 14.48127 0.000000       14.48127 
1 1 1 -3  20  1  o 111.0372 15.98243 325.7720       82.40300 0.000000       0.000000 325.7720       82.40300 ?        ?        111.0372 15.98243 0.000000       15.98243 
1 1 1 -3  20  2  o 68.99378 22.37674 136.1779       84.36852 0.000000       0.000000 136.1779       84.36852 ?        ?        68.99378 22.37674 0.000000       22.37674 
1 1 1 -3  20  3  o 42.24662 17.07360 28.28596       53.34576 0.000000       0.000000 28.28596       53.34576 ?        ?        42.24662 17.07360 0.000000       17.07360 
1 1 1 -3  20  4  o 107.6675 20.84482 327.3561       103.4199 0.000000       0.000000 327.3561       103.4199 ?        ?        107.6675 20.84482 0.000000       20.84482 
1 1 1 -3  20  5  o 77.57649 17.89627 166.0761       65.02293 0.000000       0.000000 166.0761       65.02293 ?        ?        77.57649 17.89627 0.000000       17.89627 
1 1 1 -3  20  6  o 57.82809 21.89309 83.74904       83.05234 0.000000       0.000000 83.74904       83.05234 ?        ?        57.82809 21.89309 0.000000       21.89309 
1 1 1 -3  20  7  o 92.06275 17.40560 231.4807       73.80328 0.000000       0.000000 231.4807       73.80328 ?        ?        92.06275 17.40560 0.000000       17.40560 
1 1 1 -2  -22 1  f 155.5702 13.75745 611.6277       101.2694 611.6277       101.2694 0.000000       0.000000 155.5702 13.75745 ?        ?        0.000000       13.75745 
1 1 1 -2  -22 2  o 87.57249 18.99035 207.4285       77.21317 207.4285       77.21317 0.000000       0.000000 87.57249 18.99035 ?        ?        0.000000       18.99035 
1 1 1 -2  -22 3  o 88.74295 21.79402 220.2593       91.78017 220.2593       91.78017 0.000000       0.000000 88.74295 21.79402 ?        ?        0.000000       21.79402 
1 1 1 -2  -22 4  o 65.63457 26.05452 97.44418       121.9487 97.44418       121.9487 0.000000       0.000000 65.63457 26.05452 ?        ?        0.000000       26.05452 
1 1 1 -2  -22 5  o 133.3028 14.83397 456.4502       92.93822 456.4502       92.93822 0.000000       0.000000 133.3028 14.83397 ?        ?        0.000000       14.83397 
1 1 1 -2  -21 1  o 179.3598 11.65672 792.5264       99.41476 792.5264       99.41476 0.000000       0.000000 179.3598 11.65672 ?        ?        0.000000       11.65672 
1 1 1 -2  -21 2  o 56.05955 19.85421 73.96517       66.55241 73.96517       66.55241 0.000000       0.000000 56.05955 19.85421 ?        ?        0.000000       19.85421 
1 1 1 -2  -21 3  o 81.90602 25.96300 184.8363       114.0518 184.8363       114.0518 0.000000       0.000000 81.90602 25.96300 ?        ?        0.000000       25.96300 
1 1 1 -2  -21 4  o 128.9903 14.32635 418.8184       86.86041 418.8184       86.86041 0.000000       0.000000 128.9903 14.32635 ?        ?        0.000000       14.32635 
1 1 1 -2  -21 5  o 221.0069 9.290718 1190.621       97.94756 1247.559       138.2110 1133.174       138.8286 224.2212 12.94818 213.2007 13.69254 11.02048       18.84518 
1 1 1 -2  -21 6  o 88.65070 19.73488 210.2307       81.49088 107.5412       137.7413 265.5294       101.0784 70.45586 27.77766 98.79852 21.96774 -28.34265      35.41441 
1 1 1 -2  -21 7  o 87.20602 14.65743 195.0037       58.94450 278.5074       101.4070 152.3935       72.43890 101.1819 21.61947 75.18401 19.86013 25.99792       29.35687 
1 1 1 -2  -21 8  o 111.5802 14.11428 316.1015       73.61117 102.7234       195.5254 351.3394       79.45722 74.91266 31.68460 117.5585 14.44045 -42.64583      34.82011 
1 1 1 -2  -21 9  o 81.87929 15.21097 174.2689       57.35278 204.9984       142.8691 168.3654       62.61992 83.91240 29.13704 79.74527 16.94771 4.167130       33.70745 
1 1 1 -2  -21 10 o 57.34213 16.98339 86.68599       49.85843 50.57132       122.4691 93.86073       54.58679 59.80273 25.17322 59.49400 17.80719 0.3087387      30.83484 
1 1 1 -2  -20 1  o 131.3669 14.05588 427.9789       86.90746 427.9789       86.90746 0.000000       0.000000 131.3669 14.05588 ?        ?        0.000000       14.05588 
1 1 1 -2  -20 2  o 274.3352 12.25327 1839.468       160.3041 1839.468       160.3041 0.000000       0.000000 274.3352 12.25327 ?        ?        0.000000       12.25327 
1 1 1 -2  -20 3  o 210.4311 11.35526 1080.526       113.8161 1080.526       113.8161 0.000000       0.000000 210.4311 11.35526 ?        ?        0.000000       11.35526 
1 1 1 -2  -20 4  o 66.97900 16.93619 115.8562       54.25669 120.4244       65.69340 106.0534       96.23306 68.17244 19.29227 67.12468 23.86436 1.047760       30.68711 
1 1 1 -2  -20 5  o 45.55821 19.01123 16.17327       68.92841 1.383768       103.7619 27.85440       92.21543 52.19774 22.59690 53.10413 22.06084 -0.9063873     31.58007 
1 1 1 -2  -20 6  o 300.0136 10.32339 2191.075       147.8509 2168.713       182.5052 2233.773       252.1911 296.9918 12.88418 297.7145 17.79955 -0.7226868     21.97330 
1 1 1 -2  -20 7  o 98.79623 13.62169 244.7639       62.62933 566.9633       170.7845 194.7021       67.31925 144.5889 25.64515 86.87331 16.81641 57.71559       30.66701 
1 1 1 -2  -20 8  o 111.7731 13.91259 313.2990       72.74051 255.0146       124.3467 343.6202       89.68723 95.71580 26.34505 116.0234 16.64479 -20.30764      31.16265 
1 1 1 -2  -20 9  o 112.7502 16.02344 323.9769       83.94456 51.63028       195.3011 385.6940       92.97072 72.09899 31.10623 123.1080 16.18804 -51.00900      35.06636 
1 1 1 -2  -20 10 o 120.5433 15.56894 368.8982       87.63100 437.2040       133.7759 317.5578       115.9787 127.5105 22.78044 108.0697 23.14486 19.44087       32.47511 
1 1 1 -2  -20 11 f 218.3476 12.84352 1181.968       133.4808 1134.079       210.5480 1214.150       172.5987 207.3266 21.55595 218.7047 16.63183 -11.37810      27.22639 
1 1 1 -2  -20 12 o 102.4841 18.63073 277.0854       87.92256 299.8907       242.1413 273.6220       94.36298 98.48329 37.35986 101.0172 20.24462 -2.533867      42.49240 
1 1 1 -2  -20 13 o 86.60117 19.51254 202.4186       78.84455 191.0865       156.4971 206.2734       91.27476 82.44702 30.27858 86.29891 22.04556 -3.851891      37.45396 
1 1 1 -2  -20 14 o 168.7998 13.28499 716.6492       106.3481 582.8002       152.4935 843.3887       148.3883 145.5399 22.65280 180.0744 17.45475 -34.53452      28.59751 
1 1 1 -2  -19 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -19 13 o 128.1011 19.18918 425.9482       113.9085 405.9846       249.6472 431.1971       128.0105 113.8106 38.54766 127.5195 21.77853 -13.70891      44.27444 
1 1 1 -2  -19 14 o 40.26363 18.19529 -30.71767      74.70069 -66.73114      98.91415 17.08700       113.9623 43.32649 20.07887 55.65705 23.88382 -12.33056      31.20253 
1 1 1 -2  -19 15 o 56.54714 21.61994 65.94996       81.49036 80.15614       110.4330 48.96659       120.7458 63.29501 24.89731 60.53983 25.20461 2.755177       35.42807 
1 1 1 -2  -19 16 o 66.71076 20.87889 118.6231       73.98092 86.30109       194.1166 124.1156       80.02026 73.48225 31.34306 68.15018 21.76392 5.332077       38.15830 
1 1 1 -2  -19 17 o 36.55891 16.19443 -11.47653      56.08451 351.0278       216.9731 -37.43142      58.05759 102.8695 35.89551 33.70311 15.53520 69.16640       39.11304 
1 1 1 -2  -18 1  o 240.4572 11.62248 1401.971       133.2162 1401.971       133.2162 0.000000       0.000000 240.4572 11.62248 ?        ?        0.000000       11.62248 
1 1 1 -2  -18 2  o 155.4349 9.831150 584.7425       72.68258 440.5854       96.72982 771.6756       110.1503 133.5282 15.43622 177.8783 13.04320 -44.35007      20.20896 
1 1 1 -2  -18 3  o 111.3120 9.877642 301.0340       52.02066 292.9122       66.13409 314.2143       84.24796 109.1622 12.92228 112.2906 16.15761 -3.128357      20.68946 
1 1 1 -2  -18 4  o 128.4631 9.708599 400.0347       59.18567 368.6237       81.86552 434.4300       85.66612 122.2850 14.27091 133.0353 13.66292 -10.75031      19.75688 
1 1 1 -2  -18 5  o 73.17316 18.55210 136.9926       64.98076 190.0820       106.1626 105.1864       82.17193 85.67963 24.61660 66.28719 22.11302 19.39243       33.09022 
1 1 1 -2  -18 6  o 131.6669 11.16000 422.1829       69.58934 453.2430       113.2164 403.3228       88.22248 134.5538 18.05492 127.8035 14.70647 6.750366       23.28649 
1 1 1 -2  -18 7  o 261.5020 11.91897 1661.085       148.6205 1749.916       218.6742 1584.829       202.6066 266.1216 17.28081 253.4276 16.81725 12.69397       24.11320 
1 1 1 -2  -18 8  o 30.60449 14.54545 -70.23335      57.89254 2.132252       92.73334 -116.4491      74.10793 50.20704 21.54490 32.35118 15.65323 17.85587       26.63093 
1 1 1 -2  -18 9  o 182.6160 10.80754 810.1390       93.93504 938.8707       157.7395 739.4014       116.9292 194.3772 17.14982 173.4071 14.22922 20.97009       22.28423 
1 1 1 -2  -18 10 o 240.0785 11.81157 1402.984       135.1556 1484.405       205.3145 1340.719       179.5448 244.2839 17.69995 232.8303 16.23130 11.45363       24.01548 
1 1 1 -2  -18 11 o 69.41003 16.39529 123.3958       53.53366 324.0249       114.7832 67.62360       60.51877 111.4588 22.31947 54.47837 18.96087 56.98047       29.28606 
1 1 1 -2  -18 12 o 56.41765 17.74955 78.63315       53.39703 -115.4606      115.4762 131.4217       60.22215 44.31046 20.90555 71.41955 17.72186 -27.10909      27.40632 
1 1 1 -2  -18 13 o 62.70738 18.63246 100.0104       59.93332 -231.1566      223.3629 125.7033       62.21479 59.41430 28.33152 69.73314 18.39826 -10.31884      33.78122 
1 1 1 -2  -18 14 o 65.66623 18.56346 111.3806       60.85640 61.67344       100.2190 140.4153       76.59489 59.94842 23.67570 73.27794 20.86339 -13.32952      31.55662 
1 1 1 -2  -18 15 o 135.7816 12.30738 455.0389       79.02727 429.4436       132.0727 469.3140       98.63292 127.4007 22.50651 136.7480 15.35141 -9.347282      27.24351 
1 1 1 -2  -18 16 o 161.8000 13.20187 649.2153       101.2358 552.9852       193.7052 685.3768       118.7432 139.4052 29.95669 165.3265 15.19279 -25.92131      33.58904 
1 1 1 -2  -18 17 o 111.0795 15.52207 313.4839       80.18366 297.1950       204.5189 316.4424       87.16187 100.2540 34.85838 110.9994 16.96225 -10.74546      38.76627 
1 1 1 -2  -18 18 o 138.3961 16.92824 491.1989       109.6777 202.4440       221.3109 585.2059       126.2752 88.26779 35.07966 150.6382 17.88223 -62.37044      39.37457 
1 1 1 -2  -18 19 o 46.25825 21.17259 -47.18155      105.2571 -910.2783      376.7993 25.86957       109.6210 57.11132 28.84423 55.15353 23.54019 1.957790       37.23077 
1 1 1 -2  -18 20 o 59.18277 20.77324 87.87959       72.73270 -1023.795      367.2619 133.2593       74.20236 53.63250 27.23795 69.87076 20.72501 -16.23826      34.22619 
1 1 1 -2  -17 1  f 465.1559 16.99953 5298.188       377.4093 5298.188       377.4093 0.000000       0.000000 465.1559 16.99953 ?        ?        0.000000       16.99953 
1 1 1 -2  -17 2  f 128.2969 8.483148 397.4464       51.74129 423.2904       67.83760 361.5002       80.00502 132.0141 10.84385 121.2406 14.06317 10.77353       17.75843 
1 1 1 -2  -17 3  o 136.6842 9.458140 451.9573       61.42509 414.4659       85.26458 492.4081       88.56584 129.9395 13.94303 141.9310 13.20354 -11.99149      19.20264 
1 1 1 -2  -17 4  o 171.2833 9.696384 708.9429       79.07802 766.7910       120.3232 664.9584       104.9192 177.0591 14.33673 165.0475 13.41199 12.01163       19.63220 
1 1 1 -2  -17 5  o 132.6204 10.23936 426.5583       64.41950 426.0518       95.44411 426.9820       87.30489 131.3427 15.49777 131.8571 14.06622 -0.5143280     20.92939 
1 1 1 -2  -17 6  o 309.0339 13.00739 2319.321       191.7487 2279.327       275.6127 2356.839       266.9424 303.6296 19.08309 309.2604 18.13405 -5.630768      26.32505 
1 1 1 -2  -17 7  o 136.1137 12.61108 452.4827       81.13275 413.3006       152.9306 467.8300       95.71238 125.8236 26.27226 137.8964 14.74667 -12.07287      30.12799 
1 1 1 -2  -17 8  o 161.9230 10.77346 635.5707       82.92678 711.3199       133.2788 587.7205       105.9288 169.7853 16.63237 154.8030 14.48091 14.98228       22.05294 
1 1 1 -2  -17 9  o 350.2106 8.789833 2953.069       147.0533 2785.285       239.9917 3053.934       186.0770 337.8366 14.89533 355.4378 10.96328 -17.60120      18.49498 
1 1 1 -2  -17 10 o 191.8176 10.43534 890.5952       95.33771 952.7317       162.3499 857.8890       117.7859 196.2774 17.48390 187.5467 13.22109 8.730652       21.91994 
1 1 1 -2  -17 11 o 335.9741 8.858781 2720.304       142.1703 2440.822       245.8401 2860.739       174.2666 315.1531 16.37247 343.9421 10.61060 -28.78900      19.51007 
1 1 1 -2  -17 12 f 223.1687 11.29924 1209.307       120.1643 1412.216       186.4751 1065.214       157.1412 239.2189 16.40414 207.8059 15.93865 31.41302       22.87218 
1 1 1 -2  -17 13 o 138.5017 13.12881 471.0749       85.89590 614.4644       202.9783 439.7952       94.80296 151.5423 29.07328 133.1923 15.15728 18.35002       32.78717 
1 1 1 -2  -17 14 o 126.3117 12.15725 391.2674       72.50967 337.8235       120.3071 421.7562       90.86834 113.7283 22.91933 130.4081 14.83829 -16.67985      27.30331 
1 1 1 -2  -17 15 o 189.4787 12.43905 877.6663       112.0592 766.4476       189.1257 937.8354       139.1068 172.1388 23.60144 194.9135 15.04423 -22.77466      27.98852 
1 1 1 -2  -17 16 o 163.7348 12.49789 657.2933       97.09389 591.8707       158.4173 696.6552       122.8786 151.1251 22.62050 167.4850 15.52250 -16.35991      27.43419 
1 1 1 -2  -17 17 o 130.0015 17.75753 429.3374       107.4852 493.8380       189.6726 398.8256       130.4539 132.7617 30.52200 122.8433 23.05915 9.918411       38.25333 
1 1 1 -2  -17 18 o 182.6545 15.70634 835.6907       135.8251 400.3785       316.7683 933.7550       150.3476 113.8847 42.83554 192.7071 16.47682 -78.82246      45.89520 
1 1 1 -2  -17 19 o 342.4092 15.11539 2924.377       246.8320 2920.455       373.8333 2927.409       328.6599 332.3478 23.68274 336.7781 20.50966 -4.430298      31.32919 
1 1 1 -2  -17 20 o 89.18784 20.41807 212.7981       85.17923 354.0285       219.9678 187.8847       92.38718 107.0877 36.18425 83.06982 22.64599 24.01783       42.68654 
1 1 1 -2  -17 21 o 207.4748 14.98241 1086.524       147.6115 932.1857       278.0819 1147.073       174.1761 173.7024 34.70060 211.2921 17.39633 -37.58966      38.81706 
1 1 1 -2  -17 22 f 74.33038 23.08383 153.1908       90.61990 -141.9544      250.0699 197.8076       97.22842 64.05706 30.38254 83.75228 23.38915 -19.69522      38.34254 
1 1 1 -2  -16 1  o 158.3371 7.949011 603.3722       59.98088 632.6714       78.66962 562.6923       92.69773 161.7955 10.22253 152.0443 12.87323 9.751190       16.43838 
1 1 1 -2  -16 2  f 137.4459 8.268575 455.3226       54.08266 453.2072       70.13766 458.4250       84.93916 136.7272 10.81781 137.0711 13.12146 -0.3439484     17.00581 
1 1 1 -2  -16 3  o 173.0034 9.908912 722.6533       81.61476 801.6163       117.2315 648.3871       113.6913 181.4690 13.61162 162.8283 14.76492 18.64069       20.08180 
1 1 1 -2  -16 4  o 266.0797 9.121147 1704.221       115.8582 1575.866       207.2858 1762.537       139.7204 253.5953 17.19876 270.2161 10.83733 -16.62083      20.32843 
1 1 1 -2  -16 5  o 84.09763 13.20255 175.1100       51.33574 50.14518       95.34518 226.1262       60.91985 58.36912 23.08003 95.69768 13.70609 -37.32856      26.84296 
1 1 1 -2  -16 6  o 177.5914 10.62428 762.7398       89.79245 755.7170       136.2605 768.1302       119.3789 175.3666 16.44413 177.4230 14.19197 -2.056412      21.72145 
1 1 1 -2  -16 7  o 30.16134 12.99865 -2.991656      34.03233 -21.22363      75.93514 1.590917       38.06981 42.70961 18.88498 32.90873 13.95269 9.800880       23.48021 
1 1 1 -2  -16 8  o 100.2141 13.57315 247.6993       63.36040 252.3707       98.90582 244.4479       82.51519 99.21818 21.47488 98.41441 18.20793 0.8037643      28.15491 
1 1 1 -2  -16 9  o 166.2850 11.91388 671.7095       94.08644 647.2992       170.9997 682.3079       112.6752 159.8015 23.04773 167.0320 14.24561 -7.230469      27.09493 
1 1 1 -2  -16 10 o 185.4349 11.36092 833.6011       100.2360 763.1292       157.4273 881.6497       129.9907 175.1520 19.10955 189.9307 14.42341 -14.77875      23.94180 
1 1 1 -2  -16 11 o 313.0235 9.696615 2362.527       144.9377 2509.962       286.0537 2311.603       168.1151 318.9138 18.84544 309.1230 11.39491 9.790833       22.02259 
1 1 1 -2  -16 12 o 166.1383 11.10862 669.3887       87.72749 625.3317       143.6101 695.6165       110.8050 158.2429 19.38696 168.7167 13.85910 -10.47379      23.83125 
1 1 1 -2  -16 13 o 123.7489 11.94400 373.8296       69.78710 484.8839       128.5059 327.3779       83.11051 138.8247 19.93284 114.8768 15.53007 23.94788       25.26858 
1 1 1 -2  -16 14 o 64.98264 16.42109 107.3829       51.02924 65.27760       92.65088 125.7169       61.13793 60.04505 23.02898 70.16260 18.10523 -10.11755      29.29391 
1 1 1 -2  -16 15 o 182.3982 12.19037 810.8151       105.6928 1006.104       180.2039 708.4058       130.4952 200.6737 19.00967 169.1261 16.34230 31.54761       25.06867 
1 1 1 -2  -16 16 o 170.7397 12.37071 711.9636       100.2956 763.9070       147.5549 667.3551       136.7405 174.9297 17.89527 163.4366 17.78664 11.49310       25.23104 
1 1 1 -2  -16 17 o 186.2802 13.13870 850.0001       116.2606 900.5026       197.5189 823.2279       143.8119 187.5852 22.47091 181.9621 16.71795 5.623169       28.00771 
1 1 1 -2  -16 18 o 161.1842 16.68034 648.1718       126.6839 535.8666       307.4325 671.1418       139.0371 133.4641 42.66311 163.4531 18.09486 -29.98900      46.34182 
1 1 1 -2  -16 19 o 252.4818 13.46765 1565.906       161.9780 1643.159       269.6870 1522.311       202.5893 252.6934 22.56030 246.8105 17.27812 5.882919       28.41655 
1 1 1 -2  -16 20 o 51.93684 21.06594 36.27593       81.54506 57.00901       203.9696 32.33170       88.96407 74.79156 32.02084 52.94828 21.80081 21.84328       38.73771 
1 1 1 -2  -16 21 o 61.35317 26.42803 21.54178       140.5403 506.4670       374.5843 -57.90318      151.6161 121.8360 46.40851 56.06178 25.56482 65.77422       52.98405 
1 1 1 -2  -16 22 o 102.5318 22.49286 284.5200       107.2204 -32.21478      386.2830 310.9598       111.6059 85.73951 39.71520 107.3131 22.47473 -21.57362      45.63343 
1 1 1 -2  -16 23 o 113.4428 29.48977 380.8257       161.3976 639.7278       389.3358 327.1014       177.3544 126.6141 47.51771 103.3607 32.32396 23.25339       57.46974 
1 1 1 -2  -16 24 o 62.08760 24.32326 82.88898       105.0328 -174.2340      408.4611 101.0944       108.6876 77.63633 37.36068 65.41241 24.97851 12.22392       44.94159 
1 1 1 -2  -15 1  o 192.4767 7.298765 889.6971       67.04222 995.6243       88.23875 745.0462       103.1137 203.3775 9.098064 175.3123 12.38222 28.06520       15.36536 
1 1 1 -2  -15 2  o 525.4177 7.458903 6621.447       187.3648 6340.980       257.0903 6939.163       273.6302 513.3297 10.47565 536.9338 10.65945 -23.60419      14.94534 
1 1 1 -2  -15 3  o 171.5633 8.523388 708.4485       69.69200 673.1422       108.7191 733.0765       90.80186 166.2910 13.79919 174.1435 10.96196 -7.852463      17.62335 
1 1 1 -2  -15 4  o 383.9040 9.693287 3545.732       177.7684 3567.454       202.2220 3471.856       372.9280 384.7245 11.00568 375.5652 20.85161 9.159332       23.57784 
1 1 1 -2  -15 5  o 222.5925 8.385920 1191.265       89.08248 1237.439       133.5383 1154.240       119.5780 226.1090 12.40068 218.5479 11.48479 7.561050       16.90199 
1 1 1 -2  -15 6  o 192.3091 9.119266 890.6492       83.60436 750.1713       133.7939 980.6396       107.0855 175.0048 16.17401 201.4508 11.16232 -26.44592      19.65187 
1 1 1 -2  -15 7  o 131.8694 10.56905 421.3024       66.07542 426.2821       104.8374 418.0206       85.10712 131.2645 17.11256 130.7349 13.82574 0.5295410      21.99979 
1 1 1 -2  -15 8  o 291.6576 9.408578 2047.467       131.0198 2233.959       251.7478 1978.190       153.4374 302.1641 17.50157 286.2565 11.23340 15.90756       20.79649 
1 1 1 -2  -15 9  o 204.0418 11.18352 1006.614       108.6781 1088.570       172.9869 953.1746       139.6863 210.5861 17.33543 197.6649 14.89090 12.92116       22.85292 
1 1 1 -2  -15 10 o 157.8832 10.78568 603.4632       80.92365 674.5065       130.8959 559.5112       102.9566 165.5556 16.76865 151.2363 14.41342 14.31934       22.11186 
1 1 1 -2  -15 11 f 114.9867 12.74140 323.5985       68.87027 394.1662       109.6247 277.5866       88.51969 125.4999 18.85295 105.0653 18.28659 20.43463       26.26468 
1 1 1 -2  -15 12 o 64.41077 20.71137 100.5370       72.37626 62.67427       163.7558 109.7288       80.68464 72.51035 29.68582 67.35778 21.88554 5.152565       36.88123 
1 1 1 -2  -15 13 o 103.0645 16.13202 264.9619       76.88364 218.5927       118.1219 299.0458       101.2723 91.83485 25.82826 108.4877 20.27067 -16.65282      32.83290 
1 1 1 -2  -15 14 o 132.7579 13.35474 431.4962       83.61221 297.2759       154.5022 487.0849       99.43037 106.1122 29.42831 140.7142 15.01149 -34.60203      33.03589 
1 1 1 -2  -15 15 o 112.6598 15.41615 314.6617       80.85786 280.5604       111.4486 352.5610       117.4911 104.2260 22.98484 117.5243 21.71027 -13.29828      31.61706 
1 1 1 -2  -15 16 o 201.7048 11.89263 987.7109       114.1750 891.7234       186.2607 1045.488       144.5080 188.5474 21.02000 206.7122 14.71865 -18.16475      25.66084 
1 1 1 -2  -15 17 o 113.8453 16.32212 323.6493       86.30026 201.9072       118.7604 459.8668       125.6225 88.12672 26.23899 134.8052 20.10572 -46.67844      33.05639 
1 1 1 -2  -15 18 o 38.10167 17.06569 -25.35756      64.08389 188.4119       102.4236 -162.8761      82.15002 84.95876 24.10499 31.78716 15.61619 53.17161       28.72135 
1 1 1 -2  -15 19 o 180.8340 14.57130 805.3362       124.9099 52.61630       213.4650 1197.273       154.0345 77.55029 32.96587 220.6564 14.68492 -143.1061      36.08872 
1 1 1 -2  -15 20 o 83.85023 22.57681 184.4660       92.50392 -92.55556      347.3766 205.6094       95.96915 84.20268 38.51109 88.42181 22.61465 -4.219131      44.66012 
1 1 1 -2  -15 21 o 59.20922 25.02582 25.19986       121.8427 -120.5443      217.7761 91.60909       147.0039 64.46751 29.84727 71.72061 28.56189 -7.253105      41.31151 
1 1 1 -2  -15 22 o 137.4665 16.42878 476.8803       105.8367 803.5859       229.2565 388.3934       119.3116 170.6579 29.14433 121.7342 21.27439 48.92378       36.08312 
1 1 1 -2  -15 23 o 64.88332 26.87942 58.87825       136.3662 -394.2067      368.8630 130.6061       146.7639 70.81647 34.41831 75.52075 28.97907 -4.704277      44.99341 
1 1 1 -2  -15 24 o 70.93684 22.94511 132.5824       88.74430 -339.9458      673.7443 140.9253       89.52431 93.62714 45.72814 72.75852 22.99484 20.86862       51.18423 
1 1 1 -2  -15 25 o 58.05610 25.74740 -2.741086      142.1814 29.31292       708.4708 -4.086256      145.1341 99.34420 48.14681 58.43786 25.95967 40.90634       54.69936 
1 1 1 -2  -15 26 o 66.66132 24.00993 114.7092       97.74305 -199.3903      597.2366 123.3537       99.07893 86.86626 42.55835 68.36324 24.22360 18.50303       48.96934 
1 1 1 -2  -14 1  o 494.8042 7.390816 5867.703       174.8373 6028.813       246.8328 5705.480       247.6839 500.9404 10.30643 487.2438 10.63269 13.69659       14.80799 
1 1 1 -2  -14 2  o 82.95713 11.70548 168.7984       45.13617 168.0319       59.69635 169.8214       68.96694 82.00467 15.79951 82.08436 18.06490 -0.7968903E-01 23.99927 
1 1 1 -2  -14 3  o 287.1038 9.052593 1980.422       124.1015 1952.861       233.3187 1991.296       146.5520 283.2025 17.31509 287.6082 10.67669 -4.405640      20.34218 
1 1 1 -2  -14 4  o 216.8378 8.894414 1130.416       92.01060 1042.763       153.6234 1179.448       114.8988 206.9891 15.63963 221.1858 10.89907 -14.19672      19.06273 
1 1 1 -2  -14 5  o 399.2100 15.09181 3861.363       287.5203 3857.858       407.6941 3864.832       405.5445 396.2645 21.60162 396.6916 21.46336 -0.4270935     30.45170 
1 1 1 -2  -14 6  o 260.2556 11.63677 1634.489       144.4245 1547.001       205.8544 1719.296       202.6769 251.7713 17.20535 265.8334 16.02164 -14.06206      23.50993 
1 1 1 -2  -14 7  o 256.3437 9.242533 1580.559       113.0864 1720.750       206.4204 1520.439       135.1771 265.7892 16.32326 251.0313 11.29225 14.75792       19.84852 
1 1 1 -2  -14 8  o 226.6176 10.54716 1238.323       113.9580 1482.269       168.4471 1032.450       154.7452 247.1201 14.31895 205.7164 15.85631 41.40372       21.36481 
1 1 1 -2  -14 9  f 160.6790 11.00579 624.5209       84.03462 671.1287       157.5003 605.9724       99.35904 164.3156 20.49331 157.8352 13.29062 6.480392       24.42574 
1 1 1 -2  -14 10 o 62.08980 16.20857 97.07709       48.62177 166.3667       145.2791 88.33701       51.59726 84.62329 29.38189 59.57563 17.17541 25.04766       34.03366 
1 1 1 -2  -14 11 o 277.6373 12.34765 1864.179       163.4868 1845.828       238.5399 1880.436       224.5079 274.3836 18.28863 277.4195 17.00902 -3.035889      24.97560 
1 1 1 -2  -14 12 o 219.4012 10.50020 1161.724       109.8203 1307.868       180.8184 1076.306       138.2372 231.2755 16.46086 210.4220 13.81768 20.85356       21.49159 
1 1 1 -2  -14 13 o 100.6060 18.78845 255.3122       87.04732 251.2366       154.3203 257.2141       105.4189 98.78920 30.02289 100.1137 22.56651 -1.324463      37.55824 
1 1 1 -2  -14 14 o 209.5851 11.48278 1063.268       114.6182 957.5828       167.7063 1155.902       157.0110 197.0558 17.99984 217.5596 15.19079 -20.50380      23.55323 
1 1 1 -2  -14 15 o 42.49461 17.50966 14.70831       57.44476 100.9651       145.0184 -1.345379      62.56246 74.39462 28.73836 41.32055 17.71327 33.07408       33.75875 
1 1 1 -2  -14 16 o 190.5496 11.44994 880.1144       103.8273 771.5169       155.2876 967.9111       139.6259 176.2950 18.70950 198.9700 14.78374 -22.67503      23.84542 
1 1 1 -2  -14 17 o 142.4735 13.58517 496.7107       91.41641 398.5755       129.2002 595.0958       129.3646 124.9173 22.45938 154.8741 17.79434 -29.95680      28.65418 
1 1 1 -2  -14 18 o 284.2059 10.40352 1951.026       141.1199 1652.096       225.7751 2142.694       180.7867 258.6302 18.37923 297.0932 12.75789 -38.46301      22.37320 
1 1 1 -2  -14 19 o 98.29980 16.06251 242.2203       72.88281 209.1338       125.6050 259.0151       89.48873 89.72097 27.04774 100.8189 19.26819 -11.09791      33.20909 
1 1 1 -2  -14 20 o 294.9553 13.23865 2122.030       186.2087 2202.691       275.1033 2053.829       252.9652 297.1189 19.47411 287.4502 18.50561 9.668671       26.86445 
1 1 1 -2  -14 21 f 73.30112 26.88756 119.8058       123.3479 -406.0872      356.0094 191.5484       131.4926 72.00755 34.70938 86.10107 27.93636 -14.09353      44.55537 
1 1 1 -2  -14 22 o 307.3525 15.93407 2333.266       233.3386 2379.940       443.1365 2315.360       274.4717 296.8785 31.71176 304.1420 18.97059 -7.263428      36.95293 
1 1 1 -2  -14 23 o 65.89429 26.49902 69.73096       127.8077 -443.5110      385.7947 133.0029       135.4568 73.08497 35.44599 75.99617 28.12412 -2.911201      45.24803 
1 1 1 -2  -14 24 o 128.3697 18.83429 424.1531       112.1540 0.000000       0.000000 424.1531       112.1540 ?        ?        128.3697 18.83429 0.000000       18.83429 
1 1 1 -2  -14 25 o 87.82822 28.79472 214.1248       139.5159 -282.0063      410.1832 279.0306       148.3615 78.40780 37.65633 98.80064 29.30510 -20.39285      47.71570 
1 1 1 -2  -14 26 o 85.76656 22.58288 201.5563       93.85614 196.9515       261.4084 202.2378       100.5614 89.93347 37.23257 85.53994 23.74893 4.393532       44.16193 
1 1 1 -2  -14 27 o 207.1064 16.54860 1100.626       162.4942 449.5099       313.0904 1340.671       190.1020 110.5353 42.34866 227.6813 17.60086 -117.1460      45.86065 
1 1 1 -2  -13 1  o 240.2139 10.95591 1388.181       125.4902 1393.470       177.9024 1382.944       177.0407 239.8935 15.59609 238.9851 15.58002 0.9083710      22.04484 
1 1 1 -2  -13 2  o 87.45747 11.32968 186.7330       46.25998 204.2800       77.59992 177.0594       57.61722 90.25507 18.60255 84.51809 14.79805 5.736977       23.77051 
1 1 1 -2  -13 3  o 129.3924 9.964688 404.0894       61.16809 373.0739       90.89384 429.7623       82.69568 123.3700 15.77061 133.0043 13.17803 -9.634224      20.55171 
1 1 1 -2  -13 4  o 291.4658 12.01546 2045.799       167.0721 2213.597       237.3068 1880.886       235.2578 302.2419 16.48521 278.2162 17.78001 24.02573       24.24646 
1 1 1 -2  -13 5  o 347.2942 13.51752 2909.360       224.0127 3032.099       317.9013 2788.304       315.7137 353.0561 18.90281 338.3017 19.60402 14.75436       27.23296 
1 1 1 -2  -13 6  o 438.1836 9.611648 4608.250       201.3549 4549.666       473.6189 4621.175       222.4604 430.7159 23.08443 438.6057 10.60890 -7.889709      25.40550 
1 1 1 -2  -13 7  o 83.36406 13.85701 171.9613       53.28964 187.7842       78.62385 158.5159       72.47678 86.21421 19.52953 79.20351 19.31606 7.010704       27.46840 
1 1 1 -2  -13 8  o 365.5125 13.86290 3228.263       241.8114 3462.745       345.4904 3003.092       338.5609 376.7243 19.24623 350.3608 20.29908 26.36343       27.97267 
1 1 1 -2  -13 9  o 323.7178 9.425982 2518.748       145.7266 2660.535       294.2361 2472.665       167.7450 330.1055 18.72055 320.4313 10.96596 9.674164       21.69589 
1 1 1 -2  -13 10 o 147.3471 10.96651 525.2728       76.69955 557.5786       119.0228 502.3301       100.3029 150.6644 16.80987 143.3526 14.85004 7.311813       22.42979 
1 1 1 -2  -13 11 o 41.39903 18.43667 -26.78986      73.67197 -78.82393      138.2151 -6.139001      87.07240 53.67081 24.44917 48.14184 20.77007 5.528969       32.08049 
1 1 1 -2  -13 12 o 385.8317 10.00636 3582.184       184.4232 3662.089       392.4747 3559.541       208.9259 385.6394 21.37094 384.2364 11.38583 1.403015       24.21475 
1 1 1 -2  -13 13 o 311.7414 12.87164 2350.604       191.4263 2486.647       273.5816 2220.112       267.9419 318.8855 18.01832 300.9892 18.71263 17.89630       25.97734 
1 1 1 -2  -13 14 o 204.6142 11.42417 1012.307       111.3117 1000.500       165.7745 1022.001       150.2109 201.9304 17.33918 204.6359 15.46817 -2.705566      23.23600 
1 1 1 -2  -13 15 o 177.9944 11.19728 766.6672       94.80277 806.7357       140.7551 733.3983       128.2574 181.3708 16.40999 173.0612 15.67121 8.309586       22.69085 
1 1 1 -2  -13 16 o 155.8340 12.79604 591.1188       94.49458 520.9951       165.0338 625.3217       115.2583 142.6043 25.12400 159.7138 15.28071 -17.10950      29.40605 
1 1 1 -2  -13 17 o 172.2162 12.11361 720.3314       99.10074 625.2354       143.7892 806.3737       136.7731 158.3920 19.39227 181.2539 15.94595 -22.86189      25.10644 
1 1 1 -2  -13 18 o 53.37257 20.80670 45.60263       76.54905 108.2241       102.0635 -34.91753      115.7341 69.47252 24.58868 52.00657 23.13754 17.46595       33.76313 
1 1 1 -2  -13 19 o 119.0091 15.71082 350.8955       87.20842 321.9265       194.1458 358.2182       97.61015 110.1501 33.71427 119.7558 17.57099 -9.605644      38.01831 
1 1 1 -2  -13 20 o 193.4382 12.48568 909.9329       114.8516 830.7016       178.8293 965.5573       149.8385 181.9944 20.93367 198.2477 15.94343 -16.25328      26.31371 
1 1 1 -2  -13 21 o 54.60113 22.15300 35.84278       90.20820 105.3901       124.8259 -40.18410      130.5113 71.66299 26.90347 54.71233 24.44071 16.95066       36.34756 
1 1 1 -2  -13 22 o 178.3237 13.93783 780.3944       117.8830 1253.788       240.5055 630.7018       135.2427 221.8179 23.01279 158.7319 18.14712 63.08592       29.30711 
1 1 1 -2  -13 23 o 64.62278 26.57783 50.59177       132.0296 321.6971       635.3207 38.35498       134.9763 125.5235 55.09642 63.65194 26.58574 61.87158       61.17530 
1 1 1 -2  -13 24 o 226.7795 15.43052 1271.648       166.3022 1513.115       424.2062 1227.798       180.7728 227.5558 40.47597 221.9459 17.16981 5.609894       43.96711 
1 1 1 -2  -13 25 o 88.93188 27.42024 214.3635       128.1315 249.3575       251.0743 202.0402       148.9941 98.32016 37.85792 87.31086 29.77666 11.00930       48.16505 
1 1 1 -2  -13 26 o 56.48270 22.20263 57.16468       87.77023 -411.8500      268.5019 113.2779       92.87238 57.81904 28.36998 67.56979 23.49027 -9.750751      36.83271 
1 1 1 -2  -13 27 o 135.5418 22.95122 493.7035       143.4240 624.7573       271.7463 443.1017       168.8579 138.8466 39.21899 124.3216 28.95155 14.52499       48.74753 
1 1 1 -2  -13 28 o 120.2524 26.44129 413.0255       147.8678 592.4662       284.4061 346.5512       173.1034 129.5125 40.99225 106.2860 31.68641 23.22646       51.81113 
1 1 1 -2  -13 29 o 85.18943 23.01839 205.3615       95.95372 157.7811       178.5552 224.6815       113.7790 78.24878 31.37156 87.86465 25.55694 -9.615875      40.46395 
1 1 1 -2  -12 1  o 568.9982 10.35554 7761.778       281.7034 7706.346       302.1690 8129.909       778.7003 566.8318 11.15032 576.2841 28.35048 -9.452271      30.46440 
1 1 1 -2  -12 2  o 608.4535 21.24817 8970.694       617.1494 8736.477       872.9916 9204.686       872.5706 596.0819 30.73725 612.3400 29.89608 -16.25806      42.87836 
1 1 1 -2  -12 3  f 533.4880 7.682143 6814.864       195.9365 6466.236       278.7350 7155.412       275.4857 519.1679 11.22989 546.2492 10.54873 -27.08130      15.40733 
1 1 1 -2  -12 4  o 729.2308 10.39837 12752.77       362.5257 10660.92       1128.597 12993.44       382.8128 654.2750 36.22165 735.9679 10.87976 -81.69293      37.82032 
1 1 1 -2  -12 5  o 221.6448 9.073997 1179.339       95.95006 1243.273       162.2371 1144.947       118.9909 226.7619 15.04999 218.1069 11.45144 8.655014       18.91131 
1 1 1 -2  -12 6  o 210.1216 9.050646 1060.258       90.70663 986.4409       148.4483 1104.238       114.5856 201.7457 15.50981 214.1837 11.22936 -12.43797      19.14817 
1 1 1 -2  -12 7  o 230.3202 10.16665 1275.227       111.6726 1342.891       153.8586 1199.897       162.3404 235.8332 13.70514 222.5881 15.34912 13.24507       20.57733 
1 1 1 -2  -12 8  o 232.6549 10.43197 1301.893       115.7393 1370.944       161.8441 1229.617       165.5799 238.1313 14.28144 225.2520 15.46947 12.87932       21.05384 
1 1 1 -2  -12 9  o 139.5428 12.82657 472.4917       84.61433 427.8242       145.4131 495.3585       104.0424 130.2560 24.24247 142.4290 15.53061 -12.17291      28.79058 
1 1 1 -2  -12 10 o 250.0599 10.77588 1505.208       128.5241 1596.878       177.4747 1404.117       186.3727 256.8630 14.51096 240.4085 16.31186 16.45450       21.83220 
1 1 1 -2  -12 11 o 276.5176 9.770279 1838.472       128.9600 1579.312       227.9774 1960.420       156.3850 254.1874 18.89499 285.2390 11.49126 -31.05165      22.11492 
1 1 1 -2  -12 12 o 249.6434 11.70794 1503.662       139.3470 1583.218       203.9833 1434.051       190.8086 254.9434 16.82978 242.6612 16.54608 12.28224       23.60115 
1 1 1 -2  -12 13 o 122.0074 13.00110 363.1440       74.66904 333.9335       133.6247 376.4063       90.03811 114.0971 25.17277 123.7156 15.56659 -9.618462      29.59708 
1 1 1 -2  -12 14 o 124.4262 11.92036 376.4892       70.04420 198.5662       105.1330 518.5028       93.92649 88.21295 24.20228 145.8725 13.62574 -57.65959      27.77429 
1 1 1 -2  -12 15 o 197.6007 11.41856 943.8175       107.4124 814.3743       157.3273 1056.833       147.0056 181.8620 18.34529 208.3650 14.85452 -26.50302      23.60522 
1 1 1 -2  -12 16 o 182.0967 11.35988 802.2101       98.40469 764.7024       146.1181 833.3409       133.1189 176.3073 17.56867 184.7555 15.20517 -8.448212      23.23479 
1 1 1 -2  -12 17 o 80.66133 16.68054 164.0356       62.20060 196.7071       101.3690 144.3059       78.77356 87.58619 23.65602 75.45444 21.04568 12.13174       31.66272 
1 1 1 -2  -12 18 o 388.6801 15.35405 3678.009       284.7530 3558.677       407.6303 3791.739       397.9473 378.3152 22.64102 391.3754 21.34869 -13.06027      31.11884 
1 1 1 -2  -12 19 o 168.0957 14.83122 691.9419       117.9693 623.1884       203.7651 726.6051       144.6828 154.5967 28.62290 171.3709 17.92399 -16.77423      33.77188 
1 1 1 -2  -12 20 o 195.9907 12.06351 932.3882       112.4884 1092.005       174.9516 819.8961       146.8723 210.4592 17.54720 182.3360 17.04599 28.12321       24.46365 
1 1 1 -2  -12 21 o 178.7479 12.46116 777.0853       105.8229 987.3152       170.1364 644.4356       135.1459 199.8492 17.99949 161.1996 17.83389 38.64964       25.33830 
1 1 1 -2  -12 22 o 320.8089 13.57215 2504.537       207.6926 2802.815       305.6334 2248.615       283.1023 336.5559 19.07289 300.9516 19.78582 35.60434       27.48188 
1 1 1 -2  -12 23 o 166.7641 15.06229 685.4100       118.7954 898.6484       250.4192 623.4871       134.9462 184.1710 29.43082 157.8942 18.20984 26.27682       34.60884 
1 1 1 -2  -12 24 o 154.2383 17.25919 594.2272       125.0890 870.9102       534.9052 578.2209       128.6564 160.0366 56.32193 151.8101 18.08140 8.226501       59.15316 
1 1 1 -2  -12 25 o 119.4073 24.86650 377.6367       137.3379 337.7600       262.2278 392.7092       161.2172 110.7204 39.39060 120.2434 28.48469 -9.523079      48.61067 
1 1 1 -2  -12 26 o 50.18136 21.12621 16.33403       86.27591 -266.8405      245.8341 56.11106       92.13638 61.15013 29.31121 57.67058 22.72417 3.479549       37.08821 
1 1 1 -2  -12 27 o 99.34751 28.05152 276.3553       139.0485 161.5000       262.7481 321.0350       163.8773 89.46766 37.20872 105.8839 30.63456 -16.41619      48.19715 
1 1 1 -2  -12 28 o 45.24064 21.20262 -93.17772      115.3495 -438.5263      167.3292 219.5474       159.2297 40.00099 20.07281 88.76733 30.76356 -48.76634      36.73302 
1 1 1 -2  -12 29 o 52.28337 21.39451 38.44642       85.00426 -113.6261      166.4147 92.13158       98.87656 53.99858 25.35790 63.47519 23.91970 -9.476608      34.85936 
1 1 1 -2  -12 30 o 72.71385 23.75332 146.3840       94.97827 -240.1356      182.7717 289.3734       111.1668 49.36219 24.04442 101.2376 23.43197 -51.87541      33.57367 
1 1 1 -2  -11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -11 3  o 302.3372 12.44148 2196.792       179.4499 2007.259       254.0668 2385.473       253.4950 288.0136 18.54992 314.3793 16.92824 -26.36566      25.11304 
1 1 1 -2  -11 4  f 557.8127 19.49622 7515.786       519.1334 7868.010       734.6287 7164.449       733.7033 568.0244 27.13000 541.4434 28.44362 26.58099       39.30746 
1 1 1 -2  -11 5  o 120.6702 10.01292 351.3344       57.24590 322.7635       80.13995 381.1022       81.80145 114.9311 14.93799 125.2048 13.89963 -10.27370      20.40449 
1 1 1 -2  -11 6  o 634.9284 8.003402 9652.698       242.9449 9474.816       347.9859 9821.840       339.3295 628.4810 11.58140 639.9789 11.09041 -11.49792      16.03515 
1 1 1 -2  -11 7  o 287.3518 9.450423 1980.743       129.6530 2038.739       241.3009 1957.203       153.7291 290.3231 17.46553 285.4240 11.28794 4.899109       20.79573 
1 1 1 -2  -11 8  o 70.40980 14.85180 123.7290       48.41881 122.8617       79.97162 124.2310       60.83656 71.03286 21.61782 70.42259 18.00257 0.6102676      28.13223 
1 1 1 -2  -11 9  o 417.6194 15.60734 4207.447       311.0663 4260.307       442.3380 4155.730       437.5298 418.3016 22.19801 413.1094 22.23502 5.192200       31.41891 
1 1 1 -2  -11 10 o 313.9178 9.795524 2365.903       146.8318 2371.570       278.4560 2363.720       172.8094 312.5094 18.72325 313.5082 11.54923 -0.9988403     21.99874 
1 1 1 -2  -11 11 o 231.3610 11.45629 1289.124       126.3251 1307.177       184.9798 1273.347       172.9298 232.0012 16.79091 229.1543 15.88287 2.846863       23.11277 
1 1 1 -2  -11 12 o 168.6538 10.73347 685.9583       86.09644 680.5946       125.3638 690.7465       118.4478 167.1220 15.88088 168.5742 14.84857 -1.452118      21.74126 
1 1 1 -2  -11 13 o 293.7171 8.911713 2071.713       124.9960 2218.135       187.0362 1953.537       168.0294 303.1733 12.93378 284.5982 12.37898 18.57504       17.90312 
1 1 1 -2  -11 14 o 92.31492 16.05792 212.1236       68.29900 171.9461       88.94150 269.8646       106.6241 82.37462 22.11960 103.0658 22.28853 -20.69122      31.40152 
1 1 1 -2  -11 15 o 336.5510 10.10763 2725.335       162.4487 2661.887       310.5625 2749.235       190.6039 329.5769 19.80119 337.6200 11.82678 -8.043060      23.06426 
1 1 1 -2  -11 16 o 299.5859 10.35715 2161.484       148.1209 2166.694       263.8669 2159.086       178.9806 297.4993 18.64576 298.9016 12.55270 -1.402283      22.47743 
1 1 1 -2  -11 17 o 420.4190 16.04959 4297.509       322.0005 4237.621       458.8920 4355.597       451.9425 413.6505 23.29848 419.8132 22.60074 -6.162689      32.45940 
1 1 1 -2  -11 18 f 210.3508 11.91971 1070.775       119.3816 1022.667       177.4614 1110.543       161.3486 203.8354 18.40844 213.2243 15.94321 -9.388931      24.35275 
1 1 1 -2  -11 19 f 84.91455 19.68574 183.7081       78.35792 132.8574       186.2628 194.6426       86.37270 84.33917 32.57241 87.24850 20.96785 -2.909332      38.73774 
1 1 1 -2  -11 20 o 227.6637 11.84460 1255.144       128.4773 1054.567       199.2532 1397.879       168.0856 205.9292 20.51099 239.4646 14.75348 -33.53535      25.26591 
1 1 1 -2  -11 21 o 141.8815 13.79811 492.8372       92.41449 327.3447       148.4615 597.5289       118.0812 111.5323 27.91174 155.7371 16.09061 -44.20474      32.21759 
1 1 1 -2  -11 22 o 193.1648 13.58619 909.7092       124.6681 967.9061       186.1739 862.3990       167.8596 197.0860 20.03679 186.2746 19.11994 10.81139       27.69558 
1 1 1 -2  -11 23 o 172.3652 14.81375 728.5112       120.8910 1021.323       251.8930 640.8835       137.7979 199.0360 27.18075 160.5170 18.28159 38.51904       32.75683 
1 1 1 -2  -11 24 o 106.9599 26.60957 302.8585       135.5150 14.95211       265.1946 404.6062       157.6527 82.25047 35.86065 123.5763 27.40309 -41.32581      45.13220 
1 1 1 -2  -11 25 f 276.8797 14.74205 1881.231       194.4415 1920.499       331.3012 1860.597       240.1528 272.7654 25.70858 273.3484 18.48521 -0.5830688     31.66440 
1 1 1 -2  -11 26 o 97.06945 21.96516 246.7646       99.54744 98.06279       257.6652 272.8544       107.9275 86.54676 36.47679 101.9151 22.72961 -15.36832      42.97896 
1 1 1 -2  -11 27 o 89.14797 26.39720 212.7014       120.4614 19.57717       171.8555 399.2385       168.8993 67.58801 29.16983 120.2393 29.58641 -52.65125      41.54798 
1 1 1 -2  -11 28 o 57.72250 22.24847 64.16069       86.77650 124.9971       165.0614 40.92431       102.0113 77.17460 30.41364 56.86636 23.37208 20.30824       38.35680 
1 1 1 -2  -11 29 o 69.62508 23.48010 124.7549       92.62294 167.8790       176.7252 108.4230       108.7568 82.51852 31.76485 68.00468 25.19418 14.51383       40.54322 
1 1 1 -2  -11 30 o 45.50550 20.30525 -20.05821      89.81806 304.7103       183.5092 -122.3686      102.9985 100.1567 33.03352 39.73660 19.02718 60.42015       38.12148 
1 1 1 -2  -11 31 o 62.47763 23.80653 90.64138       98.59181 283.8008       202.5884 30.69652       112.8581 94.40284 34.48540 55.94696 23.88222 38.45588       41.94763 
1 1 1 -2  -10 1  o 406.8396 9.171606 3963.749       178.3927 3970.635       197.9422 3933.959       411.6802 407.1089 10.16996 403.1422 21.43668 3.966736       23.72676 
1 1 1 -2  -10 2  o 237.1345 8.349051 1347.884       94.50658 1359.587       113.9397 1322.079       169.1876 238.0195 10.03529 234.1090 15.19833 3.910553       18.21253 
1 1 1 -2  -10 3  o 400.1065 9.075489 3833.570       173.6017 3479.635       388.2896 3921.994       194.0796 379.0428 21.51525 404.6146 10.03298 -25.57184      23.73956 
1 1 1 -2  -10 4  o 306.3533 12.48799 2254.848       182.5207 2193.726       258.5113 2315.605       257.7369 301.3388 18.02627 309.7209 17.47686 -8.382111      25.10751 
1 1 1 -2  -10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -10 6  o 745.9077 10.92661 13335.93       389.6537 12671.30       1244.344 13408.19       410.2883 716.5084 36.44514 747.8215 11.47580 -31.31317      38.20919 
1 1 1 -2  -10 7  o 425.9284 7.987401 4343.091       162.6487 4020.692       236.2339 4633.667       224.2719 409.2452 12.08722 439.6895 10.66892 -30.44427      16.12224 
1 1 1 -2  -10 8  o 900.5500 8.936076 19423.91       384.7362 18693.96       549.1201 20127.75       539.2133 882.5082 13.01488 915.9235 12.31383 -33.41522      17.91696 
1 1 1 -2  -10 9  o 676.5935 23.40631 11108.58       755.9874 11044.38       1070.237 11172.50       1068.022 669.4087 33.54799 673.4529 33.27450 -4.044189      47.25103 
1 1 1 -2  -10 10 o 360.5513 14.12228 3129.137       242.9627 3117.564       346.1383 3140.378       341.1189 358.5739 20.27381 359.9805 19.89808 -1.406555      28.40706 
1 1 1 -2  -10 11 o 393.1430 14.99443 3725.084       281.3145 3744.261       400.7368 3706.451       395.0026 392.4949 21.43724 390.5631 21.23425 1.931824       30.17364 
1 1 1 -2  -10 12 o 403.9033 9.944406 3912.805       192.0280 3777.571       411.3235 3950.494       217.1441 393.7448 21.93717 405.5074 11.21135 -11.76260      24.63603 
1 1 1 -2  -10 13 o 265.3825 10.51025 1693.158       133.0865 1761.443       174.0351 1596.987       206.5362 270.1942 13.51554 256.5487 16.93376 13.64551       21.66615 
1 1 1 -2  -10 14 o 107.4776 12.50186 281.6010       63.04171 320.3083       95.95702 252.2072       83.61977 113.5949 18.28977 100.5654 18.05561 13.02954       25.70060 
1 1 1 -2  -10 15 o 364.7997 14.02363 3214.934       244.1257 3585.059       348.3279 2857.625       342.2443 383.5840 19.05377 341.6300 21.05656 41.95395       28.39762 
1 1 1 -2  -10 16 o 255.8757 11.39691 1578.669       139.0699 1615.938       192.0108 1537.545       201.6957 257.9131 15.64557 251.2224 16.89123 6.690674       23.02385 
1 1 1 -2  -10 17 o 330.5685 13.49605 2643.359       212.8445 2803.929       305.9451 2492.751       296.3015 338.5524 18.97803 318.9405 19.52550 19.61197       27.22886 
1 1 1 -2  -10 18 o 127.7788 15.37387 401.2391       92.03382 466.1246       126.7919 328.9806       133.8018 136.6844 19.99415 113.0681 25.37668 23.61629       32.30700 
1 1 1 -2  -10 19 o 111.3617 16.79257 308.0355       86.62778 496.6162       189.8244 258.4304       97.35684 138.0230 29.65136 100.8562 20.87908 37.16676       36.26485 
1 1 1 -2  -10 20 o 385.8187 14.99426 3617.178       276.0509 3840.925       397.4854 3408.713       383.6708 394.4514 21.15490 371.2196 21.71299 23.23181       30.31474 
1 1 1 -2  -10 21 o 151.6464 15.09543 563.9838       107.9906 785.6692       152.8687 343.1486       152.5753 178.3183 18.18567 114.4341 28.09781 63.88420       33.46947 
1 1 1 -2  -10 22 o 187.3190 14.53400 857.4740       129.1417 623.3921       243.1180 949.4852       152.4240 152.0850 34.26154 196.6125 16.36384 -44.52751      37.96879 
1 1 1 -2  -10 23 o 154.8526 16.04755 591.2032       117.0852 445.9794       256.8364 629.3016       131.5499 127.3955 38.73507 159.3502 17.55820 -31.95474      42.52877 
1 1 1 -2  -10 24 o 196.6923 14.53648 946.1821       135.7298 1015.439       202.7516 889.9399       182.7107 201.2404 21.40156 188.5939 20.59865 12.64642       29.70406 
1 1 1 -2  -10 25 o 130.8515 16.59307 425.9436       101.4732 410.4585       178.2168 433.3719       123.4356 123.5351 30.38806 130.7497 20.41330 -7.214600      36.60788 
1 1 1 -2  -10 26 o 165.1734 17.17303 679.6215       133.6337 718.1318       190.2294 642.1014       187.7680 166.4638 24.64655 156.5843 25.99317 9.879471       35.82035 
1 1 1 -2  -10 27 o 263.1682 14.24765 1700.753       178.5922 1807.534       262.0586 1608.151       244.0382 267.4979 20.65109 252.4030 20.39705 15.09492       29.02597 
1 1 1 -2  -10 28 o 51.85873 22.82526 -15.83724      109.7277 -201.4410      165.2862 130.4188       146.7236 50.11400 24.02470 77.01405 29.11217 -26.90004      37.74526 
1 1 1 -2  -10 29 o 40.57726 19.47552 -140.5875      109.3296 -471.2937      168.0871 101.9181       143.9376 39.42027 19.82689 71.86939 28.37677 -32.44912      34.61715 
1 1 1 -2  -10 30 o 85.31216 27.28817 201.4464       125.7596 384.1856       203.7189 88.92904       159.8546 112.3046 34.56551 71.34236 29.28258 40.96220       45.30169 
1 1 1 -2  -10 31 o 72.54993 27.16607 129.7530       127.1017 319.8784       204.1177 9.347496       162.4365 101.6732 34.84772 62.84233 27.71115 38.83090       44.52271 
1 1 1 -2  -10 32 o 59.12827 28.14981 -153.2329      218.6922 -106.0000      360.8060 -180.6627      274.9558 76.10978 36.21253 64.92902 31.08951 11.18076       47.72740 
1 1 1 -2  -9  1  o 396.1734 9.056892 3759.024       171.5430 3775.839       394.9286 3755.114       190.4473 394.8808 20.99461 395.7509 10.07390 -0.8701172     23.28642 
1 1 1 -2  -9  2  o 572.4475 9.821482 7850.310       268.7949 7451.513       753.5514 7908.449       287.7220 552.5743 28.62177 574.4781 10.47590 -21.90375      30.47868 
1 1 1 -2  -9  3  o 49.03841 10.51430 59.83047       23.91037 64.84366       34.13687 55.00235       33.50085 51.10935 13.69465 47.46116 13.88559 3.648190       19.50265 
1 1 1 -2  -9  4  o 665.7540 22.98661 10725.25       730.5417 10338.86       1033.316 11111.39       1032.968 649.2751 33.40090 673.7683 32.16056 -24.49323      46.36725 
1 1 1 -2  -9  5  o 603.1312 10.07821 8714.058       290.6054 8379.265       835.5975 8760.124       309.9541 585.8911 29.93046 604.6390 10.72242 -18.74786      31.79313 
1 1 1 -2  -9  6  o 125.1229 9.970735 377.3864       59.15173 404.8468       86.60904 353.3792       80.98067 129.0871 14.27174 120.4875 14.33923 8.599617       20.23107 
1 1 1 -2  -9  7  o 311.6224 12.70977 2333.187       188.9567 2365.258       268.6543 2301.790       265.8186 312.9609 18.03175 308.7096 18.08982 4.251312       25.54184 
1 1 1 -2  -9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -9  9  o 92.54880 12.61951 209.2405       54.38392 282.8196       85.91534 160.0482       70.24927 107.0653 17.38016 79.92609 18.71563 27.13918       25.54104 
1 1 1 -2  -9  10 o 296.4330 9.841855 2107.656       139.2866 2229.793       256.8195 2056.758       165.7875 303.7790 17.76072 292.6012 11.87601 11.17780       21.36546 
1 1 1 -2  -9  11 o 291.1232 12.42197 2037.432       172.4949 1945.644       245.1134 2127.491       242.7924 283.5580 18.17648 296.7487 17.18700 -13.19067      25.01555 
1 1 1 -2  -9  12 o 542.4203 19.30633 7112.396       499.8629 7008.550       708.0389 7215.584       705.7921 535.2723 27.76263 543.3624 27.25636 -8.090027      38.90595 
1 1 1 -2  -9  13 o 349.1129 9.948184 2924.500       165.8727 2656.320       317.9466 3024.786       194.4286 330.7294 20.20460 354.8333 11.47622 -24.10394      23.23639 
1 1 1 -2  -9  14 o 718.2751 8.562772 12363.86       294.0449 12003.97       422.5957 12701.62       409.4025 706.7374 12.50716 727.2054 11.77565 -20.46802      17.17833 
1 1 1 -2  -9  15 o 127.2639 13.94222 394.6181       83.44241 450.6850       111.5146 323.2894       125.7798 135.3981 17.64653 112.9958 24.02351 22.40231       29.80820 
1 1 1 -2  -9  16 o 91.83942 18.35899 211.5725       77.78963 358.5868       102.0407 7.582265       120.1983 120.2997 18.31948 58.42587 24.78277 61.87386       30.81865 
1 1 1 -2  -9  17 o 148.4570 11.95467 533.8811       84.13210 387.2362       131.7730 634.7941       109.3117 123.8104 23.11163 161.5396 14.30161 -37.72914      27.17874 
1 1 1 -2  -9  18 o 334.4615 11.78226 2697.582       188.1066 2746.747       240.2526 2619.700       302.3831 336.6043 14.96675 327.1530 19.42034 9.451263       24.51842 
1 1 1 -2  -9  19 o 47.80418 20.36564 2.163091       81.78001 20.38848       106.1507 -24.45067      128.2737 56.55501 23.59569 56.41748 24.76039 0.1375275      34.20282 
1 1 1 -2  -9  20 o 260.2262 12.71108 1638.729       157.6615 1635.720       232.0272 1641.310       214.8916 258.0869 18.93645 259.0451 17.45333 -0.9581909     25.75282 
1 1 1 -2  -9  21 o 245.7231 13.93164 1466.453       162.9948 1006.165       245.3231 1830.225       218.0912 199.1096 26.42302 273.6798 16.74834 -74.57016      31.28391 
1 1 1 -2  -9  22 o 197.3030 12.91962 945.4201       121.1981 1013.277       189.4883 898.4408       157.6660 202.1958 19.85795 191.0781 17.45157 11.11774       26.43664 
1 1 1 -2  -9  23 o 328.0040 11.83180 2603.024       185.2364 2491.875       324.2079 2656.892       225.7037 316.5530 21.55094 330.4690 14.31962 -13.91595      25.87459 
1 1 1 -2  -9  24 o 98.46083 20.41331 247.8900       92.93436 -22.69933      159.8320 386.0981       114.2287 62.81291 27.60073 123.6374 20.00801 -60.82449      34.08989 
1 1 1 -2  -9  25 o 75.21782 22.73003 142.9496       88.62831 136.5751       152.1751 146.2218       109.0280 80.06387 29.77550 77.23988 25.46155 2.823990       39.17743 
1 1 1 -2  -9  26 o 143.0255 19.48679 514.4611       129.7863 515.6136       177.8856 513.1494       189.7827 139.9724 27.56349 138.7820 29.51226 1.190491       40.38216 
1 1 1 -2  -9  27 o 106.7328 20.44002 293.1232       100.5041 283.5779       172.3087 298.0452       123.7322 102.5215 31.82969 106.1880 24.82027 -3.666527      40.36304 
1 1 1 -2  -9  28 o 116.7086 23.09022 356.8118       124.2726 52.80962       181.2182 626.6908       170.7450 72.66496 30.60640 155.2475 23.75920 -82.58259      38.74598 
1 1 1 -2  -9  29 o 259.5076 15.62868 1667.766       193.0027 1193.339       286.1003 2063.978       261.4557 210.4317 29.22575 286.3109 19.21202 -75.87910      34.97494 
1 1 1 -2  -9  30 o 119.2845 24.48393 384.0933       134.9462 643.1538       211.1861 205.3222       175.4339 151.2224 30.26769 88.46226 32.12478 62.76019       44.13768 
1 1 1 -2  -9  31 o 118.7408 25.58881 390.9310       140.9766 104.0425       224.7448 577.0446       181.0181 79.74420 33.85925 143.6394 27.35848 -63.89517      43.53085 
1 1 1 -2  -9  32 o 161.2304 24.96067 717.3296       186.1909 455.8861       239.6487 1115.471       295.7363 117.5156 37.67791 192.4030 33.35874 -74.88742      50.32326 
1 1 1 -2  -9  33 o 160.9496 31.42904 796.7758       233.1609 605.6463       361.5137 932.9058       305.0970 119.3177 45.55715 163.6109 39.46429 -44.29326      60.27341 
1 1 1 -2  -8  1  o 487.9774 9.403907 5710.115       219.3898 5752.973       238.3533 5472.474       561.2639 489.6727 10.18139 472.6480 24.92636 17.02466       26.92553 
1 1 1 -2  -8  2  o 274.0867 11.50955 1806.759       150.4828 1861.921       213.0250 1751.814       212.6053 277.4446 16.12956 268.9910 16.61316 8.453644       23.15513 
1 1 1 -2  -8  3  o 410.5120 7.176632 4034.558       140.8494 4142.346       200.1535 3928.819       198.2424 415.6508 10.07224 404.6453 10.25567 11.00552       14.37459 
1 1 1 -2  -8  4  o 271.8127 11.47100 1775.426       148.7311 1844.806       210.6786 1706.494       209.9982 276.4053 16.01137 265.7019 16.61467 10.70337       23.07404 
1 1 1 -2  -8  5  o 178.1353 9.530354 762.3542       80.86928 758.5714       115.2136 766.0279       113.5377 177.2177 13.70483 178.1278 13.43109 -0.9100647     19.18896 
1 1 1 -2  -8  6  o 584.5945 10.06560 8187.632       281.3213 8174.868       799.3536 8189.436       300.5492 578.7645 28.98096 584.5666 10.75408 -5.802124      30.91191 
1 1 1 -2  -8  7  o 388.2201 7.308005 3606.787       135.6392 3755.604       196.4352 3471.171       187.5207 395.7868 10.39024 380.5014 10.31777 15.28540       14.64286 
1 1 1 -2  -8  8  o 641.5692 22.17677 9951.190       679.1983 9958.073       961.1392 9944.326       959.9248 638.1171 31.60319 637.6839 31.58472 0.4332275      44.68060 
1 1 1 -2  -8  9  o 800.5673 8.562019 15344.26       327.7045 14798.95       467.5589 15870.78       459.4363 785.5370 12.44977 813.6193 11.81124 -28.08228      17.16107 
1 1 1 -2  -8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -8  11 o 202.4852 10.65440 985.2920       102.7779 942.8777       142.5656 1031.189       148.3039 197.5137 15.21482 206.6217 15.11766 -9.107986      21.44841 
1 1 1 -2  -8  12 o 203.2305 10.74083 992.7595       103.9897 1050.368       147.6304 936.0274       146.5034 208.5467 14.90517 196.6908 15.71005 11.85582       21.65571 
1 1 1 -2  -8  13 o 195.0063 11.07985 914.7654       102.8727 855.8330       153.2156 963.1411       138.8159 187.7334 17.26395 199.6575 14.64459 -11.92407      22.63864 
1 1 1 -2  -8  14 o 208.8527 10.99952 1049.073       109.4431 1098.824       164.1712 1009.278       146.8286 213.0156 16.24293 204.2788 15.14181 8.736786       22.20602 
1 1 1 -2  -8  15 o 231.4243 10.94091 1287.974       120.7089 1208.413       186.2040 1345.644       158.5318 223.0661 17.60268 236.0998 14.10905 -13.03368      22.55925 
1 1 1 -2  -8  16 o 216.0072 12.16734 1124.888       125.1448 1097.757       189.8061 1145.752       166.4484 212.1052 18.91589 217.3176 16.13564 -5.212479      24.86302 
1 1 1 -2  -8  17 o 259.2346 12.37672 1620.241       152.9503 1615.298       222.2936 1624.685       210.7747 257.5791 18.16783 258.5851 17.14614 -1.005951      24.98120 
1 1 1 -2  -8  18 o 225.2918 11.91453 1224.758       127.8745 1292.848       192.8725 1171.353       170.8138 230.2282 17.65756 219.3869 16.40438 10.84131       24.10172 
1 1 1 -2  -8  19 o 174.3374 13.71620 738.2077       113.4027 907.4232       202.7279 661.1446       136.8096 191.0226 22.63787 164.0338 17.72641 26.98888       28.75237 
1 1 1 -2  -8  20 o 296.6977 13.34319 2130.438       188.7859 2190.365       276.3666 2078.010       258.4957 298.8137 19.45107 291.3164 18.65817 7.497253       26.95313 
1 1 1 -2  -8  21 o 47.81013 19.71440 18.38511       72.89311 19.28944       126.2124 17.93249       89.29038 60.80720 25.57313 52.08387 21.67846 8.723328       33.52522 
1 1 1 -2  -8  22 o 82.39753 21.08058 173.3327       83.37224 223.3257       142.6007 147.3690       102.7661 93.74720 28.93093 77.40948 24.65764 16.33772       38.01313 
1 1 1 -2  -8  23 o 118.7471 16.94268 350.3687       93.46204 673.4388       159.8752 182.6375       115.1966 164.1514 20.84088 84.99149 25.96141 79.15991       33.29169 
1 1 1 -2  -8  24 o 191.9701 16.70637 906.4443       151.8034 901.0306       257.5691 909.3256       187.9072 185.8592 30.00884 190.7724 20.94660 -4.913269      36.59632 
1 1 1 -2  -8  25 o 317.0608 12.05848 2435.803       182.4530 2497.199       296.9016 2398.549       231.2757 317.5481 19.65296 313.2593 15.49055 4.288788       25.02391 
1 1 1 -2  -8  26 f 158.7500 16.74373 623.2707       125.1672 872.7476       266.9599 552.9747       141.7086 181.2228 31.98107 148.1681 20.55785 33.05469       38.01860 
1 1 1 -2  -8  27 o 190.0508 16.40829 891.4507       147.6289 459.9266       304.9368 1023.555       168.7195 127.8487 42.59698 203.3000 17.52984 -75.45136      46.06297 
1 1 1 -2  -8  28 o 56.10854 21.72183 55.20819       82.98350 259.8092       188.5908 6.082486       92.41042 99.19889 33.50431 50.58321 21.60215 48.61568       39.86466 
1 1 1 -2  -8  29 o 106.4254 19.63356 291.5105       96.21765 210.0648       202.0087 315.4096       109.4277 92.58009 34.32959 110.0780 21.56475 -17.49796      40.54084 
1 1 1 -2  -8  30 o 137.1238 17.25327 474.2211       110.6097 708.3320       220.6476 395.6432       127.8317 160.8222 29.79448 122.8227 22.60226 37.99950       37.39751 
1 1 1 -2  -8  31 o 67.16704 26.69853 84.17383       128.2158 -190.2971      207.8038 252.8940       162.9254 57.85759 27.51510 94.80988 31.11867 -36.95230      41.53857 
1 1 1 -2  -8  32 o 232.8152 14.44110 1355.010       159.9472 1001.119       260.4323 1569.339       202.6749 186.9858 30.15831 248.4070 17.17152 -61.42120      34.70425 
1 1 1 -2  -8  33 o 105.9057 26.27892 322.0141       132.4206 156.3698       199.5302 452.3998       177.0253 80.88747 32.89923 122.8409 30.32739 -41.95346      44.74495 
1 1 1 -2  -8  34 o 89.44456 30.68827 249.4825       158.3092 42.63869       344.5112 304.8504       178.2424 80.13687 37.25256 96.83510 32.57183 -16.69823      49.48412 
1 1 1 -2  -7  1  o 500.9305 7.287304 6014.334       174.5230 6231.855       247.3379 5798.651       246.2911 509.2716 10.15858 491.1685 10.48841 18.10309       14.60149 
1 1 1 -2  -7  2  o 213.1230 8.155467 1090.877       82.94406 1072.741       100.5478 1129.505       146.7396 211.0932 9.991347 215.8384 14.30100 -4.745132      17.44551 
1 1 1 -2  -7  3  f 382.9987 8.895967 3519.182       162.8916 3343.325       365.9554 3562.632       181.9054 369.7985 20.78289 385.0671 9.889183 -15.26868      23.01574 
1 1 1 -2  -7  4  f 243.8232 10.79416 1430.771       125.5146 1476.111       177.9435 1385.876       177.0687 246.8665 15.14985 239.0833 15.57597 7.783234       21.72853 
1 1 1 -2  -7  5  o 391.3748 10.09976 3677.491       188.8205 0.000000       0.000000 3677.491       188.8205 ?        ?        391.3748 10.09976 0.000000       10.09976 
1 1 1 -2  -7  6  o 689.2675 10.60053 11396.18       349.3203 11394.04       1091.519 11396.42       368.7120 677.7921 33.79078 689.1383 11.19109 -11.34625      35.59575 
1 1 1 -2  -7  7  o 359.7603 9.067486 3102.515       155.8340 3176.640       337.9793 3082.503       175.6151 362.2080 19.59039 358.4578 10.25799 3.750214       22.11356 
1 1 1 -2  -7  8  f 345.9823 9.406180 2869.331       155.4435 2833.099       177.8545 2986.531       319.8819 343.6343 10.83936 351.4966 19.10717 -7.862274      21.96760 
1 1 1 -2  -7  9  o 242.3164 8.758914 1407.696       101.3039 1435.965       181.5383 1394.913       122.0794 243.9726 15.64639 241.0470 10.61939 2.925644       18.90981 
1 1 1 -2  -7  10 o 253.6443 8.623200 1542.048       104.4167 1656.508       149.9228 1434.225       145.5110 262.5823 11.97397 244.2326 12.50350 18.34976       17.31224 
1 1 1 -2  -7  11 o 660.7222 11.14717 10463.13       352.1211 10418.97       374.8918 10793.89       1025.980 659.2061 11.89533 663.8555 32.42447 -4.649414      34.53758 
1 1 1 -2  -7  12 o 251.2869 10.37683 1515.593       124.3963 1584.638       163.1458 1419.702       192.2646 256.6233 13.34338 242.3947 16.69274 14.22862       21.37039 
1 1 1 -2  -7  13 o 47.83068 20.45088 -2.638823      82.99992 -124.9848      124.5375 95.13155       111.3292 47.06534 22.04914 69.70629 25.54814 -22.64095      33.74718 
1 1 1 -2  -7  14 o 174.3016 12.14975 732.3767       100.6120 825.0695       139.9429 633.2029       144.7526 184.5201 16.02215 160.9194 19.19313 23.60072       25.00171 
1 1 1 -2  -7  15 f 684.9608 11.44818 11254.64       374.8956 11929.82       1110.474 11167.79       398.2786 695.3337 33.50323 682.1481 12.21237 13.18561       35.65961 
1 1 1 -2  -7  16 o 171.4920 12.03598 709.5472       98.05447 747.7557       145.1472 677.4718       132.9890 175.1895 17.56651 166.7899 16.91124 8.399582       24.38385 
1 1 1 -2  -7  17 o 331.3468 13.65718 2646.295       215.8838 2801.452       309.6875 2499.619       301.1051 339.6075 19.15144 320.5703 19.74233 19.03723       27.50523 
1 1 1 -2  -7  18 f 211.1508 12.24740 1075.813       123.1054 1121.285       180.4100 1036.193       168.4041 214.5036 17.75090 206.2639 17.23477 8.239685       24.74129 
1 1 1 -2  -7  19 o 122.7309 14.67365 368.6820       84.39532 437.5955       137.7416 327.2614       106.7877 132.0048 22.64031 114.3056 20.28374 17.69916       30.39760 
1 1 1 -2  -7  20 o 60.21777 24.99381 26.87886       118.2167 -147.6388      213.7465 103.7863       141.8938 64.55947 29.77618 75.05592 28.56937 -10.49645      41.26536 
1 1 1 -2  -7  21 o 240.0332 12.90764 1394.714       147.5796 1377.431       222.0754 1408.383       197.4979 236.5482 19.81890 240.0186 17.32777 -3.470352      26.32566 
1 1 1 -2  -7  22 o 214.8097 12.82722 1118.265       131.1331 1049.813       197.3035 1172.427       175.5050 205.9964 20.29737 218.8919 16.90153 -12.89555      26.41297 
1 1 1 -2  -7  23 o 184.2316 14.54839 827.7695       127.1015 863.3569       179.9746 792.3602       179.5235 186.3928 20.53634 178.1465 21.51345 8.246262       29.74172 
1 1 1 -2  -7  24 o 243.8377 12.92265 1442.262       150.1091 1661.666       226.2114 1269.638       200.6522 259.9292 18.32070 226.9251 18.65965 33.00414       26.15015 
1 1 1 -2  -7  25 o 79.19678 22.17425 160.4149       87.26951 363.8399       149.7027 55.69812       107.4078 117.8091 27.13844 61.52089 24.44207 56.28820       36.52272 
1 1 1 -2  -7  26 o 173.5111 14.81942 738.2357       121.7569 652.1042       201.3716 787.8698       152.8648 158.1890 27.63151 178.1849 18.19969 -19.99583      33.08669 
1 1 1 -2  -7  27 o 129.0364 18.22655 416.9603       109.3137 358.4035       196.4014 443.2420       131.5777 115.1832 33.59902 131.9756 21.60011 -16.79240      39.94320 
1 1 1 -2  -7  28 o 164.6551 19.40512 680.1658       149.8262 552.0956       220.7111 789.6213       204.0417 142.0712 33.10973 174.9707 25.11050 -32.89948      41.55468 
1 1 1 -2  -7  29 o 147.6293 19.31843 551.4002       133.0811 243.7476       210.0537 757.6970       172.0071 97.78859 35.20063 172.4511 21.31608 -74.66254      41.15167 
1 1 1 -2  -7  30 o 113.9759 28.22615 354.5452       152.9926 122.8553       319.4529 423.5034       174.2794 93.93262 40.14095 124.0022 29.77403 -30.06959      49.97788 
1 1 1 -2  -7  31 o 139.6919 23.79931 515.2737       153.2514 785.7996       307.9441 426.2179       176.6846 160.6885 40.19090 123.4225 30.19513 37.26603       50.26981 
1 1 1 -2  -7  32 o 117.0679 24.17118 372.5128       130.7995 486.6416       195.9356 280.7662       175.6752 128.9354 31.94979 98.51750 32.31212 30.41792       45.44076 
1 1 1 -2  -7  33 o 141.3076 21.40770 531.8552       140.1007 533.3947       219.1132 530.7905       182.2151 131.2122 34.48403 135.6618 28.97503 -4.449661      45.04110 
1 1 1 -2  -7  34 o 61.62061 23.36540 87.51080       94.68636 21.02440       202.9246 106.0153       107.0551 68.23270 30.47849 66.10805 24.89420 2.124649       39.35301 
1 1 1 -2  -7  35 o 58.59127 23.79048 66.18060       104.1314 -223.2385      358.3573 92.87188       108.8272 69.72626 33.89673 63.17871 24.75634 6.547543       41.97457 
1 1 1 -2  -6  1  o 141.5852 7.867943 481.9763       53.04886 445.7178       67.59991 540.0988       85.58813 135.8214 10.49172 149.3533 12.08971 -13.53185      16.00741 
1 1 1 -2  -6  2  o 187.1971 9.550038 843.4717       85.18735 898.8817       120.5430 788.1902       120.4033 192.6839 13.16452 180.2000 14.08765 12.48389       19.28125 
1 1 1 -2  -6  3  o 319.4858 12.73014 2463.230       194.0540 2475.047       274.6147 2451.445       274.2532 318.7259 18.09615 317.1762 18.16194 1.549713       25.63838 
1 1 1 -2  -6  4  o 338.8759 8.641846 2757.429       139.8946 2571.224       296.4171 2810.789       158.6783 324.3695 19.20004 341.9402 9.716269 -17.57071      21.51853 
1 1 1 -2  -6  5  f 839.6196 29.21539 17578.81       1170.955 17260.63       1656.140 17896.87       1655.822 813.0806 42.75471 829.3442 41.89666 -16.26355      59.86064 
1 1 1 -2  -6  6  o 378.6849 9.039349 3440.587       163.6528 3414.035       365.3788 3447.250       183.0396 373.8497 20.52140 378.7426 10.11770 -4.892914      22.88003 
1 1 1 -2  -6  7  o 272.4068 11.69442 1786.489       151.9470 1700.521       215.5391 1871.423       214.2379 264.6797 17.12515 277.9305 16.19336 -13.25070      23.56895 
1 1 1 -2  -6  8  o 528.3245 18.75936 6755.133       473.0830 6766.375       669.5460 6743.925       668.5360 525.4655 26.73979 524.5888 26.74441 0.8767090      37.81904 
1 1 1 -2  -6  9  o 55.04737 13.30921 75.68085       34.63724 105.7829       66.44805 64.44983       40.58767 65.80636 19.63508 51.47091 15.34289 14.33545       24.91868 
1 1 1 -2  -6  10 o 362.1251 14.00717 3153.137       242.0459 3092.313       343.0635 3213.425       341.5505 357.4910 20.15410 364.5487 19.66991 -7.057709      28.16191 
1 1 1 -2  -6  11 o 371.1840 14.28244 3312.421       252.9816 3247.321       358.5947 3376.926       356.9511 366.3911 20.55395 373.7587 20.04940 -7.367554      28.71312 
1 1 1 -2  -6  12 o 1027.348 12.43561 25311.97       610.7917 23025.05       2265.911 25491.16       634.2696 955.7295 49.76202 1030.859 12.86963 -75.12964      51.39928 
1 1 1 -2  -6  13 o 290.6526 13.92542 2032.569       192.9416 2032.569       192.9416 0.000000       0.000000 290.6526 13.92542 ?        ?        0.000000       13.92542 
1 1 1 -2  -6  14 o 915.0731 12.08563 20083.42       528.7292 18910.60       1841.203 20188.83       551.9780 869.0262 44.46379 917.3423 12.58583 -48.31610      46.21074 
1 1 1 -2  -6  15 o 328.7267 10.70568 2593.091       168.0266 2627.737       304.3340 2577.898       201.5264 329.4858 19.40585 327.4778 12.89709 2.007965       23.30069 
1 1 1 -2  -6  16 o 153.2901 12.61496 567.8387       91.63293 457.6875       138.8622 652.7997       121.9549 135.8067 22.14997 163.9753 15.74997 -28.16864      27.17872 
1 1 1 -2  -6  17 o 576.8575 20.28707 8063.050       558.6240 8309.037       793.4538 7821.283       786.6180 581.7631 28.61552 564.0470 29.27039 17.71613       40.93414 
1 1 1 -2  -6  18 o 496.4616 11.16241 5917.982       264.9428 6390.330       622.3533 5813.431       292.8001 510.5250 25.57981 491.6328 12.46731 18.89221       28.45629 
1 1 1 -2  -6  19 f 266.4790 12.96143 1713.137       164.6341 1645.839       241.7749 1771.321       224.8056 259.6448 19.62230 269.9729 17.51169 -10.32813      26.30007 
1 1 1 -2  -6  20 o 95.96732 20.83395 232.9927       92.84094 302.1309       209.4605 216.0889       103.5704 109.8167 35.22649 92.14403 23.45412 17.67268       42.32023 
1 1 1 -2  -6  21 o 270.8825 11.77712 1770.474       152.1561 1645.743       244.9130 1848.879       194.1757 258.8970 19.94037 276.1034 14.76375 -17.20642      24.81102 
1 1 1 -2  -6  22 o 136.7748 14.09516 457.1461       90.85065 373.3125       150.1312 505.5832       114.1171 120.1992 26.80810 143.2402 16.99474 -23.04091      31.74107 
1 1 1 -2  -6  23 o 134.0893 14.42222 440.3333       91.00404 494.9553       153.3636 410.6479       113.0602 139.6299 23.82838 128.3037 19.00550 11.32626       30.47951 
1 1 1 -2  -6  24 o 130.1536 15.29680 416.8412       93.36922 643.1332       168.2397 316.1218       112.2408 159.8030 22.65524 111.3996 21.85558 48.40342       31.47899 
1 1 1 -2  -6  25 o 58.94156 24.24401 33.69925       109.8766 -88.19463      163.6600 133.7286       148.2571 58.24314 26.56003 79.54252 29.42542 -21.29937      39.63951 
1 1 1 -2  -6  26 o 147.0001 21.41475 545.8984       146.0805 756.3824       298.5491 479.6425       167.5014 165.2599 38.50403 135.6528 26.77838 29.60712       46.90034 
1 1 1 -2  -6  27 o 327.2952 12.19247 2597.749       190.4495 2602.924       347.9253 2595.535       227.5708 322.0155 22.74597 326.1357 14.63246 -4.120178      27.04603 
1 1 1 -2  -6  28 o 255.2480 14.52446 1592.361       176.5121 1985.544       342.3550 1450.001       206.0035 278.7104 25.99272 242.1423 17.92194 36.56815       31.57242 
1 1 1 -2  -6  29 o 126.6917 23.52606 416.7186       137.2524 581.9715       210.4393 294.3805       181.0644 146.6152 30.99298 104.5301 32.65589 42.08508       45.02190 
1 1 1 -2  -6  30 o 118.2489 26.09780 373.6889       143.5824 500.4958       184.2872 177.8053       229.0461 135.7004 29.26713 91.17380 35.85844 44.52660       46.28598 
1 1 1 -2  -6  31 o 69.61627 28.20780 76.08861       146.0364 -75.12405      188.2908 304.3683       231.3495 62.49149 28.49401 104.9766 37.03205 -42.48513      46.72560 
1 1 1 -2  -6  32 o 145.4262 29.11490 587.1649       195.3589 391.9792       326.5872 695.9229       243.7843 113.9977 43.35463 155.0313 33.84286 -41.03365      54.99967 
1 1 1 -2  -6  33 o 129.3271 32.36589 498.5507       199.6213 890.0246       345.1590 301.7985       244.6964 161.2418 43.69493 100.4739 37.67861 60.76791       57.69683 
1 1 1 -2  -6  34 o 107.9557 25.15091 328.4024       127.3901 410.6883       221.7269 287.8568       155.6423 112.5796 36.25574 98.26579 30.20706 14.31378       47.19052 
1 1 1 -2  -6  35 o 71.44012 26.95942 133.7999       125.7042 -309.0110      227.8752 327.4884       150.7092 53.32840 26.16026 103.1279 29.23320 -49.79948      39.22932 
1 1 1 -2  -5  1  o 148.8567 8.770734 532.7898       62.14181 570.7330       87.97893 495.0137       87.78497 153.6996 12.06961 142.9456 12.98681 10.75394       17.72943 
1 1 1 -2  -5  2  o 127.3422 8.512935 390.2957       51.52979 380.2328       72.94765 400.3181       72.80081 125.2042 12.34717 128.5515 11.98347 -3.347298      17.20628 
1 1 1 -2  -5  3  f 350.1016 13.52425 2953.913       225.9426 2974.567       319.6775 2933.297       319.3849 349.9012 19.18329 347.4229 19.30449 2.478210       27.21511 
1 1 1 -2  -5  4  o 120.0358 8.650359 347.2647       49.30951 321.7258       70.21687 372.1133       69.26129 114.8945 13.01181 123.8551 11.84082 -8.960602      17.59295 
1 1 1 -2  -5  5  o 234.7839 8.218151 1323.531       92.10444 1256.035       167.1268 1352.972       110.3793 227.4281 15.46265 237.1718 9.755382 -9.743744      18.28281 
1 1 1 -2  -5  6  o 87.03081 8.859099 183.6354       36.34803 170.7874       52.68994 195.3013       50.20760 83.06133 13.74904 89.26952 12.07328 -6.208191      18.29755 
1 1 1 -2  -5  7  o 321.3935 12.78399 2492.956       196.0399 2582.280       277.7633 2404.300       276.7243 325.6311 17.91086 313.9754 18.51723 11.65576       25.76211 
1 1 1 -2  -5  8  o 72.84819 9.976027 129.7550       33.83269 142.2889       49.52349 118.7857       46.32936 75.61157 14.22167 68.90261 14.52271 6.708961       20.32646 
1 1 1 -2  -5  9  o 173.7793 9.737559 726.6162       80.57792 715.8211       114.7489 737.1175       113.1762 171.8676 14.08872 174.4893 13.67602 -2.621643      19.63480 
1 1 1 -2  -5  10 o 162.0760 8.909812 631.2539       68.77358 651.1421       101.5797 614.4221       93.44929 164.1324 13.05249 159.5026 12.35078 4.629852       17.96968 
1 1 1 -2  -5  11 o 416.0523 9.522928 4146.700       189.4204 4221.042       212.5754 3860.135       417.3563 419.5246 10.60707 399.0002 21.96362 20.52435       24.39079 
1 1 1 -2  -5  12 o 359.6949 9.251109 3100.436       158.9556 3259.949       184.5827 2642.636       312.7013 368.7102 10.48186 330.5214 19.88081 38.18875       22.47479 
1 1 1 -2  -5  13 o 355.5562 14.03433 3039.256       238.0972 3071.710       338.5748 3007.503       334.8959 356.4274 19.94856 352.6721 19.94362 3.755280       28.20803 
1 1 1 -2  -5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -5  15 o 182.2440 12.20704 800.1900       105.7451 995.1133       180.8092 698.8584       130.3651 202.3410 18.90983 169.7047 16.26681 32.63631       24.94376 
1 1 1 -2  -5  16 o 96.69524 19.18923 233.3122       85.57815 136.2931       117.8063 341.7126       124.5246 77.77412 26.47832 116.8162 23.11555 -39.04211      35.14869 
1 1 1 -2  -5  17 o 482.1053 17.65161 5609.979       406.1634 5621.188       578.9744 5599.116       569.9357 480.1632 25.31038 479.3472 24.95545 0.8160095      35.54420 
1 1 1 -2  -5  18 o 68.99924 23.09348 109.2022       89.60922 54.60110       123.2667 170.3948       130.4952 65.45734 26.12566 84.94098 27.84829 -19.48364      38.18478 
1 1 1 -2  -5  19 o 212.6229 12.99278 1091.349       131.4444 1144.178       218.1603 1061.242       164.6948 215.9681 21.41049 209.0061 16.61885 6.962036       27.10342 
1 1 1 -2  -5  20 o 497.4454 18.29078 6006.950       434.2561 5930.466       618.4207 6081.348       609.9290 490.1871 26.48682 496.8166 25.76686 -6.629486      36.95243 
1 1 1 -2  -5  21 o 127.1955 17.48782 399.5355       103.5328 315.4167       142.8967 492.4873       150.2120 110.7479 27.19160 139.9667 23.26401 -29.21873      35.78543 
1 1 1 -2  -5  22 o 142.7193 16.68808 500.9333       111.7198 687.2808       162.3527 333.3288       153.9716 166.3264 20.87554 113.3737 28.45464 52.95268       35.29100 
1 1 1 -2  -5  23 o 214.3989 13.08249 1114.524       133.4594 1146.427       211.8221 1093.523       171.8616 215.1728 20.85198 211.2936 17.16073 3.879227       27.00548 
1 1 1 -2  -5  24 o 668.9810 12.85050 10814.96       411.0002 11110.69       455.0604 9505.795       957.4443 677.3497 14.05231 608.3038 33.04597 69.04596       35.90966 
1 1 1 -2  -5  25 o 411.4330 13.67801 4105.295       268.6744 4327.231       349.9395 3786.613       419.3314 420.5482 17.44266 390.3314 22.56685 30.21680       28.52208 
1 1 1 -2  -5  26 o 112.8014 20.57437 323.1141       106.8687 497.5355       289.2747 295.5459       115.0046 134.0350 41.17739 107.0637 23.14369 26.97121       47.23567 
1 1 1 -2  -5  27 o 73.05031 22.91110 133.0839       89.03596 137.7339       172.8989 131.4058       103.8666 82.58512 31.51221 73.92139 24.86421 8.663734       40.14035 
1 1 1 -2  -5  28 o 254.9820 14.28317 1587.635       173.4216 1391.279       272.2558 1721.702       224.9657 233.7562 24.73646 263.9888 17.93113 -30.23257      30.55189 
1 1 1 -2  -5  29 o 134.5381 17.76542 452.7582       111.4793 753.8171       214.4255 341.2418       130.5028 169.8852 27.32717 114.2368 24.62130 55.64841       36.78292 
1 1 1 -2  -5  30 o 334.9377 15.54160 2762.094       248.1890 2575.974       375.2465 2906.826       330.9049 316.2233 25.02460 340.0487 20.44866 -23.82544      32.31684 
1 1 1 -2  -5  31 o 238.4357 18.69698 1428.311       211.4297 1541.313       350.5710 1363.712       265.0607 237.6333 31.64322 228.9895 24.59660 8.643753       40.07850 
1 1 1 -2  -5  32 o 90.92419 30.68949 221.1177       158.2332 262.6938       208.3881 164.5056       243.1672 98.49072 35.10678 89.71738 36.38215 8.773331       50.55835 
1 1 1 -2  -5  33 o 131.0145 28.00585 480.6477       170.1009 302.5986       230.3680 694.1014       252.2344 101.6875 36.82877 151.9413 35.38522 -50.25373      51.07320 
1 1 1 -2  -5  34 o 61.96017 26.35261 40.69988       136.5341 -30.14686      368.1594 51.99754       147.0179 82.86319 38.51651 64.80507 27.44509 18.05812       47.29434 
1 1 1 -2  -5  35 o 83.42256 27.76918 201.2242       129.5981 -276.6464      223.2939 443.9664       159.1455 54.50104 26.55403 123.1273 27.70689 -68.62624      38.37692 
1 1 1 -2  -5  36 o 37.77942 18.64992 -223.9094      121.9810 -263.9815      220.5410 -206.2475      146.4154 53.37393 26.08848 43.71167 21.34216 9.662258       33.70603 
1 1 1 -2  -4  1  f 91.75815 8.037938 203.1393       34.90551 190.4238       49.28515 215.9363       49.44292 88.29138 11.98504 94.23583 11.19275 -5.944450      16.39875 
1 1 1 -2  -4  2  o 319.6678 12.67226 2457.128       193.2858 2474.866       273.4329 2439.412       273.2621 319.8840 17.95130 317.5520 18.07396 2.332031       25.47385 
1 1 1 -2  -4  3  o 223.3535 8.122568 1196.343       86.59058 1191.404       104.2176 1207.355       155.6050 222.7277 9.811275 223.5827 14.63766 -0.8550110     17.62164 
1 1 1 -2  -4  4  o 448.2428 7.201491 4810.735       154.3278 4867.983       219.0047 4754.266       217.5079 450.5385 10.16748 445.2378 10.21821 5.300659       14.41490 
1 1 1 -2  -4  5  o 458.9648 9.230182 5050.738       202.5340 5123.709       222.0407 4689.322       494.1528 462.1385 10.04968 437.9470 23.68923 24.19156       25.73277 
1 1 1 -2  -4  6  o 230.2523 10.51941 1275.821       115.4928 1346.021       163.7618 1206.355       162.9046 235.8025 14.59791 223.0293 15.37191 12.77319       21.19892 
1 1 1 -2  -4  7  o 162.6167 7.857229 635.5005       60.90539 627.8411       87.67010 642.6454       84.67445 161.1505 11.45385 163.1311 10.91982 -1.980606      15.82508 
1 1 1 -2  -4  8  o 102.0888 9.373112 252.3248       45.23766 223.5189       63.47279 282.0620       64.49078 95.16203 14.40111 107.4383 12.80725 -12.27629      19.27220 
1 1 1 -2  -4  9  o 245.5207 8.825180 1448.040       103.4220 1486.688       184.1580 1430.236       124.9944 247.5021 15.64340 243.7159 10.75398 3.786163       18.98325 
1 1 1 -2  -4  10 o 27.78074 11.43760 5.500198       24.48496 -3.605202      35.18784 14.04734       34.09208 30.65467 13.21442 34.38289 13.73401 -3.728220      19.05896 
1 1 1 -2  -4  11 o 294.0943 12.33251 2080.448       173.0141 1945.251       245.4196 2214.025       243.9447 283.3072 18.21591 302.5908 16.93023 -19.28360      24.86869 
1 1 1 -2  -4  12 o 386.8421 14.56217 3600.397       268.8390 3806.184       381.2629 3396.899       379.1376 396.6039 20.17382 374.3586 21.27118 22.24521       29.31631 
1 1 1 -2  -4  13 o 129.6629 10.16143 405.2373       62.48821 321.8117       89.91547 483.1696       86.90476 114.4646 16.94157 141.3238 13.00818 -26.85915      21.35954 
1 1 1 -2  -4  14 o 334.3419 13.47333 2686.829       214.9234 2828.286       308.4076 2553.269       299.6758 342.1506 18.92757 324.9534 19.37756 17.19720       27.08769 
1 1 1 -2  -4  15 o 327.9700 10.40467 2580.049       162.9375 2079.641       293.2716 2803.481       195.9657 292.7682 21.09401 341.7007 12.01440 -48.93243      24.27556 
1 1 1 -2  -4  16 o 159.1161 14.09166 612.7231       106.0903 79.68600       185.3063 872.6264       129.3949 79.86713 31.98001 190.0708 14.34535 -110.2037      35.05011 
1 1 1 -2  -4  17 o 147.8676 12.73742 528.6551       89.16888 538.9738       138.3969 521.3314       116.5950 148.0986 20.06183 146.1818 16.99992 1.916809       26.29590 
1 1 1 -2  -4  18 o 215.8759 12.13653 1122.093       124.7540 1042.267       186.6311 1186.573       167.7354 206.9048 19.08193 221.4459 15.95028 -14.54114      24.87029 
1 1 1 -2  -4  19 o 251.8371 12.54295 1527.619       150.5424 1589.241       222.4258 1475.530       204.5003 255.8048 18.30835 246.6167 17.45738 9.188156       25.29735 
1 1 1 -2  -4  20 o 449.0279 16.51713 4877.198       353.9774 5274.231       507.2048 4500.193       494.2460 464.4780 22.91143 428.3897 24.23093 36.08832       33.34774 
1 1 1 -2  -4  21 f 52.55460 20.46861 42.31263       74.02621 -91.87759      139.0961 95.33791       87.43716 53.01038 24.29156 65.61042 22.79351 -12.60004      33.31102 
1 1 1 -2  -4  22 o 231.9761 12.80778 1301.280       141.4935 1512.733       221.7567 1156.081       183.7604 248.5954 18.79774 217.4141 17.83558 31.18127       25.91260 
1 1 1 -2  -4  23 o 252.5135 12.61322 1542.454       151.7895 1759.921       246.5149 1409.655       192.6390 267.6841 19.39400 240.2356 16.87996 27.44849       25.71110 
1 1 1 -2  -4  24 o 107.0680 22.74734 293.1625       112.8429 309.9960       158.5687 275.8909       160.6190 108.9532 29.65446 103.2354 30.45871 5.717751       42.51024 
1 1 1 -2  -4  25 o 122.5674 25.40974 387.5926       144.0033 -0.1354118E-01 271.7036 539.0034       169.8159 83.52986 36.35999 145.0947 25.40558 -61.56485      44.35642 
1 1 1 -2  -4  26 o 57.63319 24.42092 12.60895       116.5079 -249.5617      165.3864 270.8892       164.1547 48.45000 23.42854 102.0107 30.95712 -53.56067      38.82318 
1 1 1 -2  -4  27 o 248.7833 13.94434 1508.053       165.1909 1455.503       258.9177 1544.128       214.5247 240.6555 22.77486 250.1694 18.05791 -9.513855      29.06514 
1 1 1 -2  -4  28 o 52.57907 21.79681 22.89394       89.75543 155.9160       178.0978 -22.39360      103.9169 85.31236 32.11250 50.25168 22.16155 35.06067       39.01726 
1 1 1 -2  -4  29 o 377.2832 12.48001 3456.017       224.7982 6779.924       364.0996 1408.446       285.7690 527.2247 14.45860 234.2832 25.94771 292.9415       29.70412 
1 1 1 -2  -4  30 o 62.23197 24.39814 65.43409       105.7475 -101.9644      353.5341 81.88292       110.8213 85.36287 38.96911 65.68613 25.18774 19.67673       46.40058 
1 1 1 -2  -4  31 f 162.9601 18.22741 668.2614       139.5788 687.7449       224.8179 656.0408       178.0507 158.5468 30.76962 158.5128 24.26575 0.3392029E-01  39.18668 
1 1 1 -2  -4  32 o 103.0283 30.88367 295.3437       164.1004 180.0540       213.8764 460.3590       255.8762 89.13922 34.77053 124.1688 38.82478 -35.02956      52.11865 
1 1 1 -2  -4  33 o 126.8596 34.26685 474.2123       212.6881 695.9559       362.7347 358.0341       262.5583 143.1495 46.39590 109.7219 39.37239 33.42754       60.85035 
1 1 1 -2  -4  34 o 60.46106 25.47485 41.10867       125.6140 -13.25841      209.7272 71.52180       156.8618 68.19987 30.68319 68.62009 28.66043 -0.4202118     41.98665 
1 1 1 -2  -4  35 o 50.84792 23.26798 -50.11975      127.0258 -246.5094      217.7424 51.19874       156.3969 55.29335 26.77248 65.53510 28.04804 -10.24175      38.77446 
1 1 1 -2  -4  36 o 61.05225 26.72631 31.10728       148.6028 -109.5613      382.6356 56.09258       161.2609 76.05437 36.48513 65.13493 28.18403 10.91944       46.10319 
1 1 1 -2  -3  1  o 96.27756 8.052220 223.4899       36.72458 211.2972       51.95282 235.6671       51.91999 93.09407 11.94803 98.50159 11.22520 -5.407516      16.39391 
1 1 1 -2  -3  2  o 327.4916 8.489128 2570.202       132.8022 2604.895       151.0763 2452.257       278.5591 329.5816 9.598160 318.4037 18.37723 11.17792       20.73276 
1 1 1 -2  -3  3  o 420.6938 9.216856 4239.848       185.3776 4210.650       204.0377 4377.931       443.7159 419.1429 10.18216 424.8131 21.92149 -5.670197      24.17081 
1 1 1 -2  -3  4  o 347.1343 19.13875 2917.544       316.3994 0.000000       0.000000 2917.544       316.3994 ?        ?        347.1343 19.13875 0.000000       19.13875 
1 1 1 -2  -3  5  o 603.1997 10.07948 8723.775       290.6749 8601.497       842.7679 8740.285       309.6775 591.3867 29.90474 603.6496 10.73041 -12.26294      31.77161 
1 1 1 -2  -3  6  o 97.72488 8.520329 230.5776       39.41034 184.7872       56.32645 274.4929       55.16108 86.53886 14.09918 106.3797 11.00461 -19.84088      17.88542 
1 1 1 -2  -3  7  o 485.2826 17.41831 5705.838       403.4632 5881.430       570.9874 5530.742       570.1799 489.5404 24.47424 474.2972 25.23591 15.24319       35.15451 
1 1 1 -2  -3  8  o 180.0871 9.665900 780.9907       82.91611 819.9707       117.6259 742.4905       116.8997 183.9172 13.47085 174.8441 14.10433 9.073120       19.50374 
1 1 1 -2  -3  9  o 270.4905 8.764245 1757.671       113.1882 1659.747       208.7307 1798.460       134.7150 261.1004 16.81064 273.3533 10.32678 -12.25284      19.72917 
1 1 1 -2  -3  10 o 270.0842 9.014840 1752.192       116.2402 1771.478       213.2516 1744.040       138.6485 270.0217 16.59929 269.1722 10.79589 0.8495483      19.80120 
1 1 1 -2  -3  11 o 248.4542 9.145967 1482.158       108.4533 1527.670       190.1955 1460.230       132.0199 251.1343 15.92311 246.3286 11.23989 4.805695       19.49052 
1 1 1 -2  -3  12 o 221.3468 8.466121 1175.280       89.42619 1253.001       130.4970 1106.468       122.7900 228.1681 12.00516 214.3700 12.02919 13.79807       16.99486 
1 1 1 -2  -3  13 o 553.6440 19.40289 7400.242       512.7827 7737.299       726.2472 7065.151       724.1260 563.5367 27.03475 537.9772 28.25315 25.55951       39.10394 
1 1 1 -2  -3  14 o 245.1150 11.37891 1443.291       132.9818 1456.667       189.2917 1430.257       186.8612 245.6350 16.20941 243.3974 16.14946 2.237595       22.88121 
1 1 1 -2  -3  15 o 690.3588 11.60436 11426.31       383.0050 11508.44       410.3454 10870.87       1067.134 692.6928 12.39083 665.3783 33.65538 27.31451       35.86387 
1 1 1 -2  -3  16 o 402.1868 10.62748 3879.370       204.1670 3218.322       399.1003 4113.690       237.6128 364.0032 23.05181 413.9763 12.01838 -49.97305      25.99668 
1 1 1 -2  -3  17 o 281.0938 13.45786 1901.425       180.3317 1383.584       261.2453 2372.742       249.2337 237.9249 23.26370 313.5544 16.68599 -75.62949      28.62905 
1 1 1 -2  -3  18 o 197.1204 12.88259 936.8737       120.7416 759.2994       183.4303 1072.638       160.3888 175.7074 22.34041 210.5089 16.05776 -34.80153      27.51264 
1 1 1 -2  -3  19 o 327.8696 13.80784 2588.990       215.9544 2833.995       315.8723 2373.968       295.9149 341.8466 19.40705 312.6608 19.89962 29.18579       27.79619 
1 1 1 -2  -3  20 o 36.92997 17.20905 -68.66626      74.22507 15.83515       138.7197 -102.5643      87.86047 63.60527 26.78361 38.26002 18.10620 25.34525       32.32949 
1 1 1 -2  -3  21 o 96.12222 21.88455 234.0072       98.30781 377.6527       244.3666 206.2703       107.3804 121.7582 37.92179 90.23821 24.33661 31.52003       45.05921 
1 1 1 -2  -3  22 o 242.4648 14.14607 1423.842       163.2685 1353.052       267.6729 1465.782       206.0338 233.3777 24.34806 245.1327 17.69959 -11.75496      30.10155 
1 1 1 -2  -3  23 o 260.6450 13.39706 1644.804       166.3825 1729.145       251.2805 1578.958       222.0264 265.2517 19.96137 253.9316 18.41365 11.32005       27.15730 
1 1 1 -2  -3  24 o 110.3794 18.93879 305.7274       96.34499 135.8193       166.1310 391.8297       118.2635 82.39754 31.01497 124.8555 20.52487 -42.45800      37.19138 
1 1 1 -2  -3  25 o 272.9227 13.53684 1807.075       176.0791 2074.654       266.8928 1600.852       234.3046 290.3249 19.33870 254.8611 19.37472 35.46384       27.37453 
1 1 1 -2  -3  26 o 78.35606 24.81189 152.4904       104.1865 27.41488       285.9131 171.6418       111.8790 87.16732 37.62217 82.59961 25.64852 4.567711       45.53322 
1 1 1 -2  -3  27 o 256.5480 13.96615 1602.803       170.6526 1750.154       270.4700 1505.345       219.9627 264.8428 21.54705 246.7696 18.78559 18.07317       28.58625 
1 1 1 -2  -3  28 o 245.0409 14.70481 1468.091       171.4761 1516.142       267.9984 1434.783       223.1286 245.0944 23.14540 240.1747 19.60243 4.919708       30.33092 
1 1 1 -2  -3  29 o 213.9279 16.15828 1126.903       164.0394 1641.204       349.8982 982.0192       185.7134 250.3835 29.81488 198.1312 19.87373 52.25229       35.83144 
1 1 1 -2  -3  30 o 143.5577 18.36306 516.7073       123.1498 455.3787       227.3628 542.1700       146.5010 127.7473 35.79974 145.8335 21.67009 -18.08623      41.84751 
1 1 1 -2  -3  31 o 151.0353 18.09355 573.9963       128.0533 415.3990       234.4670 641.4097       152.8647 120.4009 37.08690 158.6265 20.64633 -38.22555      42.44654 
1 1 1 -2  -3  32 o 120.0136 34.96263 415.6161       212.7892 92.17743       344.8783 614.4310       270.3923 93.41663 40.80878 143.5527 38.57642 -50.13609      56.15601 
1 1 1 -2  -3  33 o 80.84084 30.94718 149.0189       167.1091 85.86765       213.6900 248.4399       268.1221 78.91082 33.23629 98.99143 38.83781 -20.08061      51.11777 
1 1 1 -2  -3  34 o 287.8999 15.76224 2081.549       216.1264 2363.699       325.1246 1858.152       289.3001 299.0533 22.91468 264.8295 23.07967 34.22372       32.52312 
1 1 1 -2  -3  35 f 118.0059 28.72168 408.3577       160.4878 301.6686       371.2132 432.8833       177.9808 100.3970 43.09468 119.8731 30.86984 -19.47604      53.01036 
1 1 1 -2  -3  36 o 119.8756 30.93443 447.7975       178.4753 456.9519       229.9516 433.9279       283.0439 114.7215 36.91988 107.9968 40.51862 6.724632       54.81638 
1 1 1 -2  -3  37 o 70.40166 28.93947 121.2569       156.4299 956.2704       386.3895 -42.43449      171.0770 140.4489 47.95055 57.27299 26.49456 83.17595       54.78337 
1 1 1 -2  -2  1  o 325.6291 12.80003 2549.233       198.8821 2604.504       281.2922 2493.987       281.2314 328.2404 17.99375 321.0984 18.39665 7.141998       25.73348 
1 1 1 -2  -2  2  o 186.2238 7.661870 831.6353       68.06905 768.9436       117.0596 863.6628       83.66884 178.3878 13.83371 189.6459 9.256049 -11.25807      16.64470 
1 1 1 -2  -2  3  o 100.4580 8.228703 243.2688       39.17463 253.4692       55.50209 233.1422       55.30103 102.1524 11.56791 97.84200 12.07839 4.310417       16.72436 
1 1 1 -2  -2  4  o 237.2618 8.126505 1349.502       92.04461 1379.359       110.3242 1281.120       166.9606 239.7369 9.645288 230.3232 15.24824 9.413620       18.04274 
1 1 1 -2  -2  5  o 454.2018 9.386002 4943.206       203.8158 4988.147       504.4948 4934.439       222.8082 452.8961 23.37879 453.6924 10.27215 -0.7962952     25.53596 
1 1 1 -2  -2  6  o 276.3425 11.63581 1836.103       153.3839 1859.958       217.1133 1812.335       216.7222 277.3394 16.44832 273.7167 16.63989 3.622742       23.39729 
1 1 1 -2  -2  7  o 118.3103 8.839355 337.3751       49.63651 382.8660       70.68958 293.1314       69.71384 125.6887 11.90582 109.5573 13.60172 16.13138       18.07638 
1 1 1 -2  -2  8  o 196.5589 9.947501 929.8518       93.17533 1015.014       132.2899 846.0156       131.2559 204.8058 13.58747 186.6696 14.82922 18.13622       20.11281 
1 1 1 -2  -2  9  o 207.0182 10.25677 1032.380       101.1982 1028.687       144.1744 1035.967       142.0804 205.8077 14.75053 206.5977 14.47630 -0.7899628     20.66740 
1 1 1 -2  -2  10 o 280.9384 11.90702 1903.493       159.5646 1936.823       226.5409 1870.677       224.7862 282.1487 16.87129 277.2227 17.04264 4.925964       23.98108 
1 1 1 -2  -2  11 o 195.2163 8.444891 915.4800       78.63029 776.9711       115.4560 1035.295       107.3824 179.0720 13.58733 207.3010 10.87288 -28.22897      17.40215 
1 1 1 -2  -2  12 o 219.3310 10.60986 1156.922       110.9246 1243.464       158.4295 1073.704       155.3577 226.7968 14.69040 210.5312 15.54468 16.26564       21.38796 
1 1 1 -2  -2  13 o 90.40552 12.46189 199.8167       52.43130 222.3649       70.33047 171.6072       78.66584 94.84657 16.08412 82.66787 20.10115 12.17870       25.74403 
1 1 1 -2  -2  14 o 167.0462 10.24834 671.0931       81.45225 716.4056       118.4710 630.4733       112.1689 172.1098 14.53358 161.3573 14.70166 10.75249       20.67278 
1 1 1 -2  -2  15 o 314.7837 13.31198 2382.013       199.8858 2534.560       287.7771 2239.813       277.8467 323.8673 18.66484 304.2914 19.19669 19.57587       26.77478 
1 1 1 -2  -2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  -2  17 o 238.8533 13.13295 1373.494       149.3920 1061.772       220.8385 1636.502       202.8503 208.3212 22.53160 260.3071 16.38285 -51.98592      27.85804 
1 1 1 -2  -2  18 o 313.1102 13.86930 2359.793       207.1004 2253.505       299.4605 2457.232       286.7230 304.6711 20.68149 318.5939 18.90926 -13.92282      28.02293 
1 1 1 -2  -2  19 o 278.0459 13.38617 1861.817       177.4204 1841.248       259.6561 1879.830       242.9926 275.2822 19.86288 278.4918 18.35270 -3.209595      27.04358 
1 1 1 -2  -2  20 o 293.6212 13.20027 2077.192       184.8276 2460.619       276.4376 1767.220       248.5519 318.5387 18.22819 269.5044 19.42071 49.03433       26.63514 
1 1 1 -2  -2  21 o 486.5880 17.99994 5741.342       418.0146 5878.146       597.1882 5609.923       585.3146 488.8186 25.64347 477.4580 25.73676 11.36057       36.33137 
1 1 1 -2  -2  22 f 83.32008 22.62190 175.5630       92.41143 14.54637       153.5612 266.9828       115.7088 66.21154 28.04534 102.3208 24.06041 -36.10925      36.95192 
1 1 1 -2  -2  23 o 165.9075 15.00291 671.3370       117.7160 750.0402       192.1610 624.0612       148.9321 172.9727 23.87283 158.6484 20.08504 14.32437       31.19809 
1 1 1 -2  -2  24 o 105.6206 23.33456 285.8563       114.6846 340.2773       280.7584 274.9571       125.6451 116.8714 40.82885 103.1758 25.59561 13.69562       48.18849 
1 1 1 -2  -2  25 o 396.7905 12.47136 3806.992       236.2892 3888.931       443.5483 3774.523       279.2065 395.3217 23.57540 394.1593 14.84301 1.162415       27.85883 
1 1 1 -2  -2  26 o 137.1618 17.68051 467.0095       113.2468 689.1722       193.2889 350.8851       139.7439 164.3031 25.42722 116.2629 25.81384 48.04013       36.23393 
1 1 1 -2  -2  27 o 252.6777 14.15597 1555.081       170.3237 1807.333       265.0515 1377.645       222.2975 269.6985 20.71480 235.6227 19.92020 34.07581       28.73878 
1 1 1 -2  -2  28 o 253.4475 14.35814 1568.339       173.2664 1887.794       272.5026 1351.540       224.4891 275.0457 20.87921 232.7337 20.38114 42.31194       29.17760 
1 1 1 -2  -2  29 o 57.41516 26.64081 -125.3370      174.9440 -383.3788      339.1487 -31.78327      204.2093 71.48950 34.30944 69.69500 30.88568 1.794502       46.16344 
1 1 1 -2  -2  30 o 130.9455 20.20462 435.1822       122.4233 665.1723       216.9380 327.7151       148.2924 157.9293 29.82478 110.7661 27.99459 47.16321       40.90495 
1 1 1 -2  -2  31 o 212.1211 15.52799 1110.951       156.3825 1482.025       262.9831 907.9559       194.5090 240.7513 23.13248 188.6380 21.97885 52.11328       31.90896 
1 1 1 -2  -2  32 o 77.57134 27.14912 148.4107       124.1738 -353.3560      336.0712 227.7425       133.6300 70.46093 33.90284 91.91799 27.93851 -21.45706      43.93134 
1 1 1 -2  -2  33 o 120.3203 28.07434 399.4481       158.5285 267.1536       217.3067 549.9502       231.7787 99.01754 35.78214 137.0023 35.20013 -37.98481      50.19373 
1 1 1 -2  -2  34 o 280.7055 16.50992 1982.793       220.5882 2152.342       388.2712 1901.985       268.0492 277.7427 29.70099 270.9322 20.85442 6.810516       36.29126 
1 1 1 -2  -2  35 o 114.1328 23.61726 359.8543       124.6174 761.0666       228.6230 190.2626       148.6398 160.5294 30.91050 82.75130 29.63253 77.77812       42.81992 
1 1 1 -2  -2  36 o 78.40725 31.04126 158.9139       172.6606 -170.5858      227.2123 609.2233       265.6195 59.57542 28.45419 131.3642 39.27203 -71.78873      48.49673 
1 1 1 -2  -2  37 o 63.62010 26.92480 71.86013       141.3353 -346.9520      229.0555 329.3507       179.6022 51.29013 25.36309 98.48766 32.68760 -47.19753      41.37349 
1 1 1 -2  -1  1  o 192.0648 6.679400 883.8847       61.23956 849.8848       86.68796 917.7561       86.52390 188.0828 9.673033 195.5048 9.283522 -7.421982      13.40714 
1 1 1 -2  -1  2  o 19.46755 6.974133 7.637702       8.234310 17.06036       11.81591 -1.259057      11.48144 26.79756 8.337597 17.52638 7.551680 9.271175       11.24915 
1 1 1 -2  -1  3  f 231.2884 7.978436 1282.361       88.09051 1200.329       160.3100 1317.846       105.4353 222.9244 15.13130 234.3409 9.430129 -11.41652      17.82929 
1 1 1 -2  -1  4  f 298.1538 6.972551 2127.658       99.38948 1917.737       140.6205 2337.208       140.4955 282.6552 10.42384 312.1891 9.423969 -29.53391      14.05232 
1 1 1 -2  -1  5  o 44.92694 9.304037 50.14960       19.32601 93.47578       28.42838 12.92187       26.35180 61.67429 9.982275 30.91287 12.16136 30.76142       15.73354 
1 1 1 -2  -1  6  o 268.1976 11.46219 1729.063       146.6318 1722.352       207.5935 1735.745       207.1446 266.9105 16.34661 267.9685 16.24525 -1.058044      23.04604 
1 1 1 -2  -1  7  o 845.1420 11.58941 17150.16       468.2734 17438.31       1626.576 17124.12       488.9747 830.3124 41.10328 844.3270 12.11344 -14.01459      42.85108 
1 1 1 -2  -1  8  o 32.19517 12.02244 18.74025       24.85868 24.19512       32.66676 11.23550       38.31618 36.74244 13.76931 35.31476 14.39693 1.427677       19.92148 
1 1 1 -2  -1  9  o 438.8951 16.24067 4670.699       340.1913 4524.120       481.4091 4816.905       480.7978 428.6028 23.58458 442.7166 22.79254 -14.11377      32.79836 
1 1 1 -2  -1  10 o 180.9652 8.492063 787.4754       73.26620 842.7097       107.7757 740.0185       99.90005 186.6589 12.14304 174.8880 12.02118 11.77095       17.08690 
1 1 1 -2  -1  11 o 526.6837 10.17207 6662.789       256.1341 6723.002       279.0125 6340.141       645.8651 528.8348 11.03558 506.0151 26.79295 22.81970       28.97665 
1 1 1 -2  -1  12 o 422.2313 10.22588 4277.931       206.4236 4218.914       231.3570 4508.317       457.1122 418.9301 11.56241 429.8400 22.32019 -10.90988      25.13723 
1 1 1 -2  -1  13 o 628.5955 10.82385 9476.354       325.2831 9550.312       349.2494 8992.290       893.5027 630.8950 11.57898 604.5234 31.01908 26.37164       33.10976 
1 1 1 -2  -1  14 o 66.40074 14.61468 110.0436       45.13490 39.61638       70.46291 159.0457       58.77568 51.38883 19.98250 79.94057 15.93825 -28.55174      25.56028 
1 1 1 -2  -1  15 o 547.8289 19.20185 7240.782       502.1393 7681.278       712.0865 6805.089       708.1939 561.9244 26.58150 528.2735 28.14200 33.65094       38.71109 
1 1 1 -2  -1  16 o 522.7577 18.84262 6593.448       470.1529 6660.176       667.5963 6527.788       662.2294 522.9474 26.79152 517.6906 26.84827 5.256775       37.92908 
1 1 1 -2  -1  17 o 510.6981 12.78650 6262.856       311.9483 6108.714       353.1233 6810.609       665.6685 504.0096 14.67039 528.7433 26.41694 -24.73364      30.21713 
1 1 1 -2  -1  18 o 343.4948 14.84688 2841.640       243.2411 2138.739       348.5485 3508.972       339.6151 295.7771 24.87888 380.9774 18.70289 -85.20029      31.12486 
1 1 1 -2  -1  19 o 529.1558 11.78943 6719.723       298.2529 6643.431       684.2443 6737.618       331.3916 520.9185 27.57291 529.6187 13.08790 -8.700195      30.52144 
1 1 1 -2  -1  20 o 211.5647 16.43927 1085.773       164.9737 1076.065       272.9397 1091.361       207.0826 207.7269 28.21154 211.2027 20.77730 -3.475769      35.03694 
1 1 1 -2  -1  21 o 269.9888 13.52427 1759.331       174.0136 1987.037       260.3167 1575.383       233.9709 285.6382 19.17344 254.1334 19.40386 31.50479       27.27876 
1 1 1 -2  -1  22 o 129.2599 17.54995 412.1092       105.6557 310.3650       171.9878 473.7805       133.9013 109.9650 31.24815 137.9294 20.96493 -27.96440      37.62944 
1 1 1 -2  -1  23 o 376.6076 11.62254 3418.338       209.0155 4031.431       335.2382 3028.447       267.3391 407.0569 17.26543 353.1993 15.87250 53.85760       23.45274 
1 1 1 -2  -1  24 o 323.2565 13.02565 2528.161       200.8929 2532.097       331.1641 2525.869       252.6997 320.1118 21.76830 321.9605 16.47174 -1.848755      27.29794 
1 1 1 -2  -1  25 o 172.8941 17.32466 735.9492       141.2762 1180.513       305.7888 615.3061       159.2962 213.6713 30.82437 156.5499 21.88039 57.12148       37.80070 
1 1 1 -2  -1  26 o 93.59883 23.73379 226.1699       106.3393 486.3728       187.0734 101.9579       129.2521 136.0394 29.60615 72.36479 27.33082 63.67464       40.29265 
1 1 1 -2  -1  27 o 336.0134 13.53657 2742.492       217.0120 3240.073       365.6053 2471.816       269.6528 361.1623 21.26809 317.1032 17.85890 44.05908       27.77178 
1 1 1 -2  -1  28 o 65.82577 24.86497 84.34364       106.9908 387.4363       184.6864 -68.75411      131.2598 119.9060 31.72894 52.40596 23.85478 67.50000       39.69605 
1 1 1 -2  -1  29 o 174.1203 16.56650 750.0352       136.2480 1120.924       226.1700 538.7700       170.6975 210.2580 22.86750 143.7935 25.77706 66.46448       34.45837 
1 1 1 -2  -1  30 o 126.4551 26.95521 423.0394       157.9787 429.3512       214.4482 415.5493       233.6113 124.5326 34.72058 122.1245 36.90253 2.408096       50.66868 
1 1 1 -2  -1  31 o 94.76268 26.04145 238.7361       121.6062 167.9013       219.3097 270.1847       146.1286 89.73686 35.14937 100.1993 28.90947 -10.46242      45.51083 
1 1 1 -2  -1  32 o 129.3320 21.21629 432.8423       126.6401 700.6594       215.5012 291.5677       156.5174 160.5674 29.14578 102.8223 29.99429 57.74512       41.82265 
1 1 1 -2  -1  33 o 63.68772 27.51215 16.44639       153.1581 -70.60587      202.9533 131.6023       233.4260 64.84930 29.57430 85.37042 35.24816 -20.52113      46.01165 
1 1 1 -2  -1  34 o 138.6336 21.89679 506.8585       140.3171 518.6061       260.8424 502.0747       166.4528 128.1925 39.04782 135.0190 26.73244 -6.826477      47.32183 
1 1 1 -2  -1  35 o 43.23056 20.54545 -116.3387      115.4817 -303.3714      209.1082 -34.26399      138.5215 51.81549 25.34304 54.72630 24.74974 -2.910805      35.42343 
1 1 1 -2  -1  36 o 110.8076 27.79872 363.1255       147.0000 340.5468       368.8348 367.3893       160.2799 100.4236 43.02838 109.9195 29.77078 -9.495880      52.32343 
1 1 1 -2  -1  37 o 56.18622 24.42263 27.51077       122.2182 -66.35564      220.5460 69.11237       146.8247 62.53098 29.30976 64.07718 27.29289 -1.546204      40.04951 
1 1 1 -2  0   1  o 432.1413 7.041587 4469.778       145.4805 4494.540       205.9397 4445.111       205.5418 433.0609 9.946787 430.6690 9.982702 2.391815       14.09230 
1 1 1 -2  0   2  o 37.83787 8.283491 35.62436       14.56820 28.00107       20.52612 43.36226       20.67983 34.55798 11.02130 41.71782 10.40420 -7.159843      15.15640 
1 1 1 -2  0   3  o 183.4767 6.897378 806.8347       60.39478 780.9347       85.69525 832.3940       85.12980 180.2396 9.983853 186.1389 9.598547 -5.899216      13.84953 
1 1 1 -2  0   4  o 131.8821 8.753829 418.4129       54.88165 379.4081       77.85580 456.9376       77.37518 125.0136 13.22679 137.4998 11.88703 -12.48619      17.78341 
1 1 1 -2  0   5  o 399.9739 14.95321 3852.056       285.4363 3823.409       403.8971 3880.638       403.4390 396.9945 21.35895 400.0137 21.17112 -3.019196      30.07359 
1 1 1 -2  0   6  o 356.3619 9.009694 3044.822       153.3774 3016.674       329.2783 3052.622       173.3292 352.7482 19.60203 356.6717 10.17510 -3.923492      22.08557 
1 1 1 -2  0   7  o 169.7264 8.506403 692.0028       68.80455 688.0192       109.9362 694.5680       88.21819 168.5697 13.76083 169.7724 10.92685 -1.202744      17.57147 
1 1 1 -2  0   8  o 204.6116 7.810690 1004.696       76.26579 1215.060       112.0397 823.0610       104.1086 224.7191 10.45722 184.6596 11.85514 40.05945       15.80816 
1 1 1 -2  0   9  o 40.72496 14.23539 35.59090       34.13295 39.90972       43.93953 29.01892       54.20278 44.48567 16.08812 44.61933 17.47512 -0.1336594     23.75305 
1 1 1 -2  0   10 o 268.6834 9.127455 1735.211       117.0760 1746.085       213.3840 1730.527       140.0358 267.7984 16.75043 267.9969 10.95259 -0.1985474     20.01340 
1 1 1 -2  0   11 o 282.5137 12.01271 1924.316       161.8812 2005.899       230.4885 1844.896       227.4117 287.2807 16.85570 275.3302 17.36474 11.95053       24.20018 
1 1 1 -2  0   12 o 158.4294 10.15955 604.7647       76.54620 597.5458       111.3025 611.2432       105.4406 156.7413 15.03719 158.7157 14.04034 -1.974411      20.57300 
1 1 1 -2  0   13 o 228.3482 9.738136 1252.099       106.0678 1442.298       143.7853 1025.036       157.1028 244.7934 12.32554 205.6951 16.10368 39.09831       20.27924 
1 1 1 -2  0   14 o 134.4978 11.29287 436.7578       71.94530 401.4619       99.63966 475.2043       103.9919 128.1179 16.66155 139.6988 15.85016 -11.58090      22.99641 
1 1 1 -2  0   15 o 290.5075 10.26053 2024.631       142.2830 2189.627       181.3423 1760.383       229.4928 301.8618 12.59324 269.8331 17.89060 32.02875       21.87838 
1 1 1 -2  0   16 o 37.34740 17.39958 -70.62470      75.80861 125.5242       122.9320 -190.9896      96.29903 76.58967 26.99658 34.78289 17.05111 41.80677       31.93048 
1 1 1 -2  0   17 o 392.4066 16.40490 3711.107       307.0854 3711.107       307.0854 0.000000       0.000000 392.4066 16.40490 ?        ?        0.000000       16.40490 
1 1 1 -2  0   18 o 137.3001 16.53743 460.2225       106.3710 251.7365       163.2153 614.1583       140.2465 101.1185 30.90499 158.4723 18.88197 -57.35381      36.21667 
1 1 1 -2  0   19 o 413.9584 16.45745 4134.125       325.0581 3729.927       465.2299 4519.665       454.3659 390.7965 25.03215 431.3015 22.10894 -40.50500      33.39781 
1 1 1 -2  0   20 o 298.3571 13.03325 2143.731       185.4591 2032.754       290.4702 2220.107       240.9689 288.7556 21.18836 302.9257 16.70325 -14.17010      26.98046 
1 1 1 -2  0   21 f 262.3726 13.55238 1661.753       169.4213 1960.623       254.3051 1423.241       227.1789 283.8171 18.84846 241.3649 19.86289 42.45229       27.38245 
1 1 1 -2  0   22 o 401.0975 15.82653 3895.825       302.8940 4232.729       437.0759 3584.526       420.1397 415.6187 22.07567 381.9260 23.11769 33.69275       31.96503 
1 1 1 -2  0   23 o 129.9743 22.27790 425.2878       133.4541 736.7861       175.7888 1.524745       205.0336 172.0983 21.85755 74.15125 31.93074 97.94707       38.69528 
1 1 1 -2  0   24 o 136.7725 17.64385 462.8731       112.6870 368.0919       178.9172 525.1920       145.0777 118.4072 31.18104 144.6847 21.63688 -26.27752      37.95276 
1 1 1 -2  0   25 f 354.3396 13.18448 3041.274       222.9631 3284.445       379.4311 2913.020       275.5579 364.1251 21.89703 345.3924 16.73734 18.73270       27.56118 
1 1 1 -2  0   26 o 160.6701 18.88077 641.1562       142.2670 424.3734       303.3877 702.2621       161.0747 126.1420 42.49509 167.7007 20.51701 -41.55867      47.18877 
1 1 1 -2  0   27 o 272.8842 14.47011 1814.812       188.1063 1882.556       283.4766 1761.514       251.4403 274.6886 21.76355 266.5928 19.87069 8.095825       29.47026 
1 1 1 -2  0   28 o 247.2050 17.21056 1505.898       202.1343 1365.703       335.6111 1585.702       253.2124 227.4796 31.72078 251.7717 21.23407 -24.29205      38.17189 
1 1 1 -2  0   29 o 130.5547 20.69646 433.4035       124.8765 423.2383       206.5456 439.2600       156.7750 124.0761 33.87515 129.2949 26.25950 -5.218872      42.86125 
1 1 1 -2  0   30 o 96.18980 27.96777 245.0262       136.2808 476.1944       332.4355 198.3292       149.4128 128.9810 44.46244 88.59259 29.82169 40.38846       53.53729 
1 1 1 -2  0   31 o 135.6397 20.91869 470.4339       131.2968 575.1224       220.5085 412.9319       163.4246 144.3141 32.71736 123.8586 28.22881 20.45551       43.21216 
1 1 1 -2  0   32 o 226.6307 16.07745 1276.289       173.0675 1262.526       274.1998 1285.402       223.1281 218.2877 26.83847 224.4676 21.03693 -6.179871      34.10068 
1 1 1 -2  0   33 o 178.4381 20.88307 820.1207       174.7860 932.5504       234.2525 678.9131       262.5263 186.0948 27.12704 151.3108 36.67696 34.78409       45.61880 
1 1 1 -2  0   34 o 179.4842 17.72511 818.5604       150.1146 921.8369       241.3702 753.4164       191.6988 182.5572 28.59308 167.6904 24.64602 14.86681       37.74905 
1 1 1 -2  0   35 o 187.4373 20.80814 928.1679       183.3269 982.6703       248.9938 863.6447       270.9183 185.0872 29.09787 167.1811 35.01910 17.90614       45.53047 
1 1 1 -2  0   36 o 76.74495 27.63538 162.3647       129.4807 -151.2416      220.7490 326.8483       159.8702 59.70923 28.38526 103.0866 30.38050 -43.37735      41.57761 
1 1 1 -2  0   37 f 45.25286 21.44591 -100.5393      124.0989 -208.0339      220.3439 -50.60174      150.1831 55.51597 26.89259 53.77433 24.85771 1.741646       36.62127 
1 1 1 -2  1   1  o 382.4104 8.754573 3502.667       160.0564 3361.639       363.2871 3536.636       178.2932 372.4423 20.48131 384.0499 9.718245 -11.60764      22.66999 
1 1 1 -2  1   2  o 72.15531 7.866139 126.1279       26.69665 117.3964       36.43530 136.2496       39.22882 69.05604 11.43592 74.52985 11.36881 -5.473808      16.12545 
1 1 1 -2  1   3  o 415.3527 7.149667 4129.409       141.9748 4213.747       200.9131 4045.291       200.6524 419.3050 10.02236 410.8173 10.21615 8.487762       14.31145 
1 1 1 -2  1   4  o 357.4392 8.801443 3060.253       150.4058 2925.083       325.5466 3096.935       169.5908 347.5229 19.67428 359.3464 9.880819 -11.82346      22.01608 
1 1 1 -2  1   5  o 404.6909 9.309656 3924.479       180.1215 3904.080       200.0673 4011.753       413.8238 403.3860 10.38265 406.5243 21.36722 -3.138245      23.75621 
1 1 1 -2  1   6  o 624.9271 10.35435 9366.702       309.3573 9148.820       897.8582 9396.052       329.5355 608.9077 30.94383 625.7682 11.01490 -16.86047      32.84583 
1 1 1 -2  1   7  o 201.5232 9.088968 975.6656       87.34312 863.7640       109.4205 1172.183       145.0044 189.1987 12.16125 220.2521 13.84058 -31.05339      18.42437 
1 1 1 -2  1   8  o 344.2653 13.53953 2860.247       222.4115 2888.890       314.6985 2831.662       314.3766 344.3521 19.19133 340.8537 19.37160 3.498383       27.26840 
1 1 1 -2  1   9  f 270.9552 9.308593 1764.835       120.4050 1882.422       218.7611 1713.734       144.2141 278.2098 16.52150 266.6377 11.33889 11.57211       20.03822 
1 1 1 -2  1   10 o 114.3750 11.38627 317.8655       61.43551 336.9103       90.51537 301.5981       83.65543 116.7494 16.69102 110.4208 16.33911 6.328560       23.35716 
1 1 1 -2  1   11 o 223.0333 9.549922 1196.217       101.5948 1251.601       132.1011 1116.032       158.9488 227.7300 12.17755 214.3306 15.61909 13.39948       19.80527 
1 1 1 -2  1   12 o 318.7275 9.909417 2439.309       150.8162 2445.082       179.5432 2425.471       277.9578 318.8072 11.80001 316.0780 18.47454 2.729126       21.92142 
1 1 1 -2  1   13 o 114.4924 11.94188 317.9758       64.40707 237.0542       86.01466 421.2554       97.17342 97.43727 19.14771 131.3683 15.78811 -33.93098      24.81732 
1 1 1 -2  1   14 o 563.2849 19.97283 7665.481       537.0172 7331.729       760.0615 7998.173       758.8539 547.6178 29.13592 572.5903 27.80392 -24.97247      40.27356 
1 1 1 -2  1   15 o 384.6382 10.37184 3547.672       190.5548 3751.842       392.2080 3484.586       218.0158 393.7057 20.91207 381.0004 11.98380 12.70529       24.10241 
1 1 1 -2  1   16 o 598.2209 21.15074 8654.043       603.9649 8580.896       855.7484 8726.641       852.5314 592.1119 30.33076 597.3043 29.94983 -5.192322      42.62566 
1 1 1 -2  1   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  1   18 o 305.7290 14.28699 2251.177       208.2491 1746.222       299.6744 2722.756       289.6012 267.3087 23.69439 335.5698 18.11852 -68.26108      29.82792 
1 1 1 -2  1   19 o 321.2825 14.47682 2487.365       221.7948 2261.792       319.9008 2696.170       307.7805 304.6868 22.11153 333.4888 19.38779 -28.80200      29.40759 
1 1 1 -2  1   20 o 414.5414 16.17561 4149.903       319.9651 4347.446       457.2916 3960.430       447.8538 422.2458 22.73653 402.7377 23.36004 19.50815       32.59818 
1 1 1 -2  1   21 o 122.6181 21.69417 376.4404       122.5240 303.1573       258.3557 397.7049       139.1697 113.2708 39.18976 125.5591 24.05949 -12.28828      45.98583 
1 1 1 -2  1   22 o 206.7175 14.24848 1035.936       139.9553 862.7247       209.3767 1175.838       188.1706 186.0432 24.10617 219.3987 18.10033 -33.35547      30.14514 
1 1 1 -2  1   23 o 321.3526 14.45410 2501.658       221.4972 2641.877       321.2054 2374.528       305.8474 328.0571 20.58351 310.9077 20.69398 17.14935       29.18770 
1 1 1 -2  1   24 o 147.9772 19.41535 544.3433       134.0461 396.0897       276.1552 590.0411       153.3197 123.1594 40.51852 153.5338 21.47396 -30.37441      45.85719 
1 1 1 -2  1   25 o 172.6070 15.65229 729.9945       127.7622 627.5920       196.8600 804.5145       167.9340 156.0431 27.38629 179.9948 19.84403 -23.95163      33.82003 
1 1 1 -2  1   26 o 253.6922 14.13640 1566.058       170.7786 1933.326       256.2451 1272.562       229.0683 279.9269 19.26455 225.9623 21.46147 53.96455       28.83951 
1 1 1 -2  1   27 o 95.84627 26.92874 239.6175       128.4712 -26.71450      293.3558 302.8180       142.9036 83.88551 37.10397 107.2526 27.68236 -23.36710      46.29274 
1 1 1 -2  1   28 o 271.7558 14.69353 1804.758       190.1933 1919.645       284.0200 1711.354       256.0909 276.8470 21.63014 261.8595 20.62216 14.98752       29.88539 
1 1 1 -2  1   29 o 264.8408 14.72818 1717.699       185.7498 2125.036       280.9901 1401.533       247.5548 291.6416 20.27902 235.5262 22.24854 56.11545       30.10376 
1 1 1 -2  1   30 o 286.7075 15.17447 2017.048       207.2581 2030.391       309.4359 2006.191       279.1177 282.9537 23.07442 282.7717 20.79171 0.1819458      31.06001 
1 1 1 -2  1   31 o 111.9197 24.72243 331.0910       128.7496 339.9906       213.4855 326.0038       161.4055 110.8097 35.56514 109.3635 29.98097 1.446266       46.51599 
1 1 1 -2  1   32 o 187.7359 20.10336 897.5642       177.6303 897.2231       381.7010 897.6585       200.6853 167.1298 46.21871 186.0014 23.06154 -18.87169      51.65272 
1 1 1 -2  1   33 o 174.0147 21.72410 785.7831       176.8066 864.7366       235.7355 684.2585       267.3161 177.7651 28.71616 151.2192 37.22831 26.54590       47.01664 
1 1 1 -2  1   34 o 69.89755 26.89796 105.3571       126.6912 -59.09225      212.5825 195.9357       157.7699 66.34330 30.26030 85.82405 30.55166 -19.48075      43.00104 
1 1 1 -2  1   35 o 277.3816 16.95565 1963.722       223.7796 2131.349       329.5513 1820.295       304.8362 279.0448 24.96599 257.6615 25.06251 21.38327       35.37556 
1 1 1 -2  1   36 o 167.0869 19.97747 744.2112       156.4258 821.1687       259.0703 700.0576       196.2342 160.0850 34.84160 155.3568 27.42242 4.728165       44.33877 
1 1 1 -2  1   37 o 67.82424 30.98927 15.23979       224.1977 44.59336       405.4587 2.312259       269.0753 81.24806 38.58001 71.06536 32.99688 10.18270       50.76624 
1 1 1 -2  2   1  o 473.7215 9.184287 5376.183       208.0065 5075.163       527.4297 5431.625       226.3528 456.6891 24.24344 476.0682 9.945080 -19.37903      26.20399 
1 1 1 -2  2   2  o 27.26700 8.580596 17.55350       12.47818 27.68408       16.65113 4.576827       18.84552 33.66479 9.772473 24.51574 10.05749 9.149055       14.02335 
1 1 1 -2  2   3  f 329.3178 8.627081 2599.506       135.7104 2616.978       154.1900 2539.439       285.8902 330.2964 9.775121 323.8951 18.53978 6.401276       20.95892 
1 1 1 -2  2   4  o 165.3691 8.478513 656.7943       66.80829 770.6314       108.1120 586.4683       84.97472 178.6797 12.73938 155.9162 11.48011 22.76355       17.14890 
1 1 1 -2  2   5  o 453.2029 9.316994 4923.391       201.8724 4996.645       221.7998 4569.802       487.3008 456.4422 10.16406 432.7789 23.64151 23.66333       25.73381 
1 1 1 -2  2   6  o 403.1494 9.237055 3897.173       178.0360 3955.088       199.0164 3665.119       398.3722 405.8590 10.26488 387.7434 21.57506 18.11560       23.89249 
1 1 1 -2  2   7  o 142.5117 9.383594 489.3933       63.57771 451.3444       90.11937 527.0947       89.70696 136.1346 14.04806 147.4278 12.85581 -11.29321      19.04258 
1 1 1 -2  2   8  o 157.1962 9.663838 595.6783       72.27628 587.7062       102.5678 603.5413       101.8640 155.4323 13.95086 157.5847 13.65532 -2.152481      19.52163 
1 1 1 -2  2   9  o 118.5734 10.18193 340.4025       57.16160 415.0491       87.17860 284.1082       75.70716 130.3145 14.22359 107.3378 15.17565 22.97670       20.79930 
1 1 1 -2  2   10 o 218.2660 9.774549 1146.518       101.7391 1039.462       129.4950 1319.172       164.4512 207.2287 13.13822 233.1787 14.82844 -25.95007      19.81150 
1 1 1 -2  2   11 o 29.91315 13.40070 -17.84424      39.53552 -25.74838      45.63469 5.939027       79.15957 31.31696 14.18009 47.79328 20.18468 -16.47632      24.66771 
1 1 1 -2  2   12 f 263.3925 8.715141 1664.276       109.5943 1660.162       154.8182 1668.409       155.1618 262.5963 12.36650 263.2497 12.36299 -0.6533813     17.48639 
1 1 1 -2  2   13 o 367.6225 14.32090 3252.733       251.2170 3419.756       355.3156 3085.788       355.2335 375.7967 19.84703 356.6637 20.92467 19.13306       28.84002 
1 1 1 -2  2   14 o 115.5760 12.99094 324.5408       70.54075 321.1721       89.27438 330.1398       115.0925 114.3443 16.83392 115.0652 21.71756 -0.7208328     27.47787 
1 1 1 -2  2   15 o 324.4649 10.25471 2525.150       158.8744 2259.312       281.4187 2649.513       192.4816 305.5269 19.36582 332.1438 12.14189 -26.61688      22.85739 
1 1 1 -2  2   16 o 316.4259 12.60923 2406.284       190.3700 2689.160       260.0730 2079.770       279.4140 333.9509 16.33897 292.8915 20.07554 41.05939       25.88415 
1 1 1 -2  2   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  2   18 o 205.8825 15.38639 1025.346       150.3531 795.0359       253.1959 1150.796       186.8675 177.6998 30.92579 217.7094 18.11752 -40.00955      35.84200 
1 1 1 -2  2   19 o 226.7515 14.66758 1242.091       158.1542 1261.687       217.9019 1220.276       229.9086 227.4761 20.24764 223.3305 21.81036 4.145599       29.76002 
1 1 1 -2  2   20 o 225.2311 13.51821 1224.727       144.8947 1487.320       215.1495 1006.777       196.0094 247.3307 18.32525 202.7466 20.50305 44.58417       27.49891 
1 1 1 -2  2   21 o 388.0186 15.65716 3641.594       289.8552 3842.628       415.3263 3450.703       404.7139 396.3730 22.00313 375.2943 22.66189 21.07880       31.58638 
1 1 1 -2  2   22 o 119.9514 23.92764 365.1411       132.4052 436.5188       167.5313 246.3690       216.1084 130.4292 27.72177 102.6102 35.82265 27.81901       45.29635 
1 1 1 -2  2   23 o 299.5342 14.38351 2174.831       205.3756 2138.949       299.1520 2206.819       282.4564 294.5990 21.38550 299.8915 19.81156 -5.292572      29.15197 
1 1 1 -2  2   24 o 256.6157 15.08830 1602.844       184.2940 1906.824       303.3564 1425.023       232.0186 276.7620 23.13808 240.1145 20.40445 36.64749       30.84983 
1 1 1 -2  2   25 o 90.93818 24.63104 213.2254       109.7114 133.1687       175.9807 264.1223       140.3174 82.96087 31.75821 100.7167 28.08727 -17.75584      42.39668 
1 1 1 -2  2   26 o 45.97794 21.15860 -74.31969      107.0769 -329.8376      177.1741 72.71160       134.3985 47.19665 23.13480 68.89115 27.35058 -21.69450      35.82281 
1 1 1 -2  2   27 f 194.9399 18.33777 941.4920       168.8980 1044.255       227.5177 815.3401       252.0823 203.0080 23.89933 175.6362 31.16176 27.37177       39.27128 
1 1 1 -2  2   28 o 328.6831 15.30198 2644.028       239.7948 2934.991       360.6501 2413.471       321.0381 342.0408 22.17413 310.3097 21.77806 31.73117       31.08016 
1 1 1 -2  2   29 o 163.1532 22.02501 677.7558       167.4149 1037.681       222.7216 210.2301       253.8394 201.5996 23.55132 97.86158 37.96218 103.7380       44.67429 
1 1 1 -2  2   30 o 291.8627 15.08297 2090.470       209.7480 2580.574       317.1048 1709.259       279.6671 320.7165 20.79316 259.5360 22.76949 61.18051       30.83513 
1 1 1 -2  2   31 o 105.0048 35.54418 299.3124       212.2580 234.5103       362.6609 333.0765       261.7782 106.4755 43.94600 110.4764 39.35123 -4.000916      58.98957 
1 1 1 -2  2   32 o 142.7179 21.97354 529.4265       145.1261 723.9197       245.8160 425.3632       179.8070 159.9641 33.22958 123.2560 30.64395 36.70809       45.20240 
1 1 1 -2  2   33 o 85.58589 27.22608 197.4692       125.3241 68.56275       220.2470 259.1906       152.4019 77.85186 33.30120 96.40548 29.93524 -18.55362      44.77822 
1 1 1 -2  2   34 o 108.3603 25.89605 325.2987       132.3239 377.3423       232.7409 300.4406       160.8506 110.8830 37.21908 102.0751 30.57133 8.807816       48.16499 
1 1 1 -2  2   35 o 81.94719 28.59151 188.0145       137.6552 -244.1918      234.4018 415.5408       170.0714 57.97827 28.00072 117.9662 30.07012 -59.98796      41.08835 
1 1 1 -2  2   36 o 60.56156 25.91534 42.65937       133.4784 -25.78102      236.3598 74.70625       161.7373 68.34207 31.44510 67.69911 28.73336 0.6429596      42.59578 
1 1 1 -2  2   37 o 68.29938 28.71654 99.74186       159.0817 -84.35853      437.6717 127.7662       170.7609 77.76114 37.72332 72.21758 30.01230 5.543564       48.20567 
1 1 1 -2  3   1  o 218.9989 5.950878 1148.549       62.24846 1052.152       145.0427 1170.313       68.91821 208.6159 14.63539 221.0251 6.529205 -12.40926      16.02577 
1 1 1 -2  3   2  o 201.7729 6.857672 975.7631       66.05662 967.2963       92.94780 984.4036       93.89574 200.6287 9.719228 202.3977 9.732100 -1.769028      13.75417 
1 1 1 -2  3   3  o 287.4437 8.390394 1981.367       115.1804 2014.934       133.6255 1884.334       227.1936 289.7213 9.660696 278.8991 17.12139 10.82227       19.65886 
1 1 1 -2  3   4  o 226.1706 8.271442 1227.423       89.28810 1227.466       107.7425 1227.329       159.5379 225.9781 9.997434 225.2115 14.90095 0.7666168      17.94399 
1 1 1 -2  3   5  o 152.9437 9.262742 563.1260       67.41227 624.6829       94.80077 500.1608       95.87907 160.6861 12.43703 143.3914 14.17105 17.29463       18.85467 
1 1 1 -2  3   6  o 242.1857 10.96333 1412.722       126.6111 1416.928       178.7251 1408.484       179.3870 241.6317 15.55378 240.8827 15.66167 0.7490082      22.07279 
1 1 1 -2  3   7  o 41.49924 15.03863 34.48003       38.41896 38.12712       51.09704 29.73670       58.27258 45.85051 17.21293 45.91775 18.07844 -0.6723785E-01 24.96227 
1 1 1 -2  3   8  o 152.8306 9.616097 563.2972       69.90536 603.3011       98.56879 522.8151       99.15607 157.5921 13.20395 146.4034 14.35055 11.18867       19.50084 
1 1 1 -2  3   9  o 250.1211 9.219446 1503.943       110.0575 1452.890       188.1751 1530.486       135.6844 244.3965 16.19630 251.9692 11.29221 -7.572693      19.74422 
1 1 1 -2  3   10 o 105.7205 12.74409 272.8705       63.11563 329.4333       89.59706 217.1534       88.92469 115.5478 16.70310 92.69773 20.59981 22.85006       26.52066 
1 1 1 -2  3   11 o 165.5916 10.15552 660.2605       80.01198 735.6179       113.8724 586.7753       112.4491 174.3181 13.77558 155.3043 15.34516 19.01382       20.62136 
1 1 1 -2  3   12 o 240.8692 10.44850 1393.705       120.0354 1227.548       152.4103 1665.130       194.7958 225.5363 14.20698 262.5855 15.58687 -37.04921      21.09001 
1 1 1 -2  3   13 o 379.4324 14.64596 3464.340       265.1823 3549.127       375.4761 3379.959       374.5742 382.8338 20.59039 373.4599 21.06443 9.373932       29.45631 
1 1 1 -2  3   14 o 258.0235 11.92472 1600.022       146.7033 1601.414       207.8432 1598.641       207.0983 257.4310 16.98241 257.2148 16.93540 0.2162476      23.98354 
1 1 1 -2  3   15 o 576.8646 8.612021 7968.626       237.5130 7865.265       336.2014 8071.611       335.5876 572.5957 12.28127 580.0881 12.10051 -7.492432      17.24099 
1 1 1 -2  3   16 o 152.1061 18.68979 565.9850       133.0588 485.8269       161.7953 733.4766       233.8776 139.4237 25.20016 171.0113 29.68182 -31.58766      38.93659 
1 1 1 -2  3   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  3   18 o 381.1905 13.36459 3495.409       243.1832 2827.259       382.5781 3948.396       315.0111 340.4166 23.65434 404.5577 16.32034 -64.14114      28.73816 
1 1 1 -2  3   19 o 357.8664 14.08515 3085.523       240.5148 3045.447       317.3058 3139.644       368.7374 354.4529 18.79169 359.1247 21.57600 -4.671814      28.61209 
1 1 1 -2  3   20 o 123.5918 22.84177 383.5382       129.9966 107.7424       266.6061 469.5613       148.8963 93.66731 38.05432 136.8899 23.60345 -43.22258      44.78006 
1 1 1 -2  3   21 o 409.2989 13.60301 4041.978       265.8153 4373.248       342.5803 3540.800       421.3741 424.7019 16.90591 379.6246 23.32963 45.07727       28.81113 
1 1 1 -2  3   22 o 379.2595 13.73177 3476.313       248.5730 3828.092       334.1215 3040.274       371.9904 396.6125 17.66529 351.5054 22.24978 45.10718       28.40977 
1 1 1 -2  3   23 o 154.5152 24.67150 604.5463       176.1270 284.6131       284.7794 802.7261       224.1344 111.2500 40.84673 177.5428 27.27685 -66.29283      49.11702 
1 1 1 -2  3   24 o 110.0946 24.62721 312.7386       126.3755 485.9998       289.5782 271.9767       140.4567 133.7072 41.22102 102.2458 27.94276 31.46141       49.79930 
1 1 1 -2  3   25 o 443.6339 16.94861 4811.413       358.8126 5587.208       516.3124 4086.756       499.0054 473.8736 22.85727 402.7422 26.05594 71.13138       34.66074 
1 1 1 -2  3   26 o 593.7842 13.37401 8548.695       379.6632 10320.24       921.1127 8186.129       416.7072 633.3495 30.50986 579.7883 15.04598 53.56128       34.01812 
1 1 1 -2  3   27 o 221.3420 15.32744 1200.309       161.1948 1434.807       249.3418 1031.932       211.2840 239.1187 22.05940 202.4432 22.19343 36.67542       31.29162 
1 1 1 -2  3   28 o 72.01861 26.63378 110.5917       121.4439 -191.6960      204.2159 275.9875       151.0573 58.95443 27.81040 101.8146 29.39827 -42.86012      40.46822 
1 1 1 -2  3   29 o 60.33743 27.01964 -46.20090      160.5551 134.3999       208.0098 -312.3811      252.5293 85.35011 33.98007 61.19398 29.42974 24.15612       44.95280 
1 1 1 -2  3   30 o 275.3777 16.77790 1874.736       219.8411 2947.895       399.1040 1407.282       263.4048 339.2439 24.77826 234.4877 23.82658 104.7562       34.37540 
1 1 1 -2  3   31 o 186.8643 21.90728 893.9689       192.0029 934.1623       259.5672 845.4034       285.3227 185.8230 30.25752 172.7414 35.72857 13.08162       46.81932 
1 1 1 -2  3   32 o 362.6898 16.43002 3274.901       284.1531 3801.020       426.8453 2856.184       380.7927 383.0909 23.41748 331.0337 24.22849 52.05725       33.69567 
1 1 1 -2  3   33 o 54.92976 24.43546 -22.58261      129.0480 514.5757       240.2103 -240.5126      153.0027 130.1724 36.90884 45.07641 21.96628 85.09595       42.95090 
1 1 1 -2  3   34 o 154.7991 31.88783 698.3452       228.1360 1500.946       427.5638 378.9003       269.7424 214.0143 43.27697 109.5824 39.82857 104.4320       58.81506 
1 1 1 -2  3   35 o 90.77505 28.51805 242.6334       137.8899 218.2156       255.5810 252.6592       163.7695 89.49662 36.91058 91.69030 31.21922 -2.193680      48.34284 
1 1 1 -2  3   36 o 38.84572 19.67559 -555.7284      183.2303 -668.9594      261.2154 -446.0480      257.0873 47.71822 24.09007 52.82632 26.25208 -5.108105      35.63009 
1 1 1 -2  3   37 o 66.81004 28.24335 93.37173       155.2313 -589.3202      460.5315 180.8787       164.8801 66.29762 33.27312 77.54242 30.44599 -11.24480      45.10054 
1 1 1 -2  4   1  o 270.7348 6.844607 1756.662       88.52227 0.000000       0.000000 1756.662       88.52227 ?        ?        270.7348 6.844607 0.000000       6.844607 
1 1 1 -2  4   2  o 405.5450 7.079315 3939.988       137.2583 3742.085       193.3090 4141.216       194.9262 394.6299 10.25468 415.3588 9.816086 -20.72897      14.19556 
1 1 1 -2  4   3  o 185.9794 9.687468 832.6052       85.83879 938.3752       121.1946 726.1349       121.5952 196.9566 12.94248 172.7942 14.86330 24.16240       19.70852 
1 1 1 -2  4   4  o 271.7221 8.534636 1773.061       110.7336 1746.627       129.5493 1844.756       213.3505 269.4437 10.07451 275.5280 16.26885 -6.084259      19.13560 
1 1 1 -2  4   5  o 247.2263 8.670485 1468.542       102.3231 1414.320       179.5024 1494.641       124.5384 241.2236 15.64921 249.1256 10.47967 -7.902054      18.83405 
1 1 1 -2  4   6  o 254.4592 8.606025 1555.756       104.5451 1588.689       125.1402 1479.664       190.2184 256.8754 10.21014 246.5341 16.22890 10.34131       19.17353 
1 1 1 -2  4   7  o 739.9141 25.90223 13559.36       914.8638 14082.95       1293.494 13035.25       1294.132 741.3755 36.60689 711.0919 38.20693 30.28363       52.91346 
1 1 1 -2  4   8  o 277.7905 11.92445 1860.463       157.9980 1896.075       222.9205 1824.515       223.9692 279.2912 16.77220 273.8355 17.19444 5.455658       24.01989 
1 1 1 -2  4   9  o 267.1476 9.348063 1714.170       119.2097 1757.221       145.4545 1626.093       208.0505 270.1936 11.28498 258.7756 16.90918 11.41803       20.32907 
1 1 1 -2  4   10 o 500.5540 9.954564 6009.305       238.2218 6094.006       260.6082 5578.861       587.4911 503.9181 10.81732 477.1146 25.85209 26.80350       28.02400 
1 1 1 -2  4   11 o 55.97859 14.56132 78.13987       39.33385 134.1467       54.53428 17.41028       56.78702 73.24727 16.01998 43.13630 17.54878 30.11097       23.76130 
1 1 1 -2  4   12 o 348.8959 13.79782 2927.842       229.6982 2913.340       324.3487 2942.432       325.3381 346.9403 19.63475 348.6822 19.59511 -1.741913      27.73971 
1 1 1 -2  4   13 o 468.0505 17.11085 5279.129       382.2444 5471.804       540.3968 5086.199       540.7537 474.7384 23.88623 457.3795 24.82248 17.35892       34.44862 
1 1 1 -2  4   14 o 808.0635 27.63819 15906.27       1066.163 16041.00       1507.543 15771.46       1508.023 803.8315 39.34756 796.7595 39.71398 7.072083       55.90555 
1 1 1 -2  4   15 o 330.9749 9.240705 2626.128       146.0775 2725.278       205.8944 2525.637       207.2821 336.7295 12.81292 324.0577 13.40819 12.67181       18.54590 
1 1 1 -2  4   16 o 878.3976 30.09405 18897.28       1261.939 18683.62       1784.828 19110.86       1784.473 862.3278 43.43264 872.6639 42.90303 -10.33612      61.04968 
1 1 1 -2  4   17 o 224.6309 20.39077 1229.839       216.6000 1229.839       216.6000 0.000000       0.000000 224.6309 20.39077 ?        ?        0.000000       20.39077 
1 1 1 -2  4   18 o 139.0160 18.24718 474.4010       118.3492 336.8639       168.5076 608.2891       166.2572 115.0282 30.24565 156.7064 22.86479 -41.67825      37.91567 
1 1 1 -2  4   19 o 480.9344 13.84902 5571.079       318.0978 5318.037       371.0088 6273.314       618.0573 469.1109 16.56849 505.8272 25.64112 -36.71634      30.52838 
1 1 1 -2  4   20 o 553.0264 20.20775 7445.298       533.3856 7359.102       754.4918 7531.417       754.1506 544.5875 29.08416 551.1938 28.71744 -6.606384      40.87273 
1 1 1 -2  4   21 o 279.0755 14.57269 1885.892       193.7592 2199.016       276.6566 1584.440       271.4514 299.9833 19.39408 253.3853 22.64644 46.59799       29.81596 
1 1 1 -2  4   22 o 68.19241 25.57426 89.03825       112.7346 -57.70379      164.0172 220.4421       155.2087 61.20805 27.36672 94.27817 30.33111 -33.07012      40.85234 
1 1 1 -2  4   23 o 304.2703 14.60916 2248.631       211.8959 2484.856       309.2040 2039.460       290.9595 317.5186 20.47810 287.1585 21.34616 30.36008       29.58059 
1 1 1 -2  4   24 o 219.2340 16.55192 1177.920       172.2047 1330.152       233.2805 995.6357       255.2709 231.2280 21.34301 197.0155 27.87946 34.21252       35.11108 
1 1 1 -2  4   25 o 143.2731 23.36337 522.6996       154.5228 583.1442       201.3614 436.1171       240.9975 149.1613 29.28235 126.6708 37.29275 22.49043       47.41524 
1 1 1 -2  4   26 o 56.76987 23.87744 18.37661       110.0460 25.61206       183.7700 14.33151       137.4063 71.68989 30.53481 62.07834 26.42094 9.611549       40.37872 
1 1 1 -2  4   27 o 119.4291 22.49749 366.8750       123.7443 387.7915       201.0034 354.1093       157.0293 119.3248 33.73867 115.3120 28.61895 4.012825       44.24186 
1 1 1 -2  4   28 f 190.6953 19.61841 911.5668       176.3108 951.2953       238.2587 863.4789       262.1293 191.1891 26.80126 179.1643 31.76535 12.02480       41.56134 
1 1 1 -2  4   29 o 263.0241 15.24560 1700.729       190.8900 2453.900       295.6245 1162.119       249.9947 313.2166 19.84384 212.1593 25.13446 101.0573       32.02373 
1 1 1 -2  4   30 o 224.1303 16.32414 1243.280       173.7207 1745.612       274.9757 909.6045       224.1101 262.2064 22.14201 186.7544 25.78803 75.45198       33.98957 
1 1 1 -2  4   31 o 116.7283 26.26602 367.3302       143.0277 254.9370       238.5312 430.4258       178.7207 99.50570 37.22451 124.5533 30.30566 -25.04765      48.00101 
1 1 1 -2  4   32 o 132.8039 30.41178 496.2528       188.9236 549.2368       251.0058 427.0113       286.9426 134.8893 37.54714 118.0574 41.27379 16.83195       55.79708 
1 1 1 -2  4   33 o 110.2901 30.50735 349.0603       166.2796 -111.9635      406.0339 441.9571       182.2640 85.47677 39.96906 124.0332 30.86154 -38.55646      50.49714 
1 1 1 -2  4   34 o 155.7334 27.26044 679.8174       195.5755 759.9009       268.3713 589.1195       285.6033 155.7754 36.65126 131.8166 40.98763 23.95882       54.98455 
1 1 1 -2  4   35 o 88.44041 28.83044 232.7133       139.9554 623.2353       259.0404 71.72297       166.3201 134.3451 38.40643 68.24960 29.05852 66.09546       48.16068 
1 1 1 -2  4   36 o 65.62302 27.40227 81.07503       143.3424 173.6767       260.9946 41.07823       171.5278 82.91920 35.86734 64.88595 28.54935 18.03325       45.84247 
1 1 1 -2  4   37 o 88.57092 36.62700 294.6533       252.5818 -564.2142      455.0948 676.9870       303.6408 65.55251 32.92353 122.3230 42.47709 -56.77052      53.74255 
1 1 1 -2  5   1  o 188.6801 6.947048 854.3378       62.55942 0.000000       0.000000 854.3378       62.55942 ?        ?        188.6801 6.947048 0.000000       6.947048 
1 1 1 -2  5   2  o 280.5148 7.523984 1888.001       100.8137 1877.801       131.7145 1902.430       156.6501 279.3815 9.876688 280.8526 11.69217 -1.471039      15.30541 
1 1 1 -2  5   3  o 504.6577 9.629959 6117.628       232.3431 5959.299       602.2256 6145.316       251.8408 490.1996 25.78744 505.5895 10.41885 -15.38989      27.81266 
1 1 1 -2  5   4  o 206.2250 8.183361 1021.731       80.52269 1050.044       98.76724 965.6091       139.0550 208.8247 9.921252 199.3526 14.69328 9.472092       17.72918 
1 1 1 -2  5   5  o 198.6973 8.410268 948.7448       79.71259 892.5645       98.18073 1057.401       136.5406 192.3931 10.71637 208.9054 13.74752 -16.51225      17.43086 
1 1 1 -2  5   6  o 415.0056 9.401031 4133.659       186.5253 3882.619       415.5416 4197.003       208.7357 398.1132 21.91686 417.9764 10.44568 -19.86316      24.27882 
1 1 1 -2  5   7  o 344.9713 9.284086 2856.747       152.9803 2790.950       309.5773 2878.005       175.9665 338.6503 19.19959 346.0247 10.64957 -7.374390      21.95536 
1 1 1 -2  5   8  f 666.7995 23.14310 10839.92       736.6585 10761.41       1041.244 10918.59       1042.342 657.6281 33.22563 662.5930 33.00840 -4.964844      46.83479 
1 1 1 -2  5   9  o 327.2951 13.20448 2578.122       206.1943 2669.898       290.5161 2484.960       292.7018 332.0416 18.37238 320.1044 19.21450 11.93723       26.58461 
1 1 1 -2  5   10 o 98.65238 13.53288 238.0546       62.14685 242.6589       80.50157 231.2628       97.77238 98.89618 17.67490 95.89964 21.81833 2.996544       28.07920 
1 1 1 -2  5   11 o 460.5858 10.07286 5083.285       221.8051 5167.955       246.6049 4724.696       507.4996 464.2850 11.10986 440.8964 24.16880 23.38861       26.60000 
1 1 1 -2  5   12 o 289.5225 12.41435 2014.549       171.4369 2275.317       242.5797 1754.344       242.3174 307.1038 16.58345 269.1391 18.95333 37.96475       25.18411 
1 1 1 -2  5   13 o 495.4510 10.57080 5883.414       250.3899 5901.590       276.2471 5799.728       592.7447 496.0754 11.64774 488.1866 25.48472 7.888794       28.02036 
1 1 1 -2  5   14 o 116.6380 13.75830 331.1959       75.24625 396.7935       92.43114 202.3006       129.5665 127.5432 15.47455 90.79457 27.49248 36.74865       31.54834 
1 1 1 -2  5   15 o 242.4773 11.95386 1414.072       138.1487 1532.177       193.6028 1291.549       197.1902 251.8099 16.16706 230.7875 18.01426 21.02242       24.20512 
1 1 1 -2  5   16 o 319.5681 13.73105 2458.482       209.2960 2322.424       302.6703 2583.156       289.7319 309.2147 20.59126 326.6365 18.63066 -17.42175      27.76871 
1 1 1 -2  5   17 o 654.9365 12.88672 10305.23       403.5058 10245.05       438.9771 10633.08       1024.644 652.7084 14.06741 655.6042 32.79473 -2.895813      35.68454 
1 1 1 -2  5   18 o 408.6597 16.25696 4034.537       316.9874 3761.820       447.5696 4309.012       449.0096 392.1504 23.98735 420.3878 22.42182 -28.23749      32.83491 
1 1 1 -2  5   19 o 142.8498 21.34149 507.0025       141.2892 141.9725       250.4534 677.4009       171.1179 94.74469 37.42455 165.3137 22.21261 -70.56902      43.52008 
1 1 1 -2  5   20 f 393.3566 16.02333 3749.058       300.7029 3922.219       424.8653 3575.254       425.6521 399.8624 22.31301 381.1937 23.46992 18.66873       32.38375 
1 1 1 -2  5   21 o 125.6067 30.50173 410.7998       181.3138 706.6559       249.5764 80.13143       263.8516 164.7094 32.84662 89.81757 37.31483 74.89182       49.71215 
1 1 1 -2  5   22 o 61.83506 25.99359 20.67640       130.3037 67.41630       148.3505 -137.1339      272.5918 70.96774 28.54583 74.94778 34.21604 -3.980042      44.56009 
1 1 1 -2  5   23 o 292.0956 14.75264 2075.725       205.3500 2232.864       289.4013 1916.380       291.4267 300.7028 20.24856 277.6080 22.14116 23.09479       30.00392 
1 1 1 -2  5   24 o 179.9116 16.65906 796.3083       141.6636 791.0481       199.2845 801.6818       201.4176 176.6008 24.24237 177.7627 24.33840 -1.161926      34.35185 
1 1 1 -2  5   25 f 236.6330 15.17872 1368.853       170.8137 1392.794       241.4556 1344.867       241.6785 236.0571 21.63535 231.7209 22.08214 4.336121       30.91455 
1 1 1 -2  5   26 o 149.6994 21.81513 568.2127       151.5416 1034.674       304.8902 415.1658       174.6416 196.4565 33.67261 124.7362 29.71147 71.72035       44.90675 
1 1 1 -2  5   27 o 149.1189 22.69145 568.7994       156.6772 -118.7892      311.7383 801.1833       181.2295 79.81060 36.49469 177.8716 21.76439 -98.06098      42.49178 
1 1 1 -2  5   28 o 191.1382 24.12519 939.1580       215.5568 250.9286       334.4365 1428.251       281.9310 107.0686 42.93161 235.3358 25.46310 -128.2672      49.91486 
1 1 1 -2  5   29 o 50.20631 23.40223 -109.4798      137.4148 61.94337       330.7503 -145.2421      151.0701 92.13004 40.11001 50.78127 23.94407 41.34877       46.71329 
1 1 1 -2  5   30 o 103.1777 29.27863 289.8136       151.0964 742.3506       344.8136 182.2683       168.0943 155.4108 44.27289 86.65686 31.44900 68.75398       54.30588 
1 1 1 -2  5   31 o 222.5137 19.21479 1255.088       202.4086 1586.172       390.9575 1133.847       236.5839 235.1513 35.91262 207.9941 24.24585 27.15721       43.33102 
1 1 1 -2  5   32 o 160.3289 26.80020 698.8600       198.1819 406.6315       257.5452 1123.115       310.3172 115.2538 39.15147 197.2750 34.13754 -82.02121      51.94429 
1 1 1 -2  5   33 o 138.0273 24.50610 515.5930       155.7907 558.0613       254.2230 490.0534       197.1461 133.2354 38.03419 129.3129 32.05127 3.922470       49.73815 
1 1 1 -2  5   34 o 63.52199 27.01757 47.87283       143.5178 233.3146       239.9858 -55.37156      179.0668 91.13908 36.42739 59.96819 27.51031 31.17089       45.64835 
1 1 1 -2  5   35 o 82.75395 32.91997 192.2617       195.0805 435.0321       251.4652 -174.6791      309.1562 109.8865 38.62149 68.39822 32.80782 41.48828       50.67516 
1 1 1 -2  5   36 o 59.98288 26.67388 19.37663       153.6351 412.0136       258.8849 -194.0783      190.8817 103.1109 38.73706 51.84016 25.09241 51.27074       46.15397 
1 1 1 -2  5   37 o 62.67072 27.98493 48.26293       170.9319 267.9279       452.0735 11.62004       184.6391 85.07595 40.49446 61.25661 28.03916 23.81934       49.25439 
1 1 1 -2  6   1  o 487.6860 9.597927 5707.041       223.7825 0.000000       0.000000 5707.041       223.7825 ?        ?        487.6860 9.597927 0.000000       9.597927 
1 1 1 -2  6   2  o 306.3962 8.494779 2252.404       124.3153 0.000000       0.000000 2252.404       124.3153 ?        ?        306.3962 8.494779 0.000000       8.494779 
1 1 1 -2  6   3  o 135.6787 5.966381 441.5086       38.60715 470.3040       67.52636 427.5250       47.05671 139.6165 10.18654 133.3870 7.408136 6.229492       12.59548 
1 1 1 -2  6   4  o 582.8715 7.657661 8138.775       213.3916 8050.311       299.8886 8229.509       303.7103 579.0721 10.83226 585.4775 10.85028 -6.405334      15.33187 
1 1 1 -2  6   5  o 80.54961 9.509511 157.7170       35.91581 189.1938       49.00639 121.1926       52.78961 87.95593 11.96397 69.52076 16.18631 18.43517       20.12793 
1 1 1 -2  6   6  o 286.5756 11.94932 1975.191       163.3567 1936.564       230.1348 2014.419       231.9179 282.8521 17.09808 288.5453 16.88551 -5.693115      24.03049 
1 1 1 -2  6   7  o 230.5097 10.73493 1276.976       117.9784 1245.053       164.6675 1310.646       169.1146 226.9809 15.26308 232.9075 15.27186 -5.926559      21.59146 
1 1 1 -2  6   8  o 291.4276 9.428045 2036.890       131.1864 2052.158       238.6095 2030.275       157.0531 291.4126 17.20313 290.7429 11.32035 0.6697083      20.59364 
1 1 1 -2  6   9  o 654.3969 11.18037 10267.19       349.7888 10940.25       1025.113 10178.50       372.1222 667.5928 32.21332 651.4269 11.94845 16.16583       34.35788 
1 1 1 -2  6   10 f 302.8304 12.68188 2204.185       183.2016 2317.478       257.6482 2088.328       260.5486 309.7868 17.46702 293.8093 18.64494 15.97748       25.54859 
1 1 1 -2  6   11 o 743.3606 25.53222 13426.26       906.0483 13491.01       1280.216 13361.28       1282.479 739.0718 36.34311 735.3383 36.59497 3.733582       51.57532 
1 1 1 -2  6   12 o 462.5270 16.89395 5155.982       372.9464 5060.842       525.5486 5252.494       529.3234 456.2874 24.17792 464.9593 23.89222 -8.671875      33.99133 
1 1 1 -2  6   13 o 195.7513 10.69482 921.3463       99.70882 926.9631       132.8722 914.1064       150.8520 195.9045 14.28487 194.2150 16.39963 1.689575       21.74868 
1 1 1 -2  6   14 o 222.8967 11.75080 1195.260       124.7793 1391.267       176.0095 997.2120       176.9233 240.0085 15.42074 202.5146 18.47673 37.49390       24.06634 
1 1 1 -2  6   15 o 253.3696 13.55291 1546.895       163.5733 1709.304       224.6056 1363.477       238.6916 265.6383 17.78819 236.3816 21.35097 29.25667       27.79000 
1 1 1 -2  6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  6   17 o 107.8553 21.91028 292.5262       109.1200 374.3039       143.7298 181.2552       167.6566 121.5982 25.53757 90.14468 31.54672 31.45350       40.58773 
1 1 1 -2  6   18 f 403.5715 16.17460 3940.443       311.4454 3870.358       435.0760 4014.102       446.0287 397.5476 22.98921 404.8212 23.14219 -7.273590      32.62000 
1 1 1 -2  6   19 o 116.9777 24.31842 347.7378       131.5607 279.2969       149.5235 582.3529       276.8405 104.4477 28.94403 148.3034 38.65730 -43.85571      48.29227 
1 1 1 -2  6   20 o 267.0665 15.58543 1732.521       198.1323 1926.184       268.2137 1499.900       293.9551 280.1883 20.15741 245.1447 25.45127 35.04364       32.46673 
1 1 1 -2  6   21 o 98.49902 23.67040 249.0029       110.0772 213.2773       152.3936 287.9777       159.1728 92.75763 30.07313 105.4151 30.09646 -12.65743      42.54633 
1 1 1 -2  6   22 f 88.62618 24.82822 201.5428       109.3774 47.47030       151.3252 370.0913       158.2746 68.88023 28.40409 118.9685 28.25052 -50.08829      40.06101 
1 1 1 -2  6   23 o 275.0685 14.54654 1842.363       190.6173 1853.223       268.5459 1831.335       270.6130 273.3503 20.70293 271.5795 21.00535 1.770844       29.49298 
1 1 1 -2  6   24 o 48.50361 22.14462 -66.83379      114.1996 -303.0617      156.0999 205.1844       167.5081 43.82715 21.53019 91.69498 31.56343 -47.86784      38.20732 
1 1 1 -2  6   25 o 127.6942 22.35165 417.0005       131.4864 485.3595       182.0824 342.5087       190.0747 135.3955 29.00252 112.8825 33.08849 22.51295       43.99994 
1 1 1 -2  6   26 o 167.5198 21.99390 711.7581       171.8969 1124.053       302.9322 515.9554       208.7616 205.4339 31.87601 137.8483 32.25276 67.58560       45.34667 
1 1 1 -2  6   27 o 273.0646 16.76288 1841.252       217.7831 1887.165       334.3686 1807.423       287.0109 270.4087 26.19161 267.0367 22.69600 3.372009       34.65702 
1 1 1 -2  6   28 o 157.0387 24.14062 639.3452       175.4504 734.1746       214.8472 449.5023       303.9872 166.3994 27.99976 124.7884 42.53285 41.61099       50.92180 
1 1 1 -2  6   29 o 206.4030 19.35148 1071.080       188.7314 1159.371       243.0620 937.0255       299.5029 211.8189 24.45002 182.8604 35.53950 28.95847       43.13768 
1 1 1 -2  6   30 o 158.6873 20.50502 644.4648       151.9315 466.9565       229.0845 783.8508       202.9998 126.7274 36.08136 172.4141 25.38626 -45.68661      44.11720 
1 1 1 -2  6   31 o 79.35178 28.41919 157.3218       136.7216 57.11332       219.1904 221.1402       174.9212 76.83886 33.05054 91.00733 32.19194 -14.16847      46.13739 
1 1 1 -2  6   32 o 83.52078 28.86139 185.8785       140.1050 78.31373       225.9660 253.0547       178.5731 78.61315 33.68111 94.80220 32.59090 -16.18905      46.86773 
1 1 1 -2  6   33 o 72.72660 30.69078 79.42646       182.7775 270.8015       227.9906 -264.8204      305.7802 96.45274 36.32725 67.32835 32.38105 29.12438       48.66417 
1 1 1 -2  6   34 o 193.7280 19.63115 992.5040       179.3148 1050.052       274.7768 949.8174       236.6514 185.6683 32.11716 180.7440 28.31564 4.924271       42.81691 
1 1 1 -2  6   35 o 176.1931 21.91175 854.6572       180.5989 942.7667       280.6516 792.3860       235.9391 167.7408 36.06881 158.1511 32.29786 9.589630       48.41601 
1 1 1 -2  6   36 f 126.8178 32.60995 548.9180       198.8123 823.8802       442.7055 479.4554       222.5123 117.1493 48.47213 112.3428 36.33217 4.806549       60.57701 
1 1 1 -2  6   37 o 71.09409 33.30650 69.92841       284.1815 -277.6041      452.1872 296.7935       365.3460 68.50782 34.16938 83.98787 38.80524 -15.48005      51.70487 
1 1 1 -2  7   1  o 137.4261 8.260471 453.8891       54.02231 0.000000       0.000000 453.8891       54.02231 ?        ?        137.4261 8.260471 0.000000       8.260471 
1 1 1 -2  7   2  f 272.8730 8.337849 1784.793       108.6459 0.000000       0.000000 1784.793       108.6459 ?        ?        272.8730 8.337849 0.000000       8.337849 
1 1 1 -2  7   3  o 259.5674 7.144665 1613.880       88.57826 0.000000       0.000000 1613.880       88.57826 ?        ?        259.5674 7.144665 0.000000       7.144665 
1 1 1 -2  7   4  o 418.7989 6.790763 4197.435       135.9667 4209.019       205.2530 4188.377       181.5019 419.0722 10.24454 418.1595 9.078851 0.9127502      13.68854 
1 1 1 -2  7   5  o 553.5231 9.835774 7341.090       260.2871 7432.647       280.1218 6762.396       704.2485 556.8708 10.52166 526.1918 28.09642 30.67902       30.00190 
1 1 1 -2  7   6  o 36.83848 13.57021 25.58574       31.47392 104.9823       48.17543 -33.53849      41.57263 64.80032 15.71426 28.42766 13.11871 36.37266       20.47043 
1 1 1 -2  7   7  f 623.8593 21.94531 9418.258       653.5214 9948.096       923.2437 8886.176       925.1971 637.6740 30.37102 601.7047 32.28012 35.96936       44.32160 
1 1 1 -2  7   8  o 502.4626 18.13039 6088.631       434.8173 6281.763       613.7126 5893.965       616.1435 508.2717 25.33565 491.9732 26.29130 16.29846       36.51202 
1 1 1 -2  7   9  o 131.0222 9.856514 413.6086       61.28874 405.3709       83.12031 423.4234       90.72942 129.2298 13.66002 131.9645 14.62607 -2.734680      20.01295 
1 1 1 -2  7   10 o 283.2898 9.321323 1924.510       126.0739 1986.225       150.4979 1779.293       230.8570 287.6281 10.96445 271.1975 17.90548 16.43063       20.99584 
1 1 1 -2  7   11 o 379.4442 10.59500 3454.076       192.0136 3558.791       377.1935 3417.448       223.0817 383.2570 20.66210 377.1775 12.38795 6.079559       24.09115 
1 1 1 -2  7   12 o 99.76389 12.62703 242.6692       58.87895 223.0982       76.14230 271.7767       92.85867 94.76693 17.44861 104.5064 19.29604 -9.739487      26.01521 
1 1 1 -2  7   13 o 166.1240 11.31186 665.0533       89.30506 646.8488       119.8258 687.8001       133.9429 163.2332 15.54176 168.1405 16.89103 -4.907318      22.95328 
1 1 1 -2  7   14 o 336.2604 12.79475 2719.792       205.3160 2664.896       257.5085 2815.590       340.1749 332.2088 16.26274 340.3726 21.00684 -8.163727      26.56622 
1 1 1 -2  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  7   16 o 406.4240 13.62843 3979.455       264.4348 3610.342       420.2530 4221.383       340.2312 384.3273 22.97674 417.6954 17.07349 -33.36810      28.62577 
1 1 1 -2  7   17 o 727.3358 25.61676 13006.99       889.3832 13437.38       1255.632 12573.65       1259.934 729.3976 36.11959 703.9769 37.57136 25.42065       52.11748 
1 1 1 -2  7   18 o 147.0440 19.57179 534.9178       134.1762 536.0900       152.8694 530.9849       280.0134 146.4234 22.56101 141.5811 39.74806 4.842316       45.70456 
1 1 1 -2  7   19 o 97.49094 23.44089 242.9103       107.9072 116.1614       138.6553 437.5806       171.8359 76.37546 28.41854 130.1847 28.40881 -53.80922      40.18300 
1 1 1 -2  7   20 o 107.1944 22.19478 292.6736       109.9969 251.7357       141.5244 355.1362       174.8152 98.89899 28.42459 116.4360 30.89663 -17.53704      41.98284 
1 1 1 -2  7   21 o 357.8372 11.51738 3092.069       196.7803 2796.574       241.4272 3676.914       339.6504 339.1224 14.92749 387.2849 18.39655 -48.16251      23.69099 
1 1 1 -2  7   22 o 41.03164 19.86756 -189.0523      119.9277 -215.3852      133.8208 -81.61978      270.2975 43.01718 20.86624 77.39104 34.82451 -34.37386      40.59737 
1 1 1 -2  7   23 o 232.4099 16.03329 1323.609       177.0582 1603.397       271.8600 1117.509       233.3293 252.9169 22.72529 210.4353 23.59828 42.48169       32.76153 
1 1 1 -2  7   24 o 280.8808 14.68543 1926.136       196.5196 2253.516       276.1758 1590.350       279.6991 301.6693 19.24943 251.0018 23.58438 50.66748       30.44279 
1 1 1 -2  7   25 o 196.0298 15.98797 946.2403       148.5385 915.9458       205.9270 979.0984       214.4633 189.8659 23.16505 196.3103 23.30501 -6.444427      32.85945 
1 1 1 -2  7   26 o 304.6079 15.46152 2278.276       224.4290 3088.596       322.8195 1520.263       312.2266 352.2968 19.23952 241.7087 27.50787 110.5882       33.56847 
1 1 1 -2  7   27 o 137.0553 22.21817 483.6958       140.6033 613.1677       191.1436 331.0369       207.5550 152.1694 27.27581 109.6986 35.05329 42.47077       44.41512 
1 1 1 -2  7   28 o 66.18358 26.94068 60.06791       133.9288 5.125966       182.6720 123.9275       196.9396 68.56721 29.83055 82.47581 32.98752 -13.90861      44.47514 
1 1 1 -2  7   29 o 175.4839 22.88247 795.6950       187.4085 918.1813       223.2011 502.9811       345.0439 186.9815 25.64310 128.4386 45.23237 58.54292       51.99553 
1 1 1 -2  7   30 o 128.9552 29.99983 466.1903       181.4592 455.0126       216.4627 492.6143       332.8185 124.4417 34.95170 124.5434 44.36966 -0.1016083     56.48263 
1 1 1 -2  7   31 o 77.00914 28.76488 141.9497       142.3238 8.805026       216.5091 243.2636       188.8638 71.97312 31.85338 93.84547 33.42487 -21.87235      46.17207 
1 1 1 -2  7   32 o 125.4710 30.04944 454.3005       177.8751 122.6423       371.1424 553.1959       202.6671 92.97144 41.39394 137.7331 31.46837 -44.76163      51.99728 
1 1 1 -2  7   33 o 95.08458 32.45401 275.1096       176.9984 560.3945       385.7415 199.0248       199.2076 118.7922 46.59065 85.53086 33.50039 33.26135       57.38436 
1 1 1 -2  7   34 o 85.79726 36.07634 205.7414       251.1039 686.6331       394.2625 -122.4524      325.7070 122.3144 47.34862 71.67835 34.18859 50.63603       58.40164 
1 1 1 -2  7   35 o 166.6596 35.92198 954.1685       277.7769 1023.419       426.8413 903.2956       365.8463 140.5152 50.22688 140.3789 46.65458 0.1362610      68.55209 
1 1 1 -2  7   36 o 101.5223 32.45268 374.5541       177.8877 461.3839       268.3646 306.5020       237.5811 101.2449 39.09861 88.04916 35.86681 13.19579       53.05779 
1 1 1 -2  8   1  o 394.9201 8.958824 3734.866       169.1487 0.000000       0.000000 3734.866       169.1487 ?        ?        394.9201 8.958824 0.000000       8.958824 
1 1 1 -2  8   2  o 402.2827 7.231525 3873.034       139.0816 0.000000       0.000000 3873.034       139.0816 ?        ?        402.2827 7.231525 0.000000       7.231525 
1 1 1 -2  8   3  o 198.7422 7.340744 946.6254       69.62924 0.000000       0.000000 946.6254       69.62924 ?        ?        198.7422 7.340744 0.000000       7.340744 
1 1 1 -2  8   4  o 279.8920 6.568107 1874.510       87.88991 1736.688       218.9403 1900.986       95.96139 268.0982 17.17168 281.7471 7.129807 -13.64890      18.59303 
1 1 1 -2  8   5  o 183.5922 8.113139 808.5203       71.03587 720.9297       122.8238 852.5449       87.07674 172.5686 15.03720 188.3981 9.700231 -15.82947      17.89446 
1 1 1 -2  8   6  o 454.5368 7.588537 4945.454       164.9056 4668.195       227.7751 5250.860       239.0573 441.3052 10.79590 468.0499 10.68320 -26.74472      15.18823 
1 1 1 -2  8   7  f 384.5018 9.410471 3541.619       172.9889 3556.968       194.5656 3483.701       377.9467 385.0820 10.57830 379.1956 20.92891 5.886475       23.45037 
1 1 1 -2  8   8  o 433.8443 9.762687 4509.931       202.4937 4497.373       224.3596 4565.104       470.2551 432.9858 10.84688 433.6580 22.76151 -0.6721802     25.21390 
1 1 1 -2  8   9  o 659.8008 10.92472 10438.15       344.6129 10360.40       365.7994 11051.65       1027.520 657.2036 11.64219 670.4592 32.14970 -13.25555      34.19274 
1 1 1 -2  8   10 o 484.2328 17.18586 5655.835       397.2325 5230.988       559.4857 6087.696       564.0856 463.2120 25.36068 500.4284 23.64420 -37.21637      34.67293 
1 1 1 -2  8   11 o 590.9383 8.272866 8363.463       233.7257 7909.047       319.6665 8885.418       342.6000 574.1265 11.64612 608.5078 11.77641 -34.38129      16.56248 
1 1 1 -2  8   12 o 682.0499 11.20536 11161.11       365.3846 11149.76       388.2204 11249.16       1081.305 681.5396 11.91458 674.1279 33.65682 7.411682       35.70348 
1 1 1 -2  8   13 o 614.4414 12.12110 9066.594       356.0662 9126.451       388.8830 8756.166       885.6014 616.2025 13.20040 595.4143 31.21984 20.78815       33.89585 
1 1 1 -2  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  8   15 o 481.5234 12.18664 5578.519       280.3242 5614.808       318.7412 5454.612       588.9794 482.6422 13.82778 470.6538 26.27957 11.98837       29.69551 
1 1 1 -2  8   16 o 299.6606 14.35910 2171.028       205.1160 2122.334       277.0209 2230.121       305.1742 294.7887 19.77023 301.7085 21.29368 -6.919800      29.05654 
1 1 1 -2  8   17 o 70.90837 26.19662 100.2423       117.4377 -10.99034      128.4838 664.9776       289.5040 58.06551 25.14112 158.0661 38.63964 -100.0006      46.09878 
1 1 1 -2  8   18 f 370.9592 15.82736 3341.568       280.0554 3677.771       389.5317 2981.850       402.9239 386.8816 21.14024 346.6295 24.47088 40.25208       32.33780 
1 1 1 -2  8   19 o 121.5212 24.42496 378.1535       136.9767 416.6718       155.9025 247.7717       286.8321 127.0816 26.51892 107.3202 40.67326 19.76147       48.55478 
1 1 1 -2  8   20 o 55.75024 23.42843 16.34143       105.8033 137.0857       136.3677 -166.2693      167.7033 78.77507 28.36153 53.73933 25.30463 25.03574       38.00922 
1 1 1 -2  8   21 o 372.4827 16.02757 3387.567       284.7506 3817.371       398.0607 2937.135       407.5015 392.3494 21.30099 341.5886 25.12857 50.76083       32.94203 
1 1 1 -2  8   22 o 174.3947 24.48931 774.6494       198.5642 460.1727       256.6624 1243.463       313.3777 129.3937 38.58544 218.1536 30.91142 -88.75998      49.44038 
1 1 1 -2  8   23 o 313.1694 15.94152 2402.259       237.8956 2861.128       325.2594 1874.420       348.8483 339.4668 20.13163 270.1993 27.38264 69.26752       33.98664 
1 1 1 -2  8   24 o 162.3853 17.45894 655.0488       133.4151 806.6079       181.1454 475.3711       197.2347 178.6921 21.64445 132.5973 31.56899 46.09483       38.27641 
1 1 1 -2  8   25 o 196.3411 16.29441 952.7391       151.5766 1148.119       207.8477 730.7914       221.5292 213.6537 20.60347 165.9610 28.97365 47.69276       35.55243 
1 1 1 -2  8   26 o 212.8287 18.20261 1130.148       183.4369 993.4437       291.8264 1219.444       235.8579 190.5843 33.23582 218.5403 22.91444 -27.95609      40.36943 
1 1 1 -2  8   27 o 224.9800 15.91410 1251.231       170.0681 1261.557       233.3007 1239.522       248.4374 222.5027 22.22893 219.3817 24.08235 3.121017       32.77324 
1 1 1 -2  8   28 o 55.56229 24.71701 -29.54856      132.0411 182.4099       170.8595 -343.8390      208.0555 86.71396 31.67101 51.78894 25.31921 34.92502       40.54769 
1 1 1 -2  8   29 o 155.6390 26.38089 651.2567       189.2946 425.9829       313.2353 780.8586       237.5861 118.2587 42.92865 167.5612 30.79217 -49.30257      52.83016 
1 1 1 -2  8   30 o 172.3324 25.64579 799.0870       204.8674 901.5388       340.5524 740.9835       256.4635 167.6733 42.44901 158.6956 34.76628 8.977737       54.86905 
1 1 1 -2  8   31 o 97.96943 32.93526 278.0183       182.2435 406.6702       207.8877 -149.0716      378.7742 115.8130 34.77097 80.60475 37.97790 35.20823       51.49118 
1 1 1 -2  8   32 o 80.30999 31.04351 163.5241       169.2960 203.0344       195.3465 44.31161       339.3212 86.57816 33.37839 84.14265 38.32175 2.435509       50.82001 
1 1 1 -2  8   33 o 80.96059 32.97675 171.9287       200.8178 157.7125       257.5494 193.9758       320.7329 82.79626 35.72128 88.34326 38.94824 -5.547005      52.84861 
1 1 1 -2  8   34 o 122.9856 35.11942 522.9229       216.7172 534.9700       281.2496 505.3158       340.0134 115.6780 40.82885 108.0310 43.29815 7.646965       59.51239 
1 1 1 -2  8   35 o 68.98403 31.09042 71.94854       216.4064 -24.24474      282.2175 209.2302       337.1458 68.39441 32.39175 82.51412 37.81413 -14.11971      49.79090 
1 1 1 -2  9   1  f 411.5477 9.605857 4057.766       189.0012 0.000000       0.000000 4057.766       189.0012 ?        ?        411.5477 9.605857 0.000000       9.605857 
1 1 1 -2  9   2  o 487.5244 9.128107 5693.138       212.7578 0.000000       0.000000 5693.138       212.7578 ?        ?        487.5244 9.128107 0.000000       9.128107 
1 1 1 -2  9   3  o 177.0401 8.690295 752.4308       73.33064 0.000000       0.000000 752.4308       73.33064 ?        ?        177.0401 8.690295 0.000000       8.690295 
1 1 1 -2  9   4  o 669.9933 10.34872 10759.15       331.4862 0.000000       0.000000 10759.15       331.4862 ?        ?        669.9933 10.34872 0.000000       10.34872 
1 1 1 -2  9   5  o 365.9023 6.938148 3204.339       121.3716 3186.574       179.3363 3219.353       164.8659 364.4746 10.30217 366.4501 9.418195 -1.975494      13.95840 
1 1 1 -2  9   6  o 705.5920 10.07486 11932.45       339.8606 11288.41       1129.556 11996.56       356.3743 675.6444 35.08908 707.3976 10.53742 -31.75317      36.63715 
1 1 1 -2  9   7  o 367.9682 14.08357 3258.531       247.3028 3136.929       347.4030 3383.459       352.1227 359.7271 20.28218 373.7625 19.77600 -14.03531      28.32767 
1 1 1 -2  9   8  o 373.8682 14.42578 3365.478       257.3656 3362.754       361.7245 3368.271       366.2577 372.3868 20.39560 372.6294 20.63959 -0.2425842     29.01678 
1 1 1 -2  9   9  o 216.1794 9.635893 1122.341       99.33948 1174.223       125.9453 1036.924       161.6030 220.8566 11.97265 206.8237 16.47952 14.03284       20.36956 
1 1 1 -2  9   10 o 452.7008 10.84923 4916.466       234.8110 4492.048       478.1437 5051.352       269.5539 429.3341 23.38283 458.4714 12.30887 -29.13736      26.42471 
1 1 1 -2  9   11 o 344.8326 9.940653 2853.944       163.7111 2867.449       189.7707 2814.649       323.6975 345.4124 11.50773 340.3755 19.97960 5.036896       23.05671 
1 1 1 -2  9   12 o 226.1658 15.30194 1238.419       164.4817 1270.754       212.1976 1189.748       260.3397 228.1922 19.64147 219.2579 25.29911 8.934265       32.02861 
1 1 1 -2  9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  9   14 o 186.4363 14.83905 844.0657       131.1744 765.0020       171.9729 954.0621       202.8430 176.0659 20.83355 196.5632 21.95962 -20.49728      30.26981 
1 1 1 -2  9   15 o 226.6183 16.07472 1249.080       173.0289 1250.564       207.8681 1245.733       312.2257 225.8657 19.43886 221.6326 30.25546 4.233124       35.96195 
1 1 1 -2  9   16 o 171.7736 19.18380 727.6654       154.8566 722.6719       177.6034 743.4999       316.2652 170.2580 22.35884 166.2153 40.23525 4.042709       46.03035 
1 1 1 -2  9   17 o 417.3930 12.59607 4208.204       251.0680 4649.193       302.1595 3224.740       451.2336 438.0265 14.44848 358.9073 26.48383 79.11923       30.16872 
1 1 1 -2  9   18 o 276.8917 14.04349 1861.542       185.2989 1940.421       243.5265 1753.076       285.5714 281.2495 18.20902 265.3789 22.72674 15.87064       29.12169 
1 1 1 -2  9   19 o 89.15811 24.46081 204.7946       107.3930 141.9669       133.1515 321.7413       181.6621 79.10731 28.07656 110.4376 32.34140 -31.33032      42.82826 
1 1 1 -2  9   20 o 269.7158 14.59550 1772.813       187.5050 2206.465       257.4286 1282.755       273.6591 299.5164 18.06137 224.5560 25.96840 74.96033       31.63179 
1 1 1 -2  9   21 o 489.7897 12.70066 5814.590       297.1514 6362.031       348.1912 4347.039       570.0930 511.4334 14.25424 411.4191 29.17286 100.0143       32.46904 
1 1 1 -2  9   22 o 355.2829 15.26415 3085.399       258.6669 3102.568       370.0781 3068.999       361.6868 352.0693 22.09799 350.4369 21.69448 1.632416       30.96727 
1 1 1 -2  9   23 o 160.9091 22.18377 658.2468       166.1209 585.6554       192.2120 872.5139       330.2292 149.0795 27.99614 175.2141 40.26742 -26.13466      49.04333 
1 1 1 -2  9   24 f 198.5948 19.73531 989.6593       184.9019 963.2892       287.3999 1008.283       241.5242 188.2848 33.13693 197.0000 26.30050 -8.715179      42.30570 
1 1 1 -2  9   25 o 75.45111 27.49527 129.3373       128.6692 62.54889       166.8622 227.3004       202.0872 71.82581 29.74247 95.39922 34.50204 -23.57341      45.55223 
1 1 1 -2  9   26 o 194.8124 20.22886 959.3632       185.6670 1233.918       310.8754 807.1302       231.4868 213.7179 31.35764 173.7790 28.87548 39.93895       42.62740 
1 1 1 -2  9   27 o 181.6005 19.76838 835.2319       168.8643 1019.696       222.7233 585.8290       258.9763 198.3687 23.97014 141.7766 37.59844 56.59213       44.58935 
1 1 1 -2  9   28 o 124.2280 33.53239 445.5162       203.7548 577.2110       356.8119 381.7921       248.2030 133.1139 46.05566 113.7273 38.43644 19.38658       59.98737 
1 1 1 -2  9   29 o 167.5125 23.37060 741.6830       182.0772 741.8855       245.3138 741.4347       271.6944 160.2568 33.11398 156.9247 36.84768 3.332092       49.54077 
1 1 1 -2  9   30 o 47.96806 23.42151 -273.4005      176.3996 -313.1605      227.8097 -213.8637      278.7676 55.20045 26.87832 66.81465 31.80144 -11.61420      41.63863 
1 1 1 -2  9   31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  9   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  9   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  9   34 o 73.35202 32.79280 104.8952       235.4367 196.3774       266.9626 -215.2659      499.4203 81.25772 35.68937 75.42949 37.32738 5.828232       51.64363 
1 1 1 -2  9   35 o 77.70132 34.31699 205.6654       250.0363 326.7923       282.4025 -233.7605      537.8872 86.30473 37.32055 72.16601 36.18176 14.13872       51.98022 
1 1 1 -2  10  1  o 252.5642 7.682505 1528.736       92.65691 0.000000       0.000000 1528.736       92.65691 ?        ?        252.5642 7.682505 0.000000       7.682505 
1 1 1 -2  10  2  o 289.7507 12.24164 2018.864       169.1971 0.000000       0.000000 2018.864       169.1971 ?        ?        289.7507 12.24164 0.000000       12.24164 
1 1 1 -2  10  3  o 336.0720 13.51058 2718.140       216.6350 0.000000       0.000000 2718.140       216.6350 ?        ?        336.0720 13.51058 0.000000       13.51058 
1 1 1 -2  10  4  o 389.4312 9.681104 3635.065       180.2453 0.000000       0.000000 3635.065       180.2453 ?        ?        389.4312 9.681104 0.000000       9.681104 
1 1 1 -2  10  5  o 520.9572 7.835910 6499.359       195.1641 0.000000       0.000000 6499.359       195.1641 ?        ?        520.9572 7.835910 0.000000       7.835910 
1 1 1 -2  10  6  o 595.1713 7.718427 8483.057       219.6237 8785.896       841.0858 8460.897       227.5170 597.6713 29.52678 594.3523 8.006847 3.319031       30.59314 
1 1 1 -2  10  7  o 424.6514 7.646492 4318.690       155.2398 4392.989       224.5760 4250.698       214.8325 427.7253 10.99133 420.7882 10.68759 6.937073       15.33081 
1 1 1 -2  10  8  o 501.6501 8.159512 6029.131       195.6922 6083.922       266.9651 5965.500       287.6974 503.4464 11.09157 498.3318 12.07561 5.114594       16.39644 
1 1 1 -2  10  9  o 133.7865 12.48302 433.9398       78.92203 557.8361       121.4949 343.4941       103.8060 151.0279 17.12856 117.6528 19.11005 33.37502       25.66285 
1 1 1 -2  10  10 o 297.9449 11.48285 2136.075       163.2602 2404.463       208.3009 1708.622       262.8779 315.6784 13.83547 264.3011 20.97592 51.37729       25.12786 
1 1 1 -2  10  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  10  12 o 207.3267 15.77742 1045.056       155.2122 1182.192       193.3248 796.3524       260.3481 219.9050 18.56157 176.0024 32.12382 43.90263       37.10083 
1 1 1 -2  10  13 o 45.92531 22.24436 -241.0784      150.6522 -413.6235      188.0202 68.36033       251.7911 46.46411 22.97708 87.39338 36.39172 -40.92927      43.03839 
1 1 1 -2  10  14 o 266.8990 14.79821 1728.307       188.0880 1843.210       237.0421 1532.990       309.0518 274.6510 18.15425 247.2626 26.55939 27.38846       32.17108 
1 1 1 -2  10  15 o 269.3484 14.89532 1762.580       191.0638 1558.278       236.5332 2146.176       324.1106 251.6297 19.82168 294.0531 23.24359 -42.42336      30.54773 
1 1 1 -2  10  16 o 180.2965 22.06333 812.6830       186.2225 867.5656       229.2459 706.2059       319.3097 184.5557 26.76139 160.0891 41.41041 24.46657       49.30511 
1 1 1 -2  10  17 o 229.3951 14.88356 1283.075       162.3485 1162.637       210.8696 1458.367       254.3991 216.3520 20.63630 241.8080 22.25524 -25.45604      30.35050 
1 1 1 -2  10  18 o 183.3549 16.56535 826.7693       143.6470 722.0792       186.7593 978.4215       224.7780 168.7353 23.81209 196.5621 24.44587 -27.82683      34.12647 
1 1 1 -2  10  19 o 244.3292 15.47040 1460.027       179.7833 1723.431       239.1867 1117.949       272.5771 264.0305 19.07713 208.2217 28.09778 55.80879       33.96207 
1 1 1 -2  10  20 o 84.01399 27.30648 176.6607       125.5995 221.1837       157.7718 99.61949       207.5385 93.31720 30.62222 82.54252 33.56017 10.77468       45.43132 
1 1 1 -2  10  21 o 155.1661 21.12095 608.5266       152.6183 729.7715       206.8071 463.5298       226.1584 167.6653 26.69377 129.6419 35.46832 38.02345       44.39098 
1 1 1 -2  10  22 o 384.8999 16.73923 3646.401       307.2924 4339.653       460.2395 3088.758       412.7783 414.4543 23.32139 348.0925 24.96942 66.36179       34.16664 
1 1 1 -2  10  23 o 230.5454 17.39383 1318.789       190.3027 1779.681       270.1646 864.8986       268.1045 265.5783 21.46047 178.2479 32.66428 87.33044       39.08334 
1 1 1 -2  10  24 o 181.8181 27.34136 871.8346       230.3142 869.2127       374.7741 873.4257       291.9491 168.3419 45.49348 176.3684 35.84740 -8.026520      57.91971 
1 1 1 -2  10  25 o 154.9182 39.62835 703.4872       294.6545 0.000000       0.000000 703.4872       294.6545 ?        ?        154.9182 39.62835 0.000000       39.62835 
1 1 1 -2  10  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  10  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  10  28 o 94.95773 42.31174 105.9766       388.5730 0.000000       0.000000 105.9766       388.5730 ?        ?        94.95773 42.31174 0.000000       42.31174 
1 1 1 -2  10  29 o 181.0825 26.13968 893.9642       219.7574 953.9379       260.1462 744.5358       410.6329 182.9763 30.83313 140.8596 49.36530 42.11673       58.20322 
1 1 1 -2  10  30 o 98.76646 39.53323 287.1028       283.0712 216.5817       396.4271 360.4659       404.3362 97.72823 43.18403 106.7962 45.38316 -9.067917      62.64577 
1 1 1 -2  10  31 o 119.2602 37.54257 491.5326       238.8520 568.8135       287.1435 317.9616       430.3298 123.6156 41.33868 99.27513 44.36161 24.34049       60.63694 
1 1 1 -2  10  32 o 53.68533 25.59371 -137.4612      182.0591 -184.7282      198.7238 109.4319       454.1773 53.82046 25.94014 86.87370 41.12827 -33.05324      48.62535 
1 1 1 -2  10  33 o 64.03869 28.91464 27.09257       188.1731 -18.35208      205.3290 265.4555       470.2495 62.74781 29.02676 88.92715 42.02547 -26.17933      51.07536 
1 1 1 -2  10  34 o 139.4327 29.26181 643.1187       188.8337 649.2277       241.0108 633.4061       303.8926 126.4019 37.31490 111.6684 41.96575 14.73346       56.15626 
1 1 1 -2  11  1  o 349.8163 9.050913 2935.841       151.2432 0.000000       0.000000 2935.841       151.2432 ?        ?        349.8163 9.050913 0.000000       9.050913 
1 1 1 -2  11  2  o 383.9688 9.214869 3535.195       169.1584 0.000000       0.000000 3535.195       169.1584 ?        ?        383.9688 9.214869 0.000000       9.214869 
1 1 1 -2  11  3  o 158.2395 9.955117 603.1059       74.93129 0.000000       0.000000 603.1059       74.93129 ?        ?        158.2395 9.955117 0.000000       9.955117 
1 1 1 -2  11  4  o 203.8394 10.46885 999.9666       101.6807 0.000000       0.000000 999.9666       101.6807 ?        ?        203.8394 10.46885 0.000000       10.46885 
1 1 1 -2  11  5  f 163.4142 10.49873 643.7173       81.58891 0.000000       0.000000 643.7173       81.58891 ?        ?        163.4142 10.49873 0.000000       10.49873 
1 1 1 -2  11  6  o 312.9802 9.249626 2351.807       138.2524 0.000000       0.000000 2351.807       138.2524 ?        ?        312.9802 9.249626 0.000000       9.249626 
1 1 1 -2  11  7  o 184.8929 8.727246 821.6423       76.92693 832.6141       134.8184 816.3455       93.67275 185.0822 15.37488 184.0444 10.69193 1.037796       18.72710 
1 1 1 -2  11  8  o 160.7440 13.00703 626.3111       99.10571 725.5542       132.8819 501.9106       148.7739 172.4518 16.31104 141.6171 22.74345 30.83472       27.98776 
1 1 1 -2  11  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  11  10 o 548.8676 20.13618 7357.878       527.4923 7570.503       739.6055 7137.753       752.5363 551.2072 28.15908 534.0575 29.58911 17.14966       40.84666 
1 1 1 -2  11  11 o 282.2530 13.92822 1928.873       187.3696 1924.252       248.9529 1934.910       284.5648 280.5056 18.67008 280.3047 21.39621 0.2009277      28.39665 
1 1 1 -2  11  12 o 235.4077 13.69347 1343.559       153.4489 1406.357       205.1392 1263.783       231.2117 239.6514 18.03679 225.9062 21.67341 13.74518       28.19685 
1 1 1 -2  11  13 o 76.84171 23.79362 146.4437       96.35874 143.2985       116.8191 153.1393       170.4422 77.93462 26.36906 85.28336 31.55009 -7.348747      41.11855 
1 1 1 -2  11  14 o 338.4067 15.59429 2788.390       251.6192 2776.984       353.6834 2800.079       358.0432 334.5910 22.23634 335.8816 22.42517 -1.290588      31.58074 
1 1 1 -2  11  15 o 328.5546 15.62940 2631.917       244.7999 3215.548       337.3845 1983.042       355.7433 361.2559 19.60798 279.6414 26.94201 81.61447       33.32183 
1 1 1 -2  11  16 o 428.6194 16.30096 4487.095       333.4273 4724.253       510.0970 4310.173       440.5793 433.9267 24.69016 416.2970 22.21714 17.62973       33.21454 
1 1 1 -2  11  17 o 306.8247 13.40257 2286.965       196.1272 2261.333       230.2102 2354.819       374.5560 304.1155 15.88863 304.8148 25.94878 -0.6992798     30.42676 
1 1 1 -2  11  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  11  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  11  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  11  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  11  22 o 81.37360 27.79333 164.3923       129.8160 182.7754       165.9968 135.4470       208.2956 86.96705 31.29380 85.16629 33.97151 1.800758       46.18837 
1 1 1 -2  11  23 o 80.63610 28.16232 159.2751       133.5727 34.76907       172.9107 343.5250       210.3441 69.73042 29.65670 111.1053 35.26378 -41.37483      46.07661 
1 1 1 -2  11  24 o 191.8304 28.46007 980.5319       253.1107 1085.935       346.7730 860.3485       370.2880 194.0858 38.72969 166.6594 45.29735 27.42641       59.59731 
1 1 1 -2  11  25 o 151.6319 26.12526 612.1619       182.5560 752.1069       243.9570 434.0707       275.2046 164.3886 32.19324 120.9494 40.47055 43.43919       51.71335 
1 1 1 -2  11  26 f 113.7635 31.90145 371.3600       180.4816 141.0840       238.8524 677.8098       275.5402 86.39220 35.66135 149.2878 38.39148 -62.89555      52.39883 
1 1 1 -2  11  27 o 94.86478 36.32639 239.5665       230.2964 309.1138       405.1928 206.3797       279.9010 107.8161 45.60704 94.30206 38.73172 13.51408       59.83435 
1 1 1 -2  11  28 o 178.7918 24.85638 863.4180       206.7303 1044.075       281.8117 652.9299       304.1906 190.0016 32.17052 139.7259 42.08537 50.27565       52.97283 
1 1 1 -2  11  29 o 125.8302 32.45062 480.7455       196.4830 491.8842       317.6650 473.8438       250.0526 117.6507 43.15002 119.5455 38.50226 -1.894852      57.83034 
1 1 1 -2  11  30 o 93.81033 29.95988 269.5929       151.6359 398.3788       193.7395 65.95350       243.6211 110.6415 33.64253 75.24564 33.51721 35.39583       47.48919 
1 1 1 -2  11  31 f 209.9701 19.12351 1178.842       189.8656 1348.645       250.7291 950.5749       290.7055 217.5739 24.53116 165.1450 37.65769 52.42896       44.94307 
1 1 1 -2  11  32 o 55.56471 26.50491 -121.1364      195.8367 -152.9917      329.4613 -103.7313      243.5299 67.79555 32.85117 62.13877 29.61734 5.656780       44.23106 
1 1 1 -2  11  33 o 115.0383 31.51254 469.7220       178.3957 699.4055       225.2316 83.05264       292.2363 137.6344 34.34217 72.10287 33.77785 65.53152       48.16979 
1 1 1 -2  12  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12  4  o 228.9187 15.28321 1272.759       166.3066 0.000000       0.000000 1272.759       166.3066 ?        ?        228.9187 15.28321 0.000000       15.28321 
1 1 1 -2  12  5  o 283.3172 9.182796 1929.103       124.2173 0.000000       0.000000 1929.103       124.2173 ?        ?        283.3172 9.182796 0.000000       9.182796 
1 1 1 -2  12  6  o 499.8536 26.01332 6202.902       619.5123 0.000000       0.000000 6202.902       619.5123 ?        ?        499.8536 26.01332 0.000000       26.01332 
1 1 1 -2  12  7  o 69.10834 20.70536 118.3261       73.77347 0.000000       0.000000 118.3261       73.77347 ?        ?        69.10834 20.70536 0.000000       20.70536 
1 1 1 -2  12  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12  13 o 213.4204 15.70506 1114.555       159.1224 1242.447       189.6348 810.2524       292.5163 224.6756 17.79978 173.0632 36.50430 51.61243       40.61276 
1 1 1 -2  12  14 o 210.3000 15.21001 1081.538       151.8913 1008.127       173.9978 1316.630       311.3735 202.0126 18.21126 225.6091 29.57981 -23.59648      34.73637 
1 1 1 -2  12  15 o 49.35892 23.06823 -119.1148      134.9606 -75.46990      199.1027 -156.2150      183.5684 65.94730 29.76260 57.45503 26.86884 8.492275       40.09671 
1 1 1 -2  12  16 o 382.9108 16.79274 3595.872       306.6691 3681.306       425.2466 3503.294       442.6691 382.9879 23.33531 372.2699 25.01738 10.71799       34.21119 
1 1 1 -2  12  17 o 174.5113 20.20082 763.6224       165.4304 935.2028       220.3323 541.9095       250.4608 191.2976 24.66470 139.6211 36.95113 51.67650       44.42672 
1 1 1 -2  12  18 o 81.47905 35.63518 6.848861       263.6426 -75.20821      322.3841 172.5346       458.0977 83.73911 37.82468 111.5032 47.86766 -27.76411      61.00836 
1 1 1 -2  12  19 o 135.3398 19.23584 462.4476       120.9634 406.7270       133.7256 713.2818       283.7266 125.3134 23.17412 158.6958 37.91600 -33.38242      44.43718 
1 1 1 -2  12  20 o 50.95656 22.50344 -21.84254      107.4995 -20.13060      111.2940 -45.67197      415.2256 52.06598 22.94927 94.36672 42.74648 -42.30074      48.51733 
1 1 1 -2  12  21 o 208.9017 15.50269 1077.630       153.7273 1216.347       190.3444 817.4351       260.6902 220.7078 18.20069 172.4788 32.81270 48.22902       37.52250 
1 1 1 -2  12  22 o 159.9904 19.42439 647.2656       145.5362 629.2028       158.8428 741.7252       363.2431 156.6342 21.80163 154.4919 45.86216 2.142319       50.78040 
1 1 1 -2  12  23 o 262.1482 15.52276 1698.518       193.6759 1563.915       255.6889 1879.703       296.6516 247.5912 21.82388 270.5366 23.15825 -22.94539      31.82116 
1 1 1 -2  12  24 o 68.17378 29.12315 35.36545       168.0497 163.7556       275.8789 -40.38019      211.9003 92.28661 38.23187 68.56686 30.84558 23.71975       49.12357 
1 1 1 -2  12  25 o 269.9448 17.49810 1835.839       224.6094 1910.696       324.3442 1766.862       311.3457 267.8032 25.64571 257.4793 25.63265 10.32391       36.25927 
1 1 1 -2  12  26 o 120.5503 30.21438 418.2483       173.7764 522.7150       191.1340 -79.81369      417.3408 135.0715 30.34124 87.06140 40.64821 48.01006       50.72344 
1 1 1 -2  12  27 o 157.4272 36.61709 766.2495       270.3779 662.2928       330.2903 977.4249       470.7510 137.4957 44.24749 154.8220 52.92522 -17.32632      68.98492 
1 1 1 -2  12  28 o 51.07869 24.22033 -135.1105      158.7110 -251.9577      193.2340 107.1318       278.2270 51.19993 24.89047 82.72302 36.38029 -31.52309      44.08017 
1 1 1 -2  12  29 o 92.34583 33.53995 272.6144       191.2402 375.9109       255.7470 141.5926       288.0310 102.7016 38.51877 82.97946 36.73141 19.72216       53.22492 
1 1 1 -2  12  30 o 83.41982 29.55133 215.0738       147.4467 341.3235       185.7481 0.4208204E-08  242.4392 100.2643 33.24099 68.87917 31.74814 31.38510       45.96638 
1 1 1 -2  12  31 o 67.08112 29.80875 66.84563       191.5172 83.46107       307.4425 56.30945       244.8217 75.83170 35.23085 70.56363 32.29467 5.268074       47.79287 
1 1 1 -2  12  32 o 162.8300 23.14370 787.9298       175.0990 673.6522       224.2134 966.5817       280.3398 133.4987 34.78507 155.8710 37.97440 -22.37236      51.49812 
1 1 1 -2  13  1  o 337.9957 12.14892 2759.545       195.9973 0.000000       0.000000 2759.545       195.9973 ?        ?        337.9957 12.14892 0.000000       12.14892 
1 1 1 -2  13  2  o 275.1791 9.456535 1822.436       124.2253 0.000000       0.000000 1822.436       124.2253 ?        ?        275.1791 9.456535 0.000000       9.456535 
1 1 1 -2  13  3  o 270.0422 12.19055 1763.161       156.9792 0.000000       0.000000 1763.161       156.9792 ?        ?        270.0422 12.19055 0.000000       12.19055 
1 1 1 -2  13  4  o 45.74632 15.16256 48.34755       38.64816 0.000000       0.000000 48.34755       38.64816 ?        ?        45.74632 15.16256 0.000000       15.16256 
1 1 1 -2  13  5  o 485.4017 9.818338 5668.189       227.8493 0.000000       0.000000 5668.189       227.8493 ?        ?        485.4017 9.818338 0.000000       9.818338 
1 1 1 -2  13  6  o 217.1740 12.57644 1143.223       130.0206 0.000000       0.000000 1143.223       130.0206 ?        ?        217.1740 12.57644 0.000000       12.57644 
1 1 1 -2  13  7  o 501.7787 9.952727 6060.239       238.7607 0.000000       0.000000 6060.239       238.7607 ?        ?        501.7787 9.952727 0.000000       9.952727 
1 1 1 -2  13  8  o 371.3230 9.155680 3315.745       162.5365 0.000000       0.000000 3315.745       162.5365 ?        ?        371.3230 9.155680 0.000000       9.155680 
1 1 1 -2  13  9  o 455.2643 9.108706 4984.760       198.2571 4778.086       513.2073 5021.013       214.9433 436.8184 24.67477 456.6844 9.844629 -19.86606      26.56616 
1 1 1 -2  13  10 f 162.1097 10.33729 635.7747       79.69946 720.2687       172.7513 612.9273       89.83093 169.3148 21.85007 158.8454 11.91571 10.46947       24.88795 
1 1 1 -2  13  11 o 90.87320 26.23030 213.2415       120.2740 82.13700       167.8204 351.6970       172.4610 75.37843 30.34683 115.0760 30.75738 -39.69759      43.20818 
1 1 1 -2  13  12 o 45.71686 19.97734 -13.35360      82.70287 65.16141       97.91745 -208.7727      154.4782 61.19388 23.62109 48.14655 23.11936 13.04733       33.05239 
1 1 1 -2  13  13 o 332.0710 14.72166 2689.216       233.1391 2771.909       318.8797 2594.252       341.7212 334.3571 20.04037 322.0362 22.33355 12.32089       30.00673 
1 1 1 -2  13  14 o 215.9505 15.04651 1142.209       154.3737 1205.059       209.0927 1066.899       228.8816 219.8103 20.11966 205.0387 23.78999 14.77165       31.15709 
1 1 1 -2  13  15 o 176.3168 17.94312 772.2740       149.1466 838.6470       208.5098 702.7341       213.4264 180.8843 24.76030 163.6770 28.29763 17.20732       37.60091 
1 1 1 -2  13  16 o 181.3614 15.85501 811.3666       136.0928 656.5663       165.8501 1130.464       238.1177 160.5914 22.19426 210.3918 24.10798 -49.80037      32.76858 
1 1 1 -2  13  17 o 66.77283 25.98552 80.10068       119.2335 49.71501       126.3671 326.6623       359.9666 63.76154 26.08777 115.1372 45.05146 -51.37566      52.05964 
1 1 1 -2  13  18 o 96.26709 32.33405 242.4250       175.6532 123.3181       267.1755 333.0999       233.1157 90.30800 37.53643 110.3684 37.25003 -20.06040      52.88240 
1 1 1 -2  13  19 o 140.9815 27.61560 530.6218       179.4721 508.8150       211.7535 586.2385       338.1719 135.2162 33.04145 138.9977 44.77612 -3.781509      55.64745 
1 1 1 -2  13  20 o 136.0729 27.58950 495.8704       173.3333 595.4660       214.6193 309.0502       293.9413 147.2880 31.43607 109.0595 41.21001 38.22847       51.83138 
1 1 1 -2  13  21 o 137.2751 30.93373 520.0552       198.1370 570.1414       222.0379 324.2589       439.0062 142.5465 33.20124 116.0449 48.16490 26.50163       58.49940 
1 1 1 -2  13  22 o 168.1901 16.98396 709.7396       134.6987 719.7506       159.9668 685.3447       249.7134 167.6999 20.36930 154.5587 34.65194 13.14122       40.19533 
1 1 1 -2  13  23 o 64.88548 25.80252 74.76543       119.8032 90.22338       126.3740 -62.39400      376.4389 68.04760 26.67361 85.93729 39.59264 -17.88969      47.73949 
1 1 1 -2  13  24 o 204.5450 15.98913 1050.066       155.1171 917.7941       190.3327 1311.685       267.6786 187.5273 21.62512 220.7818 25.84832 -33.25447      33.70136 
1 1 1 -2  13  25 o 87.83246 30.80085 212.2466       159.8748 -29.98396      223.9690 463.9072       228.2870 69.50842 31.44931 122.2266 36.37596 -52.71818      48.08606 
1 1 1 -2  13  26 o 118.7161 24.15100 387.7623       132.4025 433.0104       158.6960 284.1276       240.1696 123.2545 27.61715 97.70492 37.17392 25.54955       46.30991 
1 1 1 -2  13  27 o 80.88049 29.21774 184.6859       144.8727 232.2308       183.5423 106.1110       235.9534 88.30553 32.72691 78.23356 33.97071 10.07197       47.17054 
1 1 1 -2  13  28 o 85.98274 36.71201 210.0454       266.7938 202.8069       319.5216 226.7112       484.8312 87.23737 38.64815 92.78988 43.48128 -5.552505      58.17475 
1 1 1 -2  13  29 o 79.53705 31.35629 188.7743       175.5097 324.1866       194.3479 -409.8955      408.6432 96.50365 33.95027 67.39242 33.42316 29.11123       47.64167 
1 1 1 -2  13  30 o 52.70345 25.52320 -171.4572      198.1293 -179.5537      334.9679 -167.1003      245.7221 65.94044 32.21384 58.60088 28.38984 7.339565       42.93849 
1 1 1 -2  13  31 o 81.47351 30.86422 242.6864       165.1233 259.1643       215.3253 219.1628       257.2735 81.40601 33.75505 77.77543 34.55574 3.630585       48.30634 
1 1 1 -2  14  1  o 137.4301 12.14370 459.6934       78.96850 0.000000       0.000000 459.6934       78.96850 ?        ?        137.4301 12.14370 0.000000       12.14370 
1 1 1 -2  14  2  o 99.80318 13.81716 245.7651       64.16179 0.000000       0.000000 245.7651       64.16179 ?        ?        99.80318 13.81716 0.000000       13.81716 
1 1 1 -2  14  3  o 207.6044 10.08932 1040.329       99.84001 0.000000       0.000000 1040.329       99.84001 ?        ?        207.6044 10.08932 0.000000       10.08932 
1 1 1 -2  14  4  o 258.9781 9.343409 1615.691       115.4953 0.000000       0.000000 1615.691       115.4953 ?        ?        258.9781 9.343409 0.000000       9.343409 
1 1 1 -2  14  5  o 76.85896 16.97921 149.6969       60.72467 0.000000       0.000000 149.6969       60.72467 ?        ?        76.85896 16.97921 0.000000       16.97921 
1 1 1 -2  14  6  o 225.3205 12.23005 1231.075       131.2521 0.000000       0.000000 1231.075       131.2521 ?        ?        225.3205 12.23005 0.000000       12.23005 
1 1 1 -2  14  7  o 113.5866 12.18239 315.4659       65.12339 0.000000       0.000000 315.4659       65.12339 ?        ?        113.5866 12.18239 0.000000       12.18239 
1 1 1 -2  14  8  o 99.41479 13.24195 243.6412       61.37397 0.000000       0.000000 243.6412       61.37397 ?        ?        99.41479 13.24195 0.000000       13.24195 
1 1 1 -2  14  9  o 321.8364 9.705233 2497.757       149.1602 0.000000       0.000000 2497.757       149.1602 ?        ?        321.8364 9.705233 0.000000       9.705233 
1 1 1 -2  14  10 o 145.0680 10.15502 509.9506       69.98569 516.8960       121.0881 506.4666       85.76095 144.0375 17.97407 144.0523 12.57868 -0.1478577E-01 21.93832 
1 1 1 -2  14  11 o 145.0428 10.62504 510.5701       73.16630 649.0470       168.9665 478.6121       81.17115 159.7645 22.76460 140.0547 12.24565 19.70979       25.84924 
1 1 1 -2  14  12 o 172.4126 10.97121 721.4136       89.96487 761.3049       181.9847 708.5118       103.4958 173.1498 22.51670 170.3977 12.79781 2.752106       25.89953 
1 1 1 -2  14  13 o 42.18139 19.07974 -40.17105      82.36614 -79.90136      96.83450 63.78758       156.6388 42.42567 19.73158 70.83043 29.01987 -28.40475      35.09257 
1 1 1 -2  14  14 o 77.73717 23.30078 155.1573       93.41231 11.70347       111.4571 493.7599       171.2368 55.92074 23.79782 136.6096 27.17505 -80.68883      36.12229 
1 1 1 -2  14  15 o 281.7921 13.36494 1938.936       179.5414 1949.155       227.5602 1922.086       292.2161 280.7078 17.03660 275.4309 22.38410 5.276917       28.12995 
1 1 1 -2  14  16 o 57.35018 23.75670 31.98445       106.5100 55.44324       113.0183 -154.2797      318.4643 61.93203 24.91415 77.98026 36.09998 -16.04822      43.86255 
1 1 1 -2  14  17 o 328.7260 13.59804 2642.444       213.2456 2611.667       261.1236 2704.066       369.4876 324.8486 16.87126 325.0423 23.94479 -0.1936340     29.29150 
1 1 1 -2  14  18 o 134.8094 21.94729 469.0136       136.5906 493.4639       164.4650 414.6542       245.2273 136.3748 26.17656 120.2642 38.06409 16.11058       46.19618 
1 1 1 -2  14  19 o 55.56128 24.36397 -11.97432      123.9624 -22.09826      129.0020 110.0579       447.8771 55.60703 24.59997 103.3983 45.78498 -47.79124      51.97522 
1 1 1 -2  14  20 o 94.99805 27.05300 245.6341       128.7706 243.7842       142.9651 253.5866       296.4245 94.48088 28.93352 101.7803 40.54988 -7.299423      49.81407 
1 1 1 -2  14  21 o 85.26369 33.27204 167.1143       195.9018 173.4783       212.0372 130.0098       511.9925 87.26144 34.44543 104.5446 47.40067 -17.28313      58.59446 
1 1 1 -2  14  22 o 168.6702 22.68662 749.6331       178.3087 755.0147       241.6724 743.2034       264.1582 162.0033 32.33631 157.5856 35.87037 4.417633       48.29410 
1 1 1 -2  14  23 o 144.9905 26.23805 577.8109       175.1839 728.5334       241.8636 411.4745       254.0827 157.3996 33.18790 114.1739 38.88578 43.22572       51.12280 
1 1 1 -2  14  24 o 287.5052 19.50698 2135.927       266.5414 2115.304       339.7980 2168.911       429.7386 278.5025 25.81391 270.4981 33.97790 8.004364       42.67148 
1 1 1 -2  14  25 o 118.1478 23.11892 385.0210       125.9093 312.7292       146.7034 587.1921       245.3326 102.6473 28.75356 133.2250 37.13397 -30.57776      46.96487 
1 1 1 -2  14  26 o 80.27566 30.75351 182.6860       165.1054 282.2081       228.3266 73.61491       239.0294 92.98529 36.02222 74.79778 33.26595 18.18751       49.03289 
1 1 1 -2  14  27 o 40.31458 19.52597 -150.5017      116.0513 -90.81734      133.7586 -332.2195      233.3944 47.96544 22.58992 52.61942 25.94198 -4.653976      34.39899 
1 1 1 -2  14  28 o 57.21158 26.12283 -14.51308      158.9663 -59.03705      173.0172 226.6906       402.7024 56.02982 26.16391 86.36627 40.19157 -30.33646      47.95740 
1 1 1 -2  14  29 o 55.08963 27.04521 -237.0913      245.0383 -284.8455      303.5222 -147.7156      415.2352 59.18805 29.25539 70.16204 34.59290 -10.97400      45.30504 
1 1 1 -2  15  1  o 202.2753 10.66706 990.1052       102.7917 0.000000       0.000000 990.1052       102.7917 ?        ?        202.2753 10.66706 0.000000       10.66706 
1 1 1 -2  15  2  o 342.5361 9.623053 2828.953       157.4334 0.000000       0.000000 2828.953       157.4334 ?        ?        342.5361 9.623053 0.000000       9.623053 
1 1 1 -2  15  3  o 53.16393 15.94149 69.84861       43.71772 0.000000       0.000000 69.84861       43.71772 ?        ?        53.16393 15.94149 0.000000       15.94149 
1 1 1 -2  15  4  o 132.6765 11.12569 428.2125       69.92216 0.000000       0.000000 428.2125       69.92216 ?        ?        132.6765 11.12569 0.000000       11.12569 
1 1 1 -2  15  5  o 171.1503 12.73439 714.0422       103.4525 0.000000       0.000000 714.0422       103.4525 ?        ?        171.1503 12.73439 0.000000       12.73439 
1 1 1 -2  15  6  o 348.2502 12.50406 2943.793       207.8478 0.000000       0.000000 2943.793       207.8478 ?        ?        348.2502 12.50406 0.000000       12.50406 
1 1 1 -2  15  7  o 496.5217 12.27022 5975.835       291.2721 0.000000       0.000000 5975.835       291.2721 ?        ?        496.5217 12.27022 0.000000       12.27022 
1 1 1 -2  15  8  o 152.0428 12.99039 565.3987       93.52332 0.000000       0.000000 565.3987       93.52332 ?        ?        152.0428 12.99039 0.000000       12.99039 
1 1 1 -2  15  9  o 161.6060 12.44540 637.4401       95.41550 0.000000       0.000000 637.4401       95.41550 ?        ?        161.6060 12.44540 0.000000       12.44540 
1 1 1 -2  15  10 o 186.5328 12.67267 849.0607       112.3428 0.000000       0.000000 849.0607       112.3428 ?        ?        186.5328 12.67267 0.000000       12.67267 
1 1 1 -2  15  11 o 135.3398 14.08016 451.4781       89.77455 0.000000       0.000000 451.4781       89.77455 ?        ?        135.3398 14.08016 0.000000       14.08016 
1 1 1 -2  15  12 o 319.1667 8.801672 2457.399       134.1764 2524.594       296.0263 2440.025       150.5268 317.9016 19.57221 317.6447 9.924232 0.2569580      21.94452 
1 1 1 -2  15  13 o 126.2354 12.52286 391.1463       74.58236 236.2947       175.4732 425.2891       82.39536 95.33037 32.31743 131.4692 13.29138 -36.13884      34.94391 
1 1 1 -2  15  14 o 178.5830 16.71526 792.5893       141.0540 826.7445       193.8880 754.1881       205.5867 179.4132 23.14265 169.6493 26.18969 9.763962       34.94971 
1 1 1 -2  15  15 o 379.1653 15.83963 3543.854       286.4998 3476.979       390.5124 3621.807       421.6169 370.2653 22.16182 376.5491 23.53778 -6.283783      32.32914 
1 1 1 -2  15  16 o 181.4773 15.86239 817.4794       136.2436 1065.558       169.4247 363.4541       229.2040 206.6663 17.30619 113.2851 36.89264 93.38120       40.75010 
1 1 1 -2  15  17 o 350.0590 13.37026 3004.616       223.3522 3004.894       266.2520 3003.956       410.3295 348.1707 16.03838 339.0895 25.49782 9.081207       30.12256 
1 1 1 -2  15  18 o 214.6890 15.86668 1149.365       161.7053 1160.922       196.9708 1125.475       283.2042 213.5533 19.50764 202.1009 30.23842 11.45241       35.98486 
1 1 1 -2  15  19 o 129.5656 23.74926 448.0853       141.6924 466.4264       150.4000 303.3073       422.5578 131.6557 24.80427 109.3114 46.42103 22.34434       52.63234 
1 1 1 -2  15  20 o 164.1755 26.03163 731.9423       197.5139 957.9178       246.1198 323.1108       331.0457 186.0310 28.58603 106.2711 42.67843 79.75983       51.36740 
1 1 1 -2  15  21 o 199.2960 25.38052 1073.776       236.3496 1119.321       261.7113 872.3629       550.3600 201.1420 27.97095 142.3487 55.70385 58.79326       62.33212 
1 1 1 -2  15  22 o 85.12857 33.39739 182.7789       198.2583 287.8528       248.0202 -3.195777      329.9641 98.64202 37.71684 81.84093 37.46951 16.80109       53.16506 
1 1 1 -2  15  23 o 114.1044 34.65208 417.8491       205.6289 280.3275       324.3212 510.2936       265.9075 97.07457 40.91943 120.9749 39.75759 -23.90037      57.05318 
1 1 1 -2  15  24 o 146.4567 40.49478 776.3549       293.0401 1264.702       398.0384 198.4282       433.0093 180.2565 46.03159 92.19008 42.46983 88.06645       62.63061 
1 1 1 -2  15  25 o 264.8793 18.69490 1863.817       235.2234 2340.445       327.4521 1355.637       338.1165 287.8839 24.00992 200.0796 36.69922 87.80437       43.85555 
1 1 1 -2  15  26 o 52.70861 25.09310 -119.9230      173.7611 -0.3667572E-01 245.1739 -240.9137      246.3006 68.22711 31.61620 57.00509 27.79936 11.22202       42.09974 
1 1 1 -2  15  27 o 169.1539 19.83138 797.5656       157.3358 836.2780       193.5397 722.1265       270.1736 166.6355 25.06970 131.3804 39.68237 35.25508       46.93805 
1 1 1 -2  15  28 o 79.94209 32.92611 242.3037       203.0205 451.7595       277.2129 -0.1932661E-03 298.1586 95.30279 38.77234 67.38355 32.29408 27.91924       50.45990 
1 1 1 -2  16  1  o 146.2568 13.20616 524.0566       91.34856 0.000000       0.000000 524.0566       91.34856 ?        ?        146.2568 13.20616 0.000000       13.20616 
1 1 1 -2  16  2  f 235.4316 10.28875 1341.300       115.5276 0.000000       0.000000 1341.300       115.5276 ?        ?        235.4316 10.28875 0.000000       10.28875 
1 1 1 -2  16  3  o 134.5834 13.23884 444.5471       84.08096 0.000000       0.000000 444.5471       84.08096 ?        ?        134.5834 13.23884 0.000000       13.23884 
1 1 1 -2  16  4  o 149.0698 12.11801 542.4582       85.61907 0.000000       0.000000 542.4582       85.61907 ?        ?        149.0698 12.11801 0.000000       12.11801 
1 1 1 -2  16  5  o 260.1978 9.572395 1635.721       118.8753 0.000000       0.000000 1635.721       118.8753 ?        ?        260.1978 9.572395 0.000000       9.572395 
1 1 1 -2  16  6  o 221.8377 10.07389 1191.130       106.5629 0.000000       0.000000 1191.130       106.5629 ?        ?        221.8377 10.07389 0.000000       10.07389 
1 1 1 -2  16  7  o 293.1969 12.12622 2090.072       169.6113 0.000000       0.000000 2090.072       169.6113 ?        ?        293.1969 12.12622 0.000000       12.12622 
1 1 1 -2  16  8  o 160.8999 12.88402 633.5882       98.28195 0.000000       0.000000 633.5882       98.28195 ?        ?        160.8999 12.88402 0.000000       12.88402 
1 1 1 -2  16  9  o 135.5726 13.17064 451.5724       84.29193 0.000000       0.000000 451.5724       84.29193 ?        ?        135.5726 13.17064 0.000000       13.17064 
1 1 1 -2  16  10 o 142.4341 13.99823 500.0096       94.09235 0.000000       0.000000 500.0096       94.09235 ?        ?        142.4341 13.99823 0.000000       13.99823 
1 1 1 -2  16  11 o 45.15620 18.93003 12.16737       68.81310 0.000000       0.000000 12.16737       68.81310 ?        ?        45.15620 18.93003 0.000000       18.93003 
1 1 1 -2  16  12 o 113.5072 13.39097 318.7315       71.27092 0.000000       0.000000 318.7315       71.27092 ?        ?        113.5072 13.39097 0.000000       13.39097 
1 1 1 -2  16  13 o 146.1261 10.69810 520.6551       74.22031 658.5806       133.4951 458.9457       89.29327 161.9560 17.51947 136.2063 13.90735 25.74977       22.36842 
1 1 1 -2  16  14 o 154.2037 11.06962 581.1185       81.06561 643.3918       140.9088 550.3109       99.10967 159.1338 18.88917 149.0375 14.07628 10.09627       23.55721 
1 1 1 -2  16  15 o 209.7305 9.808270 1069.068       98.07491 1109.643       208.6561 1057.562       111.1142 207.5340 21.33317 208.0738 11.21116 -0.5397949     24.09967 
1 1 1 -2  16  16 o 175.9803 16.06053 776.4832       133.6363 779.7903       162.1459 769.4794       235.9657 174.2988 19.80922 165.4718 30.96539 8.827057       36.75950 
1 1 1 -2  16  17 o 36.84693 18.00249 -180.0195      104.6842 -193.1810      109.4473 -38.60419      358.7569 37.34810 18.28132 84.66811 38.87754 -47.32001      42.96126 
1 1 1 -2  16  18 o 61.63461 27.27361 -7.310734      158.6670 -84.98048      207.6994 101.5386       245.8795 63.74205 29.38221 82.32162 35.19874 -18.57957      45.85047 
1 1 1 -2  16  19 o 66.86565 29.70578 0.2762101E-01  190.0800 -37.34255      211.0806 160.2957       437.1288 67.05965 30.41698 98.37431 44.27473 -31.31467      53.71633 
1 1 1 -2  16  20 o 46.65072 21.69435 -76.94580      117.0103 -42.15533      129.8096 -227.7241      270.2379 52.40754 23.80345 63.97255 30.68194 -11.56501      38.83279 
1 1 1 -2  16  21 o 131.2888 25.88896 490.8886       156.7218 463.6279       162.9684 826.1832       571.5412 125.9238 27.81327 125.4921 53.66130 0.4316864      60.44099 
1 1 1 -2  16  22 o 223.8790 18.11294 1315.478       192.2159 1211.535       222.1010 1625.641       383.6595 209.9072 22.48147 219.9448 37.85081 -10.03764      44.02386 
1 1 1 -2  16  23 o 143.7603 24.37977 592.1990       161.5818 697.4253       181.0058 179.3408       358.5344 155.3099 25.24329 86.34807 39.35152 68.96185       46.75217 
1 1 1 -2  16  24 o 121.9044 28.60330 465.3970       163.8146 538.0834       176.2324 3.471084       444.2683 131.1261 28.89258 80.26249 38.70980 50.86359       48.30352 
1 1 1 -2  16  25 o 120.8063 37.16261 579.0532       235.5200 314.5482       318.2039 899.5137       350.2482 87.46608 38.66765 133.4695 45.65083 -46.00339      59.82630 
1 1 1 -2  16  26 o 66.36618 30.37774 68.80536       216.7174 225.7859       285.0756 -146.1351      333.5771 78.64965 35.54321 64.56592 31.66843 14.08373       47.60471 
1 1 1 -2  17  1  o 185.3988 11.21807 836.3654       98.96843 0.000000       0.000000 836.3654       98.96843 ?        ?        185.3988 11.21807 0.000000       11.21807 
1 1 1 -2  17  2  o 210.9131 9.719118 1077.086       97.73940 0.000000       0.000000 1077.086       97.73940 ?        ?        210.9131 9.719118 0.000000       9.719118 
1 1 1 -2  17  3  o 68.15672 16.13284 118.7810       51.74729 0.000000       0.000000 118.7810       51.74729 ?        ?        68.15672 16.13284 0.000000       16.13284 
1 1 1 -2  17  4  o 261.5189 12.40270 1668.008       154.6280 0.000000       0.000000 1668.008       154.6280 ?        ?        261.5189 12.40270 0.000000       12.40270 
1 1 1 -2  17  5  o 210.3651 10.25521 1073.708       102.8291 0.000000       0.000000 1073.708       102.8291 ?        ?        210.3651 10.25521 0.000000       10.25521 
1 1 1 -2  17  6  o 242.1385 9.832994 1420.625       113.5935 0.000000       0.000000 1420.625       113.5935 ?        ?        242.1385 9.832994 0.000000       9.832994 
1 1 1 -2  17  7  f 290.9450 9.536550 2049.400       132.4718 0.000000       0.000000 2049.400       132.4718 ?        ?        290.9450 9.536550 0.000000       9.536550 
1 1 1 -2  17  8  o 279.4521 13.31719 1915.636       177.4095 0.000000       0.000000 1915.636       177.4095 ?        ?        279.4521 13.31719 0.000000       13.31719 
1 1 1 -2  17  9  o 156.1934 13.18762 601.3434       97.55839 0.000000       0.000000 601.3434       97.55839 ?        ?        156.1934 13.18762 0.000000       13.18762 
1 1 1 -2  17  10 o 74.68906 21.24657 146.2028       79.46876 0.000000       0.000000 146.2028       79.46876 ?        ?        74.68906 21.24657 0.000000       21.24657 
1 1 1 -2  17  11 o 128.0251 13.77687 407.2348       82.99897 0.000000       0.000000 407.2348       82.99897 ?        ?        128.0251 13.77687 0.000000       13.77687 
1 1 1 -2  17  12 o 31.27306 14.09663 -20.49827      44.50823 0.000000       0.000000 -20.49827      44.50823 ?        ?        31.27306 14.09663 0.000000       14.09663 
1 1 1 -2  17  13 o 232.9930 11.46815 1329.059       127.3527 0.000000       0.000000 1329.059       127.3527 ?        ?        232.9930 11.46815 0.000000       11.46815 
1 1 1 -2  17  14 o 112.8324 14.58451 320.1017       76.83592 0.000000       0.000000 320.1017       76.83592 ?        ?        112.8324 14.58451 0.000000       14.58451 
1 1 1 -2  17  15 o 86.89954 17.02888 195.6306       68.21662 306.1970       121.8732 145.1853       82.32039 105.7313 24.57790 73.88687 21.80707 31.84447       32.85760 
1 1 1 -2  17  16 o 247.0667 9.745447 1488.387       114.8872 1875.011       231.2849 1361.740       132.3734 271.1974 17.93911 235.2238 11.80871 35.97363       21.47690 
1 1 1 -2  17  17 o 138.4809 12.70307 478.0046       83.16603 371.9081       212.7770 497.1359       90.35365 108.4753 35.55993 140.8381 13.58740 -32.36272      38.06738 
1 1 1 -2  17  18 o 182.0450 19.14050 869.9751       164.0975 860.6219       177.3073 925.8218       433.2572 179.4102 21.07274 145.1502 50.71857 34.25998       54.92207 
1 1 1 -2  17  19 o 134.4247 22.09001 496.8655       137.0388 558.0684       155.6763 286.1848       288.8347 141.0716 23.93677 94.26287 39.09109 46.80869       45.83756 
1 1 1 -2  17  20 o 122.9636 26.05597 443.4121       148.4098 442.6795       155.5860 450.8088       494.3707 121.6253 27.41493 102.2971 46.45916 19.32817       53.94471 
1 1 1 -2  17  21 o 85.23563 33.32038 230.8348       196.7569 85.75859       237.8094 545.6537       350.3171 73.97170 33.02148 109.9587 43.99055 -35.98704      55.00533 
1 1 1 -2  17  22 o 87.64711 34.17720 269.7884       206.5845 385.5256       250.7670 25.35053       364.4333 98.27332 37.83609 76.48323 36.39132 21.79009       52.49665 
1 1 1 -2  17  23 o 77.07653 33.71570 182.6273       236.0975 209.5699       256.0192 29.43837       610.4732 79.49727 34.93207 80.45980 40.06170 -0.9625320     53.15252 
1 1 1 -2  17  24 o 93.98450 36.39017 392.0182       232.9229 263.6177       305.3419 570.7255       360.2254 80.73289 36.60483 97.49063 42.15398 -16.75774      55.82895 
1 1 1 -2  18  1  o 106.7393 16.73644 289.4250       82.60179 0.000000       0.000000 289.4250       82.60179 ?        ?        106.7393 16.73644 0.000000       16.73644 
1 1 1 -2  18  2  o 175.7043 12.32773 758.0259       102.8986 0.000000       0.000000 758.0259       102.8986 ?        ?        175.7043 12.32773 0.000000       12.32773 
1 1 1 -2  18  3  f 177.9728 12.44473 778.2123       105.2209 0.000000       0.000000 778.2123       105.2209 ?        ?        177.9728 12.44473 0.000000       12.44473 
1 1 1 -2  18  4  o 173.2312 12.49258 737.8577       102.7684 0.000000       0.000000 737.8577       102.7684 ?        ?        173.2312 12.49258 0.000000       12.49258 
1 1 1 -2  18  5  o 140.5092 12.23901 486.2175       81.39705 0.000000       0.000000 486.2175       81.39705 ?        ?        140.5092 12.23901 0.000000       12.23901 
1 1 1 -2  18  6  o 128.1064 12.31453 405.0596       74.49383 0.000000       0.000000 405.0596       74.49383 ?        ?        128.1064 12.31453 0.000000       12.31453 
1 1 1 -2  18  7  o 286.0954 9.846687 1989.304       134.4812 0.000000       0.000000 1989.304       134.4812 ?        ?        286.0954 9.846687 0.000000       9.846687 
1 1 1 -2  18  8  o 223.9201 10.76237 1224.052       114.8778 0.000000       0.000000 1224.052       114.8778 ?        ?        223.9201 10.76237 0.000000       10.76237 
1 1 1 -2  18  9  o 306.5877 14.83055 2335.602       216.7357 0.000000       0.000000 2335.602       216.7357 ?        ?        306.5877 14.83055 0.000000       14.83055 
1 1 1 -2  18  10 o 215.1301 10.97136 1132.616       112.4692 0.000000       0.000000 1132.616       112.4692 ?        ?        215.1301 10.97136 0.000000       10.97136 
1 1 1 -2  18  11 o 83.27890 17.05004 180.2973       65.59689 0.000000       0.000000 180.2973       65.59689 ?        ?        83.27890 17.05004 0.000000       17.05004 
1 1 1 -2  18  12 o 75.52087 22.65506 153.8434       88.27959 0.000000       0.000000 153.8434       88.27959 ?        ?        75.52087 22.65506 0.000000       22.65506 
1 1 1 -2  18  13 f 294.5585 10.52573 2126.910       147.9904 0.000000       0.000000 2126.910       147.9904 ?        ?        294.5585 10.52573 0.000000       10.52573 
1 1 1 -2  18  14 o 136.1047 14.82053 470.5031       94.88153 0.000000       0.000000 470.5031       94.88153 ?        ?        136.1047 14.82053 0.000000       14.82053 
1 1 1 -2  18  15 f 81.91537 17.84268 179.1417       67.89442 0.000000       0.000000 179.1417       67.89442 ?        ?        81.91537 17.84268 0.000000       17.84268 
1 1 1 -2  18  16 o 66.30772 20.27317 119.5006       70.22559 121.8600       123.1960 118.3649       85.47181 69.51682 26.58174 66.41322 22.55456 3.103600       34.86111 
1 1 1 -2  18  17 o 112.1580 16.11649 328.6046       83.94025 387.6659       160.0300 306.1875       98.59165 111.6596 29.52965 105.7230 20.24269 5.936592       35.80177 
1 1 1 -2  18  18 o 187.8397 12.30687 886.9269       109.9120 841.3583       232.7915 899.9995       124.6847 163.8011 30.85810 187.9048 13.97943 -24.10368      33.87693 
1 1 1 -2  18  19 o 92.40654 16.96898 229.7798       72.20468 406.8585       224.4335 209.3355       76.25900 103.3492 36.47289 86.98782 18.87991 16.36138       41.06973 
1 1 1 -2  18  20 o 72.86977 27.19595 161.7715       127.1685 112.8338       140.3199 386.7427       300.8577 66.65477 27.40506 93.18105 39.35183 -26.52628      47.95419 
1 1 1 -2  18  21 o 159.9279 21.25772 737.2803       158.5144 856.0539       181.4252 354.0892       325.8707 170.2422 22.86846 87.11045 38.78568 83.13178       45.02549 
1 1 1 -2  19  1  o 101.0622 14.83224 259.6580       69.53309 0.000000       0.000000 259.6580       69.53309 ?        ?        101.0622 14.83224 0.000000       14.83224 
1 1 1 -2  19  2  o 101.9108 15.97537 266.3712       75.27973 0.000000       0.000000 266.3712       75.27973 ?        ?        101.9108 15.97537 0.000000       15.97537 
1 1 1 -2  19  3  o 72.44444 21.44807 140.7202       79.53063 0.000000       0.000000 140.7202       79.53063 ?        ?        72.44444 21.44807 0.000000       21.44807 
1 1 1 -2  19  4  o 220.8431 12.66656 1208.529       133.1758 0.000000       0.000000 1208.529       133.1758 ?        ?        220.8431 12.66656 0.000000       12.66656 
1 1 1 -2  19  5  o 120.4158 17.16163 374.2382       96.00581 0.000000       0.000000 374.2382       96.00581 ?        ?        120.4158 17.16163 0.000000       17.16163 
1 1 1 -2  19  6  o 80.53848 21.54586 176.8526       84.58144 0.000000       0.000000 176.8526       84.58144 ?        ?        80.53848 21.54586 0.000000       21.54586 
1 1 1 -2  19  7  o 108.0024 13.30910 293.8347       67.26921 0.000000       0.000000 293.8347       67.26921 ?        ?        108.0024 13.30910 0.000000       13.30910 
1 1 1 -2  19  8  o 128.3789 13.70878 415.4448       82.83909 0.000000       0.000000 415.4448       82.83909 ?        ?        128.3789 13.70878 0.000000       13.70878 
1 1 1 -2  19  9  o 166.0637 13.55568 693.0074       106.6873 0.000000       0.000000 693.0074       106.6873 ?        ?        166.0637 13.55568 0.000000       13.55568 
1 1 1 -2  19  10 o 34.21209 16.10956 -63.33206      67.96605 0.000000       0.000000 -63.33206      67.96605 ?        ?        34.21209 16.10956 0.000000       16.10956 
1 1 1 -2  19  11 o 72.23540 17.03436 139.1603       57.86530 0.000000       0.000000 139.1603       57.86530 ?        ?        72.23540 17.03436 0.000000       17.03436 
1 1 1 -2  19  12 o 239.3082 11.69242 1424.167       133.3687 0.000000       0.000000 1424.167       133.3687 ?        ?        239.3082 11.69242 0.000000       11.69242 
1 1 1 -2  19  13 o 111.2635 15.54751 321.4831       80.44817 0.000000       0.000000 321.4831       80.44817 ?        ?        111.2635 15.54751 0.000000       15.54751 
1 1 1 -2  19  14 o 42.35463 19.23023 -28.65577      84.62456 0.000000       0.000000 -28.65577      84.62456 ?        ?        42.35463 19.23023 0.000000       19.23023 
1 1 1 -2  19  15 o 160.2384 13.74834 657.0912       104.3065 0.000000       0.000000 657.0912       104.3065 ?        ?        160.2384 13.74834 0.000000       13.74834 
1 1 1 -2  19  16 o 61.41672 23.06664 98.75598       91.78151 0.000000       0.000000 98.75598       91.78151 ?        ?        61.41672 23.06664 0.000000       23.06664 
1 1 1 -2  19  17 o 109.2097 19.58449 335.0117       98.49776 0.000000       0.000000 335.0117       98.49776 ?        ?        109.2097 19.58449 0.000000       19.58449 
1 1 1 -2  19  18 o 50.57173 20.35393 52.78109       75.47077 3.149351       132.9990 76.35290       91.65689 53.46532 24.20835 56.61206 22.55042 -3.146744      33.08422 
1 1 1 -2  20  1  o 50.32015 18.27680 58.48336       56.78835 0.000000       0.000000 58.48336       56.78835 ?        ?        50.32015 18.27680 0.000000       18.27680 
1 1 1 -2  20  2  o 163.3072 14.14392 676.6445       109.3414 0.000000       0.000000 676.6445       109.3414 ?        ?        163.3072 14.14392 0.000000       14.14392 
1 1 1 -2  20  3  o 78.39386 17.80599 165.1266       65.20982 0.000000       0.000000 165.1266       65.20982 ?        ?        78.39386 17.80599 0.000000       17.80599 
1 1 1 -2  20  4  o 224.2195 12.01288 1253.671       128.3041 0.000000       0.000000 1253.671       128.3041 ?        ?        224.2195 12.01288 0.000000       12.01288 
1 1 1 -2  20  5  o 60.27958 21.98196 90.24581       82.26229 0.000000       0.000000 90.24581       82.26229 ?        ?        60.27958 21.98196 0.000000       21.98196 
1 1 1 -2  20  6  o 162.7984 12.80864 667.7123       98.88990 0.000000       0.000000 667.7123       98.88990 ?        ?        162.7984 12.80864 0.000000       12.80864 
1 1 1 -2  20  7  o 90.42441 21.46473 230.1257       91.39699 0.000000       0.000000 230.1257       91.39699 ?        ?        90.42441 21.46473 0.000000       21.46473 
1 1 1 -2  20  8  o 143.2872 13.08436 521.1614       88.64504 0.000000       0.000000 521.1614       88.64504 ?        ?        143.2872 13.08436 0.000000       13.08436 
1 1 1 -2  20  9  o 162.3784 13.63144 673.2756       104.8466 0.000000       0.000000 673.2756       104.8466 ?        ?        162.3784 13.63144 0.000000       13.63144 
1 1 1 -2  20  10 f 84.74709 16.37637 192.6103       63.95014 0.000000       0.000000 192.6103       63.95014 ?        ?        84.74709 16.37637 0.000000       16.37637 
1 1 1 -2  20  11 o 67.29717 21.95897 129.4068       81.18189 0.000000       0.000000 129.4068       81.18189 ?        ?        67.29717 21.95897 0.000000       21.95897 
1 1 1 -2  20  12 o 49.58786 20.52469 40.14913       79.41242 0.000000       0.000000 40.14913       79.41242 ?        ?        49.58786 20.52469 0.000000       20.52469 
1 1 1 -2  20  13 o 136.1344 14.31760 484.0937       91.79174 0.000000       0.000000 484.0937       91.79174 ?        ?        136.1344 14.31760 0.000000       14.31760 
1 1 1 -1  -22 1  o 89.92062 21.20580 227.2733       89.67266 227.2733       89.67266 0.000000       0.000000 89.92062 21.20580 ?        ?        0.000000       21.20580 
1 1 1 -1  -22 2  o 48.83631 21.17328 12.35814       91.37509 12.35814       91.37509 0.000000       0.000000 48.83631 21.17328 ?        ?        0.000000       21.17328 
1 1 1 -1  -21 1  o 166.5781 13.00093 691.7024       102.7187 691.7024       102.7187 0.000000       0.000000 166.5781 13.00093 ?        ?        0.000000       13.00093 
1 1 1 -1  -21 2  o 65.26556 22.84094 107.6344       87.89065 107.6344       87.89065 0.000000       0.000000 65.26556 22.84094 ?        ?        0.000000       22.84094 
1 1 1 -1  -21 3  o 146.1374 15.49509 542.9978       106.6113 542.9978       106.6113 0.000000       0.000000 146.1374 15.49509 ?        ?        0.000000       15.49509 
1 1 1 -1  -21 4  o 63.76610 22.90890 100.3997       88.91903 100.3997       88.91903 0.000000       0.000000 63.76610 22.90890 ?        ?        0.000000       22.90890 
1 1 1 -1  -21 5  o 105.7787 16.72159 290.9622       81.75622 290.9622       81.75622 0.000000       0.000000 105.7787 16.72159 ?        ?        0.000000       16.72159 
1 1 1 -1  -21 6  o 47.90506 19.93544 26.06692       75.48900 46.49717       136.4061 17.04746       90.63321 61.75813 26.30598 49.96067 21.36632 11.79746       33.88988 
1 1 1 -1  -21 7  o 112.1911 14.03780 320.7278       73.65150 318.5326       149.6276 321.4298       84.61177 102.2930 29.17198 111.1001 16.42407 -8.807053      33.47767 
1 1 1 -1  -21 8  o 66.54045 17.30108 118.8085       55.54421 181.2121       105.2944 94.74805       65.38100 79.40449 24.91689 60.03078 19.71350 19.37371       31.77222 
1 1 1 -1  -21 9  o 81.94467 15.95537 177.0391       60.25903 135.5961       201.8195 181.0954       63.13912 76.71747 32.30550 82.62387 16.56123 -5.906403      36.30317 
1 1 1 -1  -20 1  o 126.7227 13.59200 399.0134       81.06148 399.0134       81.06148 0.000000       0.000000 126.7227 13.59200 ?        ?        0.000000       13.59200 
1 1 1 -1  -20 2  o 82.15129 16.74290 174.0092       63.52496 174.0092       63.52496 0.000000       0.000000 82.15129 16.74290 ?        ?        0.000000       16.74290 
1 1 1 -1  -20 3  o 53.25375 19.23918 62.78236       62.81695 62.78236       62.81695 0.000000       0.000000 53.25375 19.23918 ?        ?        0.000000       19.23918 
1 1 1 -1  -20 4  o 66.10286 18.68594 114.0377       61.66372 114.0377       61.66372 0.000000       0.000000 66.10286 18.68594 ?        ?        0.000000       18.68594 
1 1 1 -1  -20 5  o 43.81320 17.48931 27.99731       55.24781 75.42593       70.36678 -48.22955      89.20752 57.11750 20.39589 42.60482 19.49711 14.51269       28.21577 
1 1 1 -1  -20 6  o 83.82386 13.94630 178.2310       53.92715 161.9023       84.01595 189.6718       70.32616 77.62143 21.76556 85.15847 17.84547 -7.537041      28.14605 
1 1 1 -1  -20 7  o 87.26348 15.60329 195.6393       62.70676 236.6814       85.31419 147.4129       92.48015 94.57163 19.51665 74.24634 23.35898 20.32529       30.43915 
1 1 1 -1  -20 8  o 134.3154 13.35045 450.5804       84.59576 377.7278       190.3340 468.5148       94.43609 111.6614 33.21072 136.3721 14.71733 -24.71078      36.32563 
1 1 1 -1  -20 9  o 308.6710 9.744968 2324.698       143.6283 2649.280       289.5001 2218.720       165.4226 320.6910 18.96695 300.3219 11.54273 20.36914       22.20315 
1 1 1 -1  -20 10 o 102.0038 14.48019 264.5668       68.63338 187.8275       214.9999 273.2742       72.42262 85.87653 34.42635 103.4410 15.08859 -17.56451      37.58775 
1 1 1 -1  -20 11 o 66.52695 19.89604 118.4471       68.16546 144.7313       138.7618 110.0868       78.25900 75.07603 28.32647 64.84496 21.57881 10.23108       35.60946 
1 1 1 -1  -20 12 o 126.9740 14.70664 411.2637       87.62752 336.7365       161.7772 442.2081       104.2439 104.5941 30.48928 130.3081 17.14871 -25.71404      34.98106 
1 1 1 -1  -20 13 o 41.55757 18.12237 -1.238056      67.75475 -82.41825      213.1918 7.882706       71.45966 61.99700 28.98077 43.91101 18.87904 18.08599       34.58762 
1 1 1 -1  -19 1  o 68.38664 20.45056 119.5811       72.02032 119.5811       72.02032 0.000000       0.000000 68.38664 20.45056 ?        ?        0.000000       20.45056 
1 1 1 -1  -19 2  o 108.3863 14.78810 293.3241       74.63284 293.3241       74.63284 0.000000       0.000000 108.3863 14.78810 ?        ?        0.000000       14.78810 
1 1 1 -1  -19 3  o 111.3653 15.76739 311.2126       81.60452 311.2126       81.60452 0.000000       0.000000 111.3653 15.76739 ?        ?        0.000000       15.76739 
1 1 1 -1  -19 4  o 89.69097 13.82878 201.2423       57.39456 165.3772       71.81247 264.6620       95.49407 79.81409 19.07920 100.9292 20.49084 -21.11516      27.99805 
1 1 1 -1  -19 5  o 177.4499 9.501194 763.6424       80.31120 858.2078       107.8929 646.1434       120.2663 187.3306 12.11183 161.1128 15.81735 26.21780       19.92197 
1 1 1 -1  -19 6  o 76.85207 15.54925 150.4957       55.16701 127.5161       70.26119 187.4355       89.08254 70.22195 19.97850 84.37229 21.89682 -14.15034      29.64138 
1 1 1 -1  -19 7  o 219.6612 9.815066 1170.708       102.8150 1253.425       174.7898 1126.946       127.1362 224.3949 16.40614 214.5457 12.44830 9.849182       20.59421 
1 1 1 -1  -19 8  o 138.8336 11.11337 471.7045       73.14925 489.3520       118.4498 460.8251       93.00276 138.7792 18.29799 136.1109 14.51580 2.668381       23.35647 
1 1 1 -1  -19 9  o 79.60255 15.89772 162.4024       58.38294 212.0086       155.1870 154.2239       63.01218 88.98027 30.38822 77.09947 17.49710 11.88080       35.06554 
1 1 1 -1  -19 10 o 75.10844 19.52026 148.6578       70.72787 125.4149       100.1859 171.7514       99.86355 70.74141 24.40763 80.05740 24.11366 -9.315994      34.31036 
1 1 1 -1  -19 11 o 231.9860 12.10816 1323.842       133.8266 1308.942       247.4673 1330.001       159.0975 222.1570 23.66343 231.1425 14.46969 -8.985580      27.73679 
1 1 1 -1  -19 12 o 134.9667 16.13511 462.4407       102.0532 237.6324       158.3152 622.2720       133.4897 91.60276 30.69602 155.5956 18.29407 -63.99284      35.73400 
1 1 1 -1  -19 13 o 84.70285 22.57518 195.5554       93.07224 225.5607       150.0813 176.8049       118.6409 89.30141 29.88656 80.54069 26.56080 8.760719       39.98353 
1 1 1 -1  -19 14 o 51.18919 21.66022 21.26768       91.44278 131.4557       170.5866 -23.16129      108.3205 76.66796 30.68882 49.63469 22.21257 27.03328       37.88406 
1 1 1 -1  -19 15 o 127.6922 15.25687 416.2718       91.29949 450.8628       132.9910 385.4369       125.5629 128.5245 22.46069 118.2525 23.03821 10.27195       32.17517 
1 1 1 -1  -19 16 o 104.5749 18.25678 290.2914       87.95759 260.8681       125.6791 318.5385       123.1413 94.21510 26.69169 105.5180 24.82716 -11.30290      36.45318 
1 1 1 -1  -18 1  o 147.4205 12.25335 530.3657       85.58167 530.3657       85.58167 0.000000       0.000000 147.4205 12.25335 ?        ?        0.000000       12.25335 
1 1 1 -1  -18 2  o 282.1562 11.91264 1932.095       160.3348 1932.095       160.3348 0.000000       0.000000 282.1562 11.91264 ?        ?        0.000000       11.91264 
1 1 1 -1  -18 3  o 68.52701 15.28661 119.1285       48.80766 156.9895       58.00290 27.29713       90.33355 78.73605 15.95594 53.30243 21.95949 25.43362       27.14427 
1 1 1 -1  -18 4  o 148.7679 10.29701 537.0948       72.78482 618.6973       105.2730 462.3642       100.7429 158.7563 14.01378 136.5787 15.71453 22.17754       21.05546 
1 1 1 -1  -18 5  o 55.76294 16.65987 77.53162       47.81275 98.41273       58.64686 36.14473       82.56565 62.47849 18.39742 52.81089 21.27721 9.667599       28.12801 
1 1 1 -1  -18 6  o 79.55788 13.40209 158.2271       49.16601 118.4583       82.45393 180.1684       61.24521 68.96331 22.09960 84.41561 15.75474 -15.45230      27.14045 
1 1 1 -1  -18 7  o 161.2545 11.71529 634.3470       89.70177 527.9301       149.0909 694.7258       112.3022 143.1456 22.52909 168.0538 14.10767 -24.90817      26.58169 
1 1 1 -1  -18 8  o 237.2460 9.930997 1363.107       112.3929 1241.576       190.4902 1428.008       139.2053 223.1133 18.01122 242.1004 12.06487 -18.98709      21.67868 
1 1 1 -1  -18 9  o 158.4799 12.15156 614.3837       91.36694 686.5617       163.7853 581.7748       110.0880 163.8763 21.41700 153.1973 15.23232 10.67897       26.28140 
1 1 1 -1  -18 10 o 40.08042 16.18126 19.05566       47.85971 45.54818       89.15638 8.331154       56.72562 55.56166 22.20449 40.79390 17.14964 14.76776       28.05618 
1 1 1 -1  -18 11 o 88.11170 17.02506 198.2768       69.12262 474.9668       189.8303 155.9829       74.21777 131.0422 30.82037 77.40941 19.93422 53.63281       36.70516 
1 1 1 -1  -18 12 f 82.98101 18.70227 178.5921       72.41451 197.4321       122.0417 168.3547       89.96282 86.22656 26.79029 79.98335 22.55630 6.243217       35.02151 
1 1 1 -1  -18 13 o 176.1410 11.42741 759.1575       95.71199 1043.501       165.9673 617.4714       117.1560 203.8333 17.19105 157.0959 15.81375 46.73743       23.35823 
1 1 1 -1  -18 14 o 84.11207 23.02639 190.2688       95.28545 -42.36683      168.4577 299.7154       115.5457 60.68955 27.38432 105.4608 23.51641 -44.77126      36.09602 
1 1 1 -1  -18 15 o 58.08436 20.96310 77.26977       74.55542 3.210019       108.6036 143.2810       102.5326 53.06465 23.04436 74.05148 24.70111 -20.98683      33.78147 
1 1 1 -1  -18 16 o 78.85746 17.12107 162.3680       62.69351 102.4651       114.5400 187.9909       74.91128 67.63667 25.68645 84.30181 19.03826 -16.66515      31.97264 
1 1 1 -1  -18 17 o 46.04453 18.08306 36.05390       58.17558 448.2133       343.8795 23.91037       59.02638 113.7101 44.16422 43.81845 17.86703 69.89166       47.64147 
1 1 1 -1  -18 18 o 107.8383 15.63128 298.9923       78.24226 443.3297       222.3343 278.5906       83.58922 116.2729 36.16534 103.0991 17.58907 13.17377       40.21576 
1 1 1 -1  -18 19 o 121.7032 18.51237 392.0368       104.3237 357.6980       240.5124 399.9947       115.7827 102.4347 37.54992 121.5760 20.65834 -19.14130      42.85748 
1 1 1 -1  -17 1  f 376.8008 10.00381 3425.625       180.0534 3425.625       180.0534 0.000000       0.000000 376.8008 10.00381 ?        ?        0.000000       10.00381 
1 1 1 -1  -17 2  o 188.0223 9.274703 853.3978       83.11424 748.2199       105.0450 1029.472       135.9130 175.2790 12.61985 205.3574 13.92575 -30.07841      18.79328 
1 1 1 -1  -17 3  o 195.3172 9.152551 920.5500       85.22787 860.0883       116.4177 990.3800       125.1122 187.8652 13.04276 201.6523 13.04745 -13.78712      18.44856 
1 1 1 -1  -17 4  o 228.2325 8.616147 1255.004       93.84658 1355.489       131.0604 1149.266       134.4425 236.4589 11.62898 217.2964 13.00067 19.16251       17.44278 
1 1 1 -1  -17 5  o 349.5365 10.47973 2951.105       174.9284 2825.804       203.2148 3309.564       343.7152 341.2912 12.47536 365.4419 19.74641 -24.15063      23.35713 
1 1 1 -1  -17 6  o 64.67828 19.61418 104.3351       65.91386 14.67658       114.1309 149.2059       80.74014 57.16331 24.19383 76.35378 21.31053 -19.19048      32.24097 
1 1 1 -1  -17 7  o 39.99263 15.71670 23.26438       43.97112 77.43673       71.79916 -9.246811      55.62204 58.87187 20.64138 37.61882 16.41203 21.25305       26.37084 
1 1 1 -1  -17 8  o 125.3218 12.92052 384.8527       76.30484 309.6323       139.9521 416.6720       91.02414 108.2908 27.09974 129.9418 14.92260 -21.65101      30.93671 
1 1 1 -1  -17 9  o 173.1676 11.29072 728.2719       92.96554 769.9673       139.4794 694.9423       124.7041 176.4628 16.73281 167.9055 15.71755 8.557297       22.95710 
1 1 1 -1  -17 10 o 338.1775 13.99868 2791.428       225.8397 2653.331       324.0156 2921.905       314.9485 325.5782 20.92706 342.8611 19.29160 -17.28299      28.46239 
1 1 1 -1  -17 11 o 177.0252 11.73992 763.3585       98.79797 644.9257       156.3858 842.0239       127.4540 159.3427 21.04231 185.0717 14.52094 -25.72897      25.56631 
1 1 1 -1  -17 12 o 37.50435 15.56886 9.826504       45.87991 223.7478       110.1073 -35.11939      50.47009 92.05325 24.56353 31.73665 14.57611 60.31659       28.56273 
1 1 1 -1  -17 13 o 60.98232 17.52976 94.39074       53.82226 243.5698       118.9252 55.96521       60.35729 95.62375 25.53352 51.67885 18.83166 43.94490       31.72684 
1 1 1 -1  -17 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -17 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -17 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -17 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -17 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -17 20 o 66.93266 24.61941 108.5883       103.5300 365.0624       296.1890 72.89128       110.5002 105.6242 40.99758 62.03513 24.74377 43.58902       47.88586 
1 1 1 -1  -17 21 o 81.97820 20.21207 183.1843       78.70784 411.8979       320.0539 168.4620       81.20154 106.8939 42.28029 78.27443 21.18590 28.61944       47.29128 
1 1 1 -1  -16 1  o 277.7856 12.19530 1868.108       161.5663 1868.108       161.5663 0.000000       0.000000 277.7856 12.19530 ?        ?        0.000000       12.19530 
1 1 1 -1  -16 2  o 165.3961 8.116745 658.6415       63.98630 741.1884       85.07030 551.1016       97.09857 175.1284 10.20466 150.2164 13.66990 24.91199       17.05876 
1 1 1 -1  -16 3  o 115.5433 9.970146 323.7971       54.53678 355.1486       80.75256 297.5058       73.94906 120.1726 14.33788 109.8253 14.43282 10.34725       20.34407 
1 1 1 -1  -16 4  f 360.9599 7.864555 3129.026       135.7193 3135.545       196.9148 3123.126       187.3167 360.2288 11.44836 359.6924 10.90533 0.5364380      15.81111 
1 1 1 -1  -16 5  o 322.0860 13.18782 2516.947       202.6440 2494.821       286.5978 2539.069       286.5660 318.1988 18.92484 321.1055 18.74830 -2.906708      26.63922 
1 1 1 -1  -16 6  o 214.1781 11.03010 1109.850       112.5634 1118.035       165.9125 1102.869       153.2214 213.4436 16.38403 212.3684 15.19144 1.075150       22.34315 
1 1 1 -1  -16 7  o 273.0701 9.521597 1797.632       124.1158 1911.324       230.1887 1751.031       147.3739 278.9060 17.34896 268.9869 11.48635 9.919098       20.80680 
1 1 1 -1  -16 8  f 82.63856 15.24602 171.3495       58.01625 -41.17136      151.0196 208.1438       62.83813 59.35532 26.41724 91.37183 14.89758 -32.01651      30.32834 
1 1 1 -1  -16 9  o 152.8872 10.86603 567.0177       78.90614 708.9865       130.2942 484.7953       99.15706 169.6290 16.26539 140.3417 15.01132 29.28732       22.13374 
1 1 1 -1  -16 10 o 316.8604 9.694816 2421.190       146.6914 2266.211       289.1497 2474.901       170.2235 302.1944 20.12847 319.9106 11.14671 -17.71613      23.00879 
1 1 1 -1  -16 11 o 51.78355 17.06659 63.10106       48.98568 159.1454       120.3790 44.04076       53.62652 80.54338 26.76192 47.67978 17.68635 32.86361       32.07814 
1 1 1 -1  -16 12 o 261.1922 12.22277 1655.458       152.2061 1693.656       227.3057 1624.410       204.9325 261.8188 18.27410 257.0476 16.76741 4.771179       24.80098 
1 1 1 -1  -16 13 o 144.3553 12.73300 509.3520       86.97637 517.4023       180.9442 506.9330       99.18667 140.0472 28.00404 143.4993 14.66348 -3.452057      31.61081 
1 1 1 -1  -16 14 o 62.31778 16.68199 98.79305       50.68425 180.2709       93.50262 64.89069       60.31411 83.25114 22.81772 53.92804 18.91777 29.32310       29.64001 
1 1 1 -1  -16 15 o 71.81087 16.70933 131.8670       56.28426 130.9720       104.6975 132.2308       66.75023 73.41714 24.96226 71.69434 19.12280 1.722794       31.44513 
1 1 1 -1  -16 16 o 152.5503 13.33992 571.8255       96.31351 899.3459       183.8387 447.9213       113.0735 188.3423 20.76046 133.2548 18.22594 55.08751       27.62575 
1 1 1 -1  -16 17 o 142.8911 12.83706 501.5795       86.76224 401.4189       136.5529 569.3892       112.3566 123.5994 23.97399 151.3280 15.76066 -27.72858      28.69060 
1 1 1 -1  -16 18 o 130.3204 15.07909 423.1518       92.21837 537.9083       193.3385 389.3545       104.9230 139.9738 29.80546 123.7784 18.27963 16.19537       34.96441 
1 1 1 -1  -16 19 o 95.11269 26.44781 247.3857       124.6100 352.6082       334.9935 230.4883       134.2431 111.1639 43.47121 91.78799 28.02324 19.37595       51.72086 
1 1 1 -1  -16 20 o 36.58138 17.90367 -185.2439      104.8688 -209.5799      159.0107 -166.5110      139.5094 47.76639 23.06725 46.03430 22.06971 1.732090       31.92444 
1 1 1 -1  -16 21 o 122.5361 17.25028 385.1063       98.26397 -156.3501      192.0040 577.2509       114.3780 56.62798 26.78899 151.0187 16.08920 -94.39072      31.24920 
1 1 1 -1  -16 22 o 100.2334 24.80901 280.5334       118.2401 283.7614       190.4552 278.5090       150.8267 97.38410 33.65023 97.60916 29.68455 -0.2250595     44.87215 
1 1 1 -1  -16 23 o 36.02869 17.06133 -79.19073      78.25370 233.7974       207.1680 -131.2802      84.51494 89.39941 34.39770 33.87442 16.46626 55.52499       38.13581 
1 1 1 -1  -15 1  o 181.2250 8.169303 790.0174       70.59816 821.8302       96.00902 752.5653       104.1715 184.3954 10.93981 176.1332 12.45109 8.262177       16.57435 
1 1 1 -1  -15 2  o 219.2135 7.904632 1154.807       82.70766 1247.940       116.5388 1060.296       117.3985 227.3940 10.75015 209.3549 11.77675 18.03903       15.94546 
1 1 1 -1  -15 3  o 37.56055 13.53287 28.64346       31.05460 -14.93617      46.70485 63.17858       41.57676 33.39885 14.78730 50.94540 15.60346 -17.54655      21.49726 
1 1 1 -1  -15 4  o 147.9876 9.934592 529.1884       69.88120 492.5744       100.9816 562.8361       96.80456 141.7299 15.13703 151.9801 13.46205 -10.25029      20.25725 
1 1 1 -1  -15 5  f 341.9657 13.49326 2833.065       220.1682 2919.536       312.7972 2748.161       309.9520 344.9027 19.04350 334.3997 19.47166 10.50302       27.23601 
1 1 1 -1  -15 6  o 118.3055 11.29204 340.4134       63.09437 378.5598       95.87811 311.2758       83.79533 123.6544 16.64013 112.0622 16.10239 11.59213       23.15559 
1 1 1 -1  -15 7  o 158.4470 10.99133 607.9416       82.74507 735.6401       145.2598 546.6016       100.6756 172.6874 17.85155 149.5261 14.25544 23.16122       22.84503 
1 1 1 -1  -15 8  o 162.4488 10.96216 638.9458       84.63901 774.3940       155.4476 581.8689       100.9085 176.9387 18.65659 154.3979 13.81616 22.54077       23.21539 
1 1 1 -1  -15 9  o 173.0526 10.66204 724.4128       87.78355 807.6716       138.5767 668.6107       113.4490 181.4379 16.14388 165.3877 14.49429 16.05011       21.69584 
1 1 1 -1  -15 10 o 219.8989 9.814788 1166.553       102.9240 1275.850       179.3630 1112.895       125.6743 228.1213 16.55867 214.2055 12.32380 13.91574       20.64135 
1 1 1 -1  -15 11 o 231.0180 9.892291 1287.846       109.0045 1173.875       192.1667 1341.914       132.3589 217.9300 18.62217 235.3645 11.80025 -17.43445      22.04612 
1 1 1 -1  -15 12 o 235.3646 11.47044 1341.352       128.6826 1453.016       194.5250 1254.463       171.5938 243.2369 16.83156 226.2366 15.96721 17.00021       23.20028 
1 1 1 -1  -15 13 o 301.3401 11.79530 2198.803       169.6034 2110.619       221.1263 2324.807       264.3241 293.7339 15.80448 307.2558 18.07385 -13.52185      24.00928 
1 1 1 -1  -15 14 o 76.01368 16.37080 146.3551       57.73381 159.0674       93.57276 138.5412       73.36234 79.00780 23.23162 73.70108 20.21592 5.306717       30.79597 
1 1 1 -1  -15 15 o 295.4173 11.27585 2111.930       158.9628 2246.560       211.5077 1937.169       240.9791 303.4543 14.62192 280.2266 18.08367 23.22775       23.25553 
1 1 1 -1  -15 16 o 121.5939 13.06818 362.9623       74.77787 373.1496       119.9941 356.4941       95.61426 120.7476 21.57810 119.3516 17.25697 1.395966       27.63001 
1 1 1 -1  -15 17 o 261.6630 12.76263 1668.280       159.1764 1476.913       232.8685 1836.108       218.0776 242.6786 20.25565 272.6757 16.81019 -29.99715      26.32250 
1 1 1 -1  -15 18 o 187.1363 13.10676 857.0786       116.5218 779.4049       200.9591 896.4188       143.0173 173.2467 24.98350 190.3957 15.85548 -17.14902      29.59006 
1 1 1 -1  -15 19 o 200.1397 12.32015 978.2485       117.3134 994.0679       179.5789 966.4715       154.9457 198.8527 19.12485 197.2491 16.58415 1.603668       25.31391 
1 1 1 -1  -15 20 o 170.6500 16.98978 727.9331       136.7729 880.5971       235.6882 650.4168       167.9445 181.5739 28.05359 158.4966 22.82028 23.07727       36.16309 
1 1 1 -1  -15 21 o 91.21545 22.98382 222.2036       100.1729 -260.9232      371.5070 260.0836       104.0259 77.52767 36.84674 98.92645 22.50402 -21.39877      43.17538 
1 1 1 -1  -15 22 o 191.5794 19.07758 939.4791       172.4151 2509.772       518.1509 743.9633       182.8340 288.6681 38.50412 167.5145 23.47279 121.1536       45.09478 
1 1 1 -1  -15 23 o 107.0817 22.60545 309.3311       112.0885 25.00460       400.4533 333.5006       116.7555 89.90242 41.20439 111.2258 22.72508 -21.32339      47.05561 
1 1 1 -1  -15 24 o 204.2087 15.99978 1056.269       154.9593 1374.673       443.9261 1012.089       165.3608 194.1814 48.07598 198.7217 17.58655 -4.540314      51.19167 
1 1 1 -1  -15 25 o 110.1057 21.34613 330.1822       108.3097 848.3716       435.4230 296.0048       111.8245 137.5267 50.50560 102.9643 23.26640 34.56234       55.60703 
1 1 1 -1  -14 1  o 172.9933 7.549006 718.8890       62.28459 709.4581       81.53809 732.1014       96.51009 171.5381 9.985579 173.9954 11.66930 -2.457275      15.35853 
1 1 1 -1  -14 2  o 277.8187 7.074046 1851.185       93.88242 1860.536       124.8110 1839.001       142.4751 278.1664 9.398620 276.2895 10.80699 1.876923       14.32219 
1 1 1 -1  -14 3  o 266.7532 7.883091 1708.274       100.4241 1569.656       144.7167 1837.024       139.4708 254.9844 11.90411 276.1659 10.58301 -21.18150      15.92822 
1 1 1 -1  -14 4  o 136.8361 9.995592 452.4748       64.93988 498.1265       97.75750 416.4176       86.87959 142.7959 14.52122 130.5102 14.15016 12.28566       20.27543 
1 1 1 -1  -14 5  o 93.51580 13.24447 215.2338       57.55952 162.7210       90.29622 251.1779       74.70509 80.19054 22.59225 100.5588 16.08046 -20.36825      27.73068 
1 1 1 -1  -14 6  o 452.1873 10.32816 4918.917       223.2800 4898.894       248.6277 5002.365       507.5769 450.7664 11.54642 449.4223 23.70706 1.344086       26.36938 
1 1 1 -1  -14 7  o 261.1146 10.63275 1643.679       132.4572 1612.505       173.5025 1687.231       205.0773 257.7908 14.13169 263.0501 16.38828 -5.259308      21.63979 
1 1 1 -1  -14 8  o 279.2649 8.654836 1874.693       115.4141 1827.125       185.5134 1904.731       147.4166 274.4107 14.18872 281.0190 10.99363 -6.608276      17.94937 
1 1 1 -1  -14 9  o 92.19879 12.39969 208.7350       53.27246 213.6003       96.13004 206.5785       63.99841 91.35456 22.22520 91.12558 15.22684 0.2289810      26.94097 
1 1 1 -1  -14 10 o 233.8349 17.17514 1338.864       190.6679 1338.864       190.6679 0.000000       0.000000 233.8349 17.17514 ?        ?        0.000000       17.17514 
1 1 1 -1  -14 11 o 210.2315 9.999722 1065.992       100.2184 1169.341       178.1952 1018.179       121.2035 218.3653 17.20781 204.9522 12.42797 13.41312       21.22647 
1 1 1 -1  -14 12 o 308.8382 11.59663 2304.461       170.9224 2263.907       220.4242 2365.618       270.6867 304.9598 15.16607 310.4834 18.31699 -5.523590      23.78071 
1 1 1 -1  -14 13 o 216.0422 11.46311 1129.551       117.9756 985.0059       171.2269 1260.185       162.7789 199.8393 18.11854 227.2428 15.06814 -27.40349      23.56545 
1 1 1 -1  -14 14 o 297.6666 11.23795 2141.717       159.6413 2096.353       203.7707 2213.807       256.8757 293.3912 14.57296 300.0868 17.98729 -6.695587      23.14981 
1 1 1 -1  -14 15 o 179.1507 11.56846 778.5808       98.55405 648.5618       146.3623 886.4346       133.3041 161.2532 19.37254 190.3661 14.76218 -29.11284      24.35605 
1 1 1 -1  -14 16 o 298.0058 11.52722 2149.121       163.9222 2157.459       214.2024 2137.337       254.6515 297.2846 15.12071 294.5406 18.17241 2.744049       23.64049 
1 1 1 -1  -14 17 o 247.7940 12.11663 1489.202       143.1075 1521.009       210.2109 1461.726       195.3719 248.3829 17.82055 243.8598 16.86148 4.523056       24.53327 
1 1 1 -1  -14 18 o 304.9248 13.27017 2261.683       192.9908 2283.758       280.5512 2241.854       265.8984 303.4424 19.44098 301.1168 18.56043 2.325592       26.87827 
1 1 1 -1  -14 19 f 218.0191 12.61204 1158.298       130.8973 1401.888       221.2733 1027.165       162.3515 236.7981 19.72424 203.7439 16.81685 33.05424       25.92011 
1 1 1 -1  -14 20 o 243.4661 11.62206 1441.099       134.8883 1413.861       223.1612 1456.779       169.3198 237.3976 19.84365 243.6180 14.60456 -6.220459      24.63866 
1 1 1 -1  -14 21 o 287.0538 13.67485 2017.565       187.1301 1791.371       276.6819 2208.264       254.0482 265.4969 21.99502 297.8482 17.92367 -32.35126      28.37321 
1 1 1 -1  -14 22 o 139.8540 16.48836 489.6315       108.1289 747.8981       361.9123 464.3179       113.3041 153.9861 45.79446 135.6019 17.91503 18.38419       49.17399 
1 1 1 -1  -14 23 o 81.24377 22.15712 175.1195       88.42060 432.6374       377.8115 160.1975       90.94631 119.1833 46.29136 77.88063 22.90408 41.30264       51.64772 
1 1 1 -1  -14 24 o 211.3263 16.77716 1126.210       168.1139 834.2675       689.8401 1144.643       173.3400 137.6708 58.91340 212.7883 17.18502 -75.11755      61.36867 
1 1 1 -1  -14 25 o 37.90052 17.82634 -76.96185      82.81091 -174.0783      578.5673 -74.93066      83.67242 93.35195 44.80445 38.33962 17.99693 55.01233       48.28383 
1 1 1 -1  -14 26 o 207.0037 16.79325 1094.571       164.7702 652.7769       451.4137 1162.480       176.9812 124.8372 49.93850 212.7363 17.55728 -87.89915      52.93498 
1 1 1 -1  -14 27 o 87.67920 23.73738 218.2724       101.9227 483.5942       268.6170 173.6493       110.1607 115.4898 39.96030 78.27922 25.58212 37.21056       47.44756 
1 1 1 -1  -13 1  o 113.9302 9.496032 313.5441       51.25375 283.5062       69.74786 348.8053       75.56912 107.6194 13.87881 119.6253 13.44589 -12.00593      19.32390 
1 1 1 -1  -13 2  o 454.1024 16.64614 4991.994       360.7780 4873.416       510.5754 5110.240       509.8598 445.6403 24.05357 456.6674 23.43132 -11.02707      33.57977 
1 1 1 -1  -13 3  o 90.53506 10.32777 199.3377       43.90393 192.2467       63.98762 205.6457       60.35092 87.91713 15.80443 91.29230 14.29628 -3.375168      21.31112 
1 1 1 -1  -13 4  f 355.2897 9.624808 3031.894       163.3364 3011.028       187.4252 3097.775       333.0403 353.7878 11.09466 356.4866 19.61654 -2.698822      22.53664 
1 1 1 -1  -13 5  o 90.02867 12.02868 198.4129       50.47912 142.1857       88.98306 225.0942       61.29688 75.78869 22.74738 95.66813 13.80030 -19.87944      26.60623 
1 1 1 -1  -13 6  o 386.9837 10.22687 3600.227       189.0441 3550.315       215.7923 3764.950       392.0233 383.9371 11.77011 392.2273 20.98211 -8.290161      24.05794 
1 1 1 -1  -13 7  f 347.8358 8.011843 2901.549       133.2340 3077.173       203.6175 2770.054       176.1877 357.3112 11.93631 339.2307 10.87762 18.08054       16.14924 
1 1 1 -1  -13 8  o 100.8874 12.71291 249.1632       59.95969 269.1353       131.5749 243.9286       67.36063 102.3138 26.64089 99.43493 14.60454 2.878914       30.38140 
1 1 1 -1  -13 9  o 173.2155 11.32176 725.3736       93.24426 716.3705       156.4881 730.3298       116.1066 170.2498 19.58208 173.2686 14.13896 -3.018753      24.15301 
1 1 1 -1  -13 10 o 438.1593 8.212273 4607.356       172.0298 4591.247       259.6613 4619.959       229.6648 436.1037 12.46680 437.9474 10.97758 -1.843781      16.61109 
1 1 1 -1  -13 11 o 78.98461 14.86147 155.8745       54.06034 196.5892       92.60331 134.8251       66.58424 87.73363 22.09386 72.96976 18.92750 14.76386       29.09276 
1 1 1 -1  -13 12 o 285.0931 12.62083 1965.745       171.5953 1920.228       248.9326 2006.956       236.8619 279.8278 18.71485 286.5988 17.36824 -6.770966      25.53236 
1 1 1 -1  -13 13 o 253.5197 10.89408 1550.894       131.7334 1534.958       175.4051 1571.511       199.5127 251.2608 14.66565 253.6698 16.54126 -2.409042      22.10644 
1 1 1 -1  -13 14 o 281.2517 10.15696 1906.436       136.3495 1908.794       239.5345 1905.305       165.8389 278.9942 18.05523 280.6114 12.39211 -1.617188      21.89876 
1 1 1 -1  -13 15 o 124.2575 15.94735 381.4602       92.55553 321.8117       152.1139 416.5259       116.6299 110.8344 28.53670 128.9524 19.52846 -18.11795      34.57895 
1 1 1 -1  -13 16 o 103.6204 16.12144 267.4673       77.26885 264.3146       104.7397 271.2321       114.4548 101.4556 22.21103 102.4341 23.82278 -0.9784393     32.57076 
1 1 1 -1  -13 17 o 129.1255 16.70494 413.6118       100.7111 222.1214       171.5212 514.3667       124.4163 94.52533 31.95202 143.6624 18.54680 -49.13712      36.94476 
1 1 1 -1  -13 18 o 78.75456 17.71775 157.8044       65.09114 100.3726       111.5948 187.4191       80.13483 69.34299 25.55099 85.52734 19.96315 -16.18436      32.42500 
1 1 1 -1  -13 19 o 336.7461 13.74044 2757.538       220.7488 2972.917       320.6883 2563.577       304.3260 346.7766 19.42064 321.6880 19.88492 25.08856       27.79517 
1 1 1 -1  -13 20 o 417.0631 9.431916 4190.948       188.0659 4316.727       300.3565 4109.836       241.2002 420.5240 14.96341 411.7140 12.26756 8.810059       19.34933 
1 1 1 -1  -13 21 o 79.81644 21.10386 164.8954       81.74623 53.54354       216.1478 183.4806       88.30504 78.48777 33.26048 84.03390 21.79706 -5.546127      39.76646 
1 1 1 -1  -13 22 o 238.4189 12.93681 1387.984       146.9083 1370.245       226.6448 1400.837       192.9245 233.2250 20.53600 237.6837 17.09185 -4.458618      26.71814 
1 1 1 -1  -13 23 o 297.3434 12.71908 2158.308       180.3923 2659.716       452.2039 2063.416       196.7230 315.5501 30.34871 289.9624 14.23424 25.58771       33.52101 
1 1 1 -1  -13 24 o 75.69154 22.84548 148.8640       89.56952 330.2978       380.8446 138.2408       92.15443 113.1691 45.66104 73.49524 23.34285 39.67384       51.28176 
1 1 1 -1  -13 25 o 64.23913 26.09021 63.84389       125.2725 171.5092       245.4801 25.93238       145.6679 89.64816 36.48058 63.15343 27.04969 26.49472       45.41496 
1 1 1 -1  -13 26 f 89.37215 23.33899 217.6028       100.7867 -653.9019      436.6914 266.6370       103.5832 70.35751 34.83305 99.45861 22.33222 -29.10110      41.37716 
1 1 1 -1  -13 27 o 88.92439 24.01773 218.6280       104.4919 720.9962       439.1529 188.4794       107.5817 133.8935 50.41998 82.61468 25.05924 51.27886       56.30400 
1 1 1 -1  -13 28 o 124.4175 28.14540 453.3259       163.4868 909.9048       383.2343 351.7498       180.7600 150.6731 47.57094 105.9847 32.54850 44.68845       57.64026 
1 1 1 -1  -12 1  o 390.4350 14.71475 3672.530       274.1777 3735.322       388.0535 3609.938       387.4388 392.2634 20.76612 385.5095 21.10178 6.753967       29.60603 
1 1 1 -1  -12 2  o 333.7359 9.145038 2671.248       145.7764 2740.204       169.4605 2474.979       285.8963 337.8430 10.50445 319.5182 18.79870 18.32489       21.53450 
1 1 1 -1  -12 3  o 603.2109 9.685138 8723.744       279.3080 6876.953       769.6367 9003.865       299.7430 527.7807 30.63334 612.7137 10.23253 -84.93298      32.29716 
1 1 1 -1  -12 4  o 501.9508 9.917098 6042.459       237.9875 6152.996       609.6276 6022.585       258.4986 501.3589 25.51751 500.9746 10.79280 0.3843079      27.70609 
1 1 1 -1  -12 5  o 187.6782 9.612376 846.8957       85.96146 846.9576       117.2211 846.8236       126.4370 187.2092 13.18121 187.0243 14.24783 0.1848450      19.40992 
1 1 1 -1  -12 6  o 372.5154 7.785672 3324.577       138.6592 3366.103       203.8404 3288.813       189.1680 374.1854 11.40782 369.9865 10.70559 4.198975       15.64442 
1 1 1 -1  -12 7  o 172.2529 9.686826 714.0914       79.45167 720.3345       127.4488 710.1228       101.6133 172.0786 15.66323 171.3896 12.48668 0.6889954      20.03133 
1 1 1 -1  -12 8  o 90.03735 13.98561 199.8660       58.24949 129.8007       87.71312 255.1449       77.90991 73.03245 22.71539 101.4554 16.63862 -28.42292      28.15728 
1 1 1 -1  -12 9  o 164.0460 10.67582 649.2388       83.27409 726.3407       126.2249 589.8190       110.8099 172.7341 15.44764 155.5891 15.08582 17.14507       21.59193 
1 1 1 -1  -12 10 o 242.7117 9.970971 1417.239       115.4545 1538.294       195.8736 1352.788       142.9216 251.5545 16.37580 236.6490 12.67865 14.90553       20.71027 
1 1 1 -1  -12 11 o 108.7001 13.91268 289.7590       70.64644 264.4749       147.1462 297.3329       80.53557 101.6170 28.91261 109.7453 15.80453 -8.128334      32.95030 
1 1 1 -1  -12 12 o 129.3115 12.72992 407.0767       77.68007 431.1386       145.3934 397.4644       91.89529 130.2925 24.23251 127.2220 15.42312 3.070480       28.72433 
1 1 1 -1  -12 13 f 131.1709 12.38578 418.5603       76.75317 380.1897       105.8011 461.1873       111.5149 123.6164 18.46753 136.6401 17.46956 -13.02374      25.42115 
1 1 1 -1  -12 14 o 55.09118 19.22577 66.64878       62.24437 13.41953       79.89970 148.8249       99.27566 48.95354 20.45123 77.58720 24.17165 -28.63366      31.66262 
1 1 1 -1  -12 15 o 74.21829 16.28812 138.9183       56.20532 70.35174       91.11155 181.0405       71.41232 61.12344 22.97682 84.59893 18.19687 -23.47549      29.30973 
1 1 1 -1  -12 16 o 237.3666 10.67596 1359.693       120.8432 1482.575       196.4368 1284.876       153.2784 246.2112 16.78853 229.9411 14.00948 16.27017       21.86596 
1 1 1 -1  -12 17 o 129.4078 14.23437 410.5859       86.61320 378.9827       120.5866 444.2658       124.4855 122.3729 21.38957 133.0892 20.19802 -10.71629      29.41893 
1 1 1 -1  -12 18 o 335.8993 9.576808 2717.702       153.6366 2825.876       243.0850 2645.748       198.2547 340.6810 14.96106 330.5143 12.56948 10.16672       19.54034 
1 1 1 -1  -12 19 o 213.4771 12.11707 1105.460       123.1602 1121.275       187.6918 1093.502       163.2122 212.9290 18.62481 211.0825 16.29922 1.846451       24.74971 
1 1 1 -1  -12 20 o 87.78493 18.00272 195.5844       73.01775 122.8404       126.7106 231.7502       89.34356 75.03427 27.29391 95.18840 20.25498 -20.15413      33.98856 
1 1 1 -1  -12 21 o 53.70607 23.29863 -7.888138      110.7761 -39.26279      209.6812 4.259229       130.4702 70.42843 31.24914 59.52131 25.54884 10.90712       40.36399 
1 1 1 -1  -12 22 o 197.5907 12.81973 951.1752       120.4489 947.7776       190.5496 953.4363       155.4428 194.2988 20.83818 196.5535 16.69970 -2.254715      26.70412 
1 1 1 -1  -12 23 o 127.1560 18.87783 408.7099       111.2835 261.1484       159.5892 548.3698       155.2576 98.95959 30.61718 145.9395 23.01377 -46.97994      38.30203 
1 1 1 -1  -12 24 o 263.6020 14.00137 1703.245       175.8194 1377.437       268.2012 1948.776       232.8267 230.9987 24.66652 280.1156 17.47251 -49.11691      30.22790 
1 1 1 -1  -12 25 o 58.01290 25.08365 3.205763       127.5439 -4.549778      247.6951 6.004071       148.7850 77.09221 34.09697 62.46887 27.05109 14.62334       43.52430 
1 1 1 -1  -12 26 f 72.53873 23.24150 135.1394       91.19772 -107.8206      240.9863 175.7506       98.52526 68.47957 31.59582 81.38152 23.81369 -12.90195      39.56498 
1 1 1 -1  -12 27 o 184.7638 15.05747 853.3914       131.8556 1395.736       288.1308 709.7278       148.2947 226.4348 27.15686 166.2522 18.99801 60.18263       33.14241 
1 1 1 -1  -12 28 o 256.1190 13.29473 1626.490       162.2335 1394.014       263.1392 1769.042       206.0552 227.4774 24.58595 264.7243 16.36096 -37.24690      29.53218 
1 1 1 -1  -12 29 o 115.1831 18.98729 350.1595       100.9186 532.0300       183.9374 271.8340       120.7092 134.6300 29.40262 97.71281 25.55384 36.91717       38.95527 
1 1 1 -1  -12 30 o 75.76427 24.08032 161.8001       98.05484 71.58083       182.7102 198.2956       116.2072 69.62569 30.06322 82.57796 26.21096 -12.95227      39.88498 
1 1 1 -1  -11 1  o 303.8121 17.62772 2230.532       254.9415 0.000000       0.000000 2230.532       254.9415 ?        ?        303.8121 17.62772 0.000000       17.62772 
1 1 1 -1  -11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -11 3  o 96.07658 17.68319 229.2895       78.23231 229.2895       78.23231 0.000000       0.000000 96.07658 17.68319 ?        ?        0.000000       17.68319 
1 1 1 -1  -11 4  o 337.8506 9.135626 2736.372       147.4255 2631.019       299.3420 2770.109       169.3936 329.6830 19.07308 339.7800 10.44014 -10.09702      21.74348 
1 1 1 -1  -11 5  o 479.1989 7.664989 5497.762       175.6045 5310.767       251.0519 5676.896       245.7185 470.5695 11.15916 486.6032 10.56220 -16.03375      15.36512 
1 1 1 -1  -11 6  o 388.0430 9.400108 3608.262       174.3898 3425.694       381.4537 3656.502       196.0805 375.6228 21.32897 390.3685 10.51591 -14.74570      23.78044 
1 1 1 -1  -11 7  o 535.1633 9.946784 6866.164       254.4939 6364.448       668.0953 6951.321       275.2457 509.6459 27.52172 538.3499 10.69418 -28.70395      29.52644 
1 1 1 -1  -11 8  o 319.9475 8.509135 2454.375       130.0430 2438.765       196.9230 2466.447       173.1744 318.2969 12.96779 320.3644 11.32439 -2.067505      17.21643 
1 1 1 -1  -11 9  o 463.5703 10.68865 5157.402       236.8899 5162.555       265.5543 5137.324       524.1849 463.4112 11.99620 458.4273 24.00054 4.983887       26.83160 
1 1 1 -1  -11 10 o 406.8718 10.62506 3976.750       206.5025 4015.545       238.8212 3861.802       411.0869 408.5259 12.24152 397.8640 21.69386 10.66190       24.90940 
1 1 1 -1  -11 11 o 372.2704 11.06973 3332.306       196.7983 3258.328       232.0032 3522.102       371.6083 367.6519 13.22076 380.0620 20.52756 -12.41000      24.41658 
1 1 1 -1  -11 12 f 323.4892 9.789497 2514.448       151.2267 2358.250       284.4827 2575.973       178.5429 310.9719 19.22897 327.1212 11.43388 -16.14929      22.37156 
1 1 1 -1  -11 13 o 223.2234 10.95519 1200.956       116.5573 1435.355       169.3331 989.8992       160.6810 243.3457 14.62237 201.4292 16.83923 41.91647       22.30187 
1 1 1 -1  -11 14 o 68.75365 18.06219 119.1222       60.12891 106.7890       129.1814 122.5333       67.93702 73.61121 27.42262 69.88136 19.56408 3.729851       33.68609 
1 1 1 -1  -11 15 o 390.0631 15.04687 3689.560       280.0750 3697.748       398.7524 3681.588       393.4720 387.5920 21.60439 386.8685 21.35652 0.7234802      30.37846 
1 1 1 -1  -11 16 o 215.8366 11.73274 1126.025       120.6138 952.3337       176.4419 1278.389       165.2545 196.6217 19.00658 229.1980 15.16644 -32.57626      24.31606 
1 1 1 -1  -11 17 o 102.8416 14.36857 260.8215       68.72087 195.0630       110.7866 301.9475       87.61336 87.50937 25.14846 110.1377 17.20103 -22.62835      30.46835 
1 1 1 -1  -11 18 o 70.92185 20.21543 126.6890       71.87090 96.46325       175.7534 132.7584       78.75697 78.64444 31.25924 72.70522 21.29555 5.939224       37.82380 
1 1 1 -1  -11 19 o 192.0240 12.28724 894.3039       112.2105 950.8106       167.8583 848.6525       150.8759 196.4223 18.07754 185.7584 17.18353 10.66388       24.94135 
1 1 1 -1  -11 20 o 59.61284 19.99975 82.95467       67.20398 -25.91191      117.6671 135.6585       81.87072 53.47763 23.58330 73.38594 21.77006 -19.90831      32.09529 
1 1 1 -1  -11 21 o 289.7342 12.92529 2037.667       178.5886 2041.551       255.5942 2033.963       249.6361 287.6497 18.68683 287.3099 18.26853 0.3398438      26.13306 
1 1 1 -1  -11 22 o 75.69440 23.99195 142.5846       97.39384 190.7716       132.5701 86.08020       143.5563 87.01221 28.03547 71.99325 28.36590 15.01896       39.88248 
1 1 1 -1  -11 23 o 305.1642 14.08646 2269.164       204.9608 2161.972       305.9456 2356.443       276.0681 293.9214 21.93039 308.7336 18.79256 -14.81223      28.88083 
1 1 1 -1  -11 24 o 93.80700 24.98295 231.3146       114.0376 126.6633       164.9203 327.1954       157.8584 79.68476 30.68258 110.3269 29.39869 -30.64211      42.49357 
1 1 1 -1  -11 25 o 79.10960 22.24060 162.5968       87.60361 42.64167       164.2964 210.2487       103.5520 69.31034 29.16498 89.38850 23.80691 -20.07816      37.64791 
1 1 1 -1  -11 26 o 103.7338 21.18666 279.8945       101.5171 269.7681       257.2808 281.7618       110.4812 102.8744 38.62349 103.4787 22.93502 -0.6043625     44.91981 
1 1 1 -1  -11 27 o 129.6649 20.99902 434.8513       125.7274 331.2930       179.5161 534.5540       176.1426 108.5712 32.24360 140.8107 27.14908 -32.23950      42.15118 
1 1 1 -1  -11 28 o 123.2977 22.02761 401.9417       125.0812 402.2703       177.0998 401.6146       176.6839 118.3530 30.95283 118.2813 30.90786 0.7176208E-01  43.74212 
1 1 1 -1  -11 29 o 80.85660 23.19302 177.8022       94.31234 34.85142       177.3588 234.1606       111.3625 68.04541 29.50004 91.97083 24.77504 -23.92542      38.52343 
1 1 1 -1  -11 30 o 53.90198 22.24008 38.67929       92.84316 -397.8347      186.8786 181.7269       106.9795 44.58007 22.19172 80.83363 25.07744 -36.25356      33.48657 
1 1 1 -1  -11 31 o 69.66531 24.59487 129.7792       102.0631 -110.6699      206.2430 207.7612       117.4532 59.59913 28.06330 84.46068 26.28825 -24.86155      38.45284 
1 1 1 -1  -10 1  f 401.4351 9.095143 3859.243       174.5554 3884.494       194.1640 3752.826       398.5941 402.5352 10.09716 393.7070 21.25507 8.828278       23.53148 
1 1 1 -1  -10 2  o 684.1450 10.30934 11214.97       337.1997 11322.10       356.8702 10322.83       1029.883 687.3158 10.86040 648.4008 33.33467 38.91498       35.05921 
1 1 1 -1  -10 3  o 304.7856 7.120910 2223.106       103.7620 2351.473       149.3812 2103.428       144.2372 313.1315 9.991185 296.1171 10.20363 17.01440       14.28068 
1 1 1 -1  -10 4  o 437.9866 16.10963 4618.719       336.7551 4451.227       476.6113 4785.695       475.8766 428.2655 23.36637 444.3548 22.47339 -16.08923      32.41975 
1 1 1 -1  -10 5  o 448.7612 9.626842 4824.289       206.5416 4875.153       496.0203 4813.620       227.1728 448.2516 23.22484 448.1633 10.60258 0.8828735E-01  25.53053 
1 1 1 -1  -10 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -10 7  o 509.1128 18.22222 6253.772       442.8154 6233.923       627.2924 6273.488       625.1840 505.8839 26.02393 507.5537 25.84937 -1.669861      36.68017 
1 1 1 -1  -10 8  o 144.7926 10.88565 505.4697       74.80273 472.1839       112.5524 531.8035       100.1112 138.9715 17.31481 148.0910 14.31825 -9.119568      22.46809 
1 1 1 -1  -10 9  o 480.2242 10.19902 5528.060       234.1589 5745.233       569.7933 5483.930       256.8501 485.7341 24.61663 478.1619 11.23560 7.572174       27.05951 
1 1 1 -1  -10 10 o 116.1315 15.62433 330.3684       84.54918 292.4577       140.5410 351.8714       105.8454 107.4175 27.31042 119.2328 19.22156 -11.81529      33.39651 
1 1 1 -1  -10 11 o 219.8090 10.94985 1162.252       114.7077 1172.243       162.8932 1152.424       161.5574 220.0523 15.58430 218.1738 15.59151 1.878540       22.04463 
1 1 1 -1  -10 12 o 444.6901 16.31310 4778.229       346.2308 4954.269       491.2982 4604.541       488.0069 450.5077 22.88546 433.9857 23.60917 16.52194       32.88065 
1 1 1 -1  -10 13 o 163.5573 11.22398 645.6178       87.23371 677.6323       124.2369 614.4844       122.5154 166.8314 15.76321 158.6770 16.38523 8.154434       22.73663 
1 1 1 -1  -10 14 o 57.86843 21.58388 62.88691       80.07498 173.9717       127.3160 -9.813927      102.9972 84.92029 27.48403 52.12012 22.53838 32.80017       35.54364 
1 1 1 -1  -10 15 o 55.44159 17.70313 73.13921       52.94640 -39.32833      84.26055 146.5202       68.06164 43.26770 19.45882 76.15742 18.80645 -32.88972      27.06156 
1 1 1 -1  -10 16 o 355.8645 10.33175 3047.077       175.5928 3037.847       343.7430 3050.336       204.2527 351.9829 20.51590 355.6440 12.03011 -3.661133      23.78289 
1 1 1 -1  -10 17 o 133.2246 14.25394 433.9750       89.37852 504.3719       123.5610 356.7141       129.4448 142.7198 18.54704 118.3021 23.71326 24.41770       30.10501 
1 1 1 -1  -10 18 o 387.1743 10.67635 3610.899       197.4345 3947.424       406.4664 3506.982       225.8700 400.3510 21.31293 381.0461 12.41517 19.30490       24.66531 
1 1 1 -1  -10 19 o 185.2987 12.12589 831.9262       106.8321 803.8932       162.6727 853.1859       141.6635 180.3372 19.16073 186.7431 16.02208 -6.405899      24.97680 
1 1 1 -1  -10 20 f 160.2133 14.04774 626.3990       106.5126 699.9255       208.2684 600.3569       123.9482 165.0990 27.34197 156.1138 16.87487 8.985245       32.13012 
1 1 1 -1  -10 21 o 351.7817 12.28095 2994.511       206.2276 3225.198       271.7383 2681.177       316.6964 363.7285 15.66334 329.4326 20.20517 34.29590       25.56539 
1 1 1 -1  -10 22 o 146.1906 13.91127 523.1754       96.05822 767.9968       164.1127 395.5895       118.4729 175.4841 19.91286 125.0999 20.51937 50.38425       28.59312 
1 1 1 -1  -10 23 o 33.70503 16.06106 -90.44083      71.52760 24.07242       142.6275 -128.9182      82.67576 64.21262 27.10520 34.30244 16.58183 29.91018       31.77498 
1 1 1 -1  -10 24 o 253.5530 12.76189 1562.039       154.2033 1450.043       247.5704 1633.032       197.1082 240.5917 21.75829 258.0657 16.05545 -17.47400      27.04073 
1 1 1 -1  -10 25 f 95.21307 20.75755 233.5853       91.81757 43.99554       166.3661 316.6275       110.1049 70.30376 29.45049 110.9812 21.52840 -40.67742      36.48018 
1 1 1 -1  -10 26 o 129.8606 21.09567 432.0228       126.4815 288.3617       178.8415 575.7815       178.9022 103.2876 32.48190 147.9203 26.25941 -44.63273      41.76877 
1 1 1 -1  -10 27 o 94.94958 27.50030 242.0186       131.9951 190.6179       168.0851 324.7101       213.1939 87.81000 31.50326 108.1945 35.60147 -20.38453      47.53862 
1 1 1 -1  -10 28 o 99.70636 24.83736 266.5109       117.9529 85.99100       176.0426 413.5735       158.8936 75.01504 30.75303 123.3579 27.62984 -48.34289      41.34195 
1 1 1 -1  -10 29 o 36.47337 17.97614 -222.1078      111.7687 -319.9284      170.2771 -148.0565      148.1520 45.07209 22.20904 49.17604 23.34215 -4.103951      32.21952 
1 1 1 -1  -10 30 o 111.1829 25.18348 342.0358       130.7470 404.1474       205.0339 299.4692       169.7358 115.0271 34.53067 101.0057 31.62717 14.02139       46.82569 
1 1 1 -1  -10 31 o 105.3659 26.82537 317.8275       135.4638 334.0116       217.0996 307.5089       173.3497 103.1048 35.91057 100.8739 32.01250 2.230850       48.10789 
1 1 1 -1  -10 32 o 48.18533 23.39917 -215.0786      169.5184 -458.6012      212.6246 209.7443       280.8328 46.32987 23.15732 88.25196 37.67278 -41.92209      44.22104 
1 1 1 -1  -9  1  o 339.3032 8.765587 2758.526       142.0736 2769.115       302.6144 2755.532       160.9098 338.5345 18.77076 339.0050 9.938876 -0.4705200     21.23965 
1 1 1 -1  -9  2  o 736.8784 8.047755 12997.98       283.5169 12807.19       401.7447 13187.27       400.1668 730.9204 11.49666 741.7253 11.28469 -10.80487      16.10954 
1 1 1 -1  -9  3  o 61.61433 10.53302 93.50812       29.91327 53.44168       48.38504 118.2965       38.05788 49.40161 16.96527 69.26989 11.92186 -19.86828      20.73526 
1 1 1 -1  -9  4  o 175.4860 8.585374 739.0446       71.81083 700.5823       92.03257 798.9088       114.8174 170.5892 11.34902 181.9965 13.28737 -11.40733      17.47440 
1 1 1 -1  -9  5  o 222.0022 8.510555 1181.664       90.16097 1208.215       111.6926 1132.006       152.7516 224.3183 10.44348 216.6074 14.84007 7.710983       18.14646 
1 1 1 -1  -9  6  o 156.5314 9.092028 588.7172       67.74814 660.0878       98.14566 523.7571       93.63416 165.4287 12.50197 147.1284 13.46055 18.30035       18.37078 
1 1 1 -1  -9  7  o 410.7291 7.837894 4038.078       153.9087 3959.349       223.2654 4109.369       212.4563 406.2280 11.50750 413.9556 10.74422 -7.727661      15.74360 
1 1 1 -1  -9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -9  9  f 188.8306 10.57763 857.2336       95.11078 923.4947       148.9141 811.5800       123.6073 195.3162 16.08994 183.2854 14.21722 12.03076       21.47127 
1 1 1 -1  -9  10 o 587.1031 10.79387 8262.980       302.9701 8336.945       328.5775 7843.172       782.8022 589.5864 11.65687 566.3387 29.00793 23.24768       31.26248 
1 1 1 -1  -9  11 o 592.5788 8.147353 8408.376       230.8187 8389.912       330.8077 8425.893       322.2157 591.3922 11.70016 592.7167 11.37080 -1.324524      16.31530 
1 1 1 -1  -9  12 o 619.0811 11.08246 9193.063       328.0137 9174.767       352.2391 9312.514       900.0334 618.2999 11.91599 615.4153 30.68699 2.884583       32.91932 
1 1 1 -1  -9  13 o 138.0161 11.27567 460.1667       73.75340 533.4976       108.1476 396.4093       100.8414 148.0432 15.50983 127.1005 17.02285 20.94276       23.02894 
1 1 1 -1  -9  14 o 393.2262 10.28416 3712.678       193.1732 3781.149       402.3807 3692.171       220.2089 393.9518 21.44502 391.8703 11.76729 2.081482       24.46135 
1 1 1 -1  -9  15 o 114.2491 17.91959 323.3025       94.66225 355.2519       151.8383 302.9890       121.0716 117.8899 27.45376 109.3255 23.83751 8.564461       36.35843 
1 1 1 -1  -9  16 o 150.7867 13.02188 551.5837       92.95494 598.8893       129.5849 501.4404       133.4150 156.2519 17.65576 142.2142 20.18913 14.03767       26.82027 
1 1 1 -1  -9  17 o 153.1086 13.41209 569.6226       97.18540 591.9337       179.7348 560.4042       115.5311 153.0501 25.45739 151.2868 16.22635 1.763306       30.18896 
1 1 1 -1  -9  18 o 142.3273 12.57423 492.1826       84.68227 603.6328       132.1215 414.4754       110.3224 156.5380 17.98017 129.2571 18.36916 27.28087       25.70433 
1 1 1 -1  -9  19 o 202.0978 13.10063 990.3437       125.8971 1050.771       207.2269 954.9922       158.5018 205.8607 21.36579 197.5011 16.95011 8.359604       27.27276 
1 1 1 -1  -9  20 o 415.3225 15.69764 4192.625       311.1329 4510.885       446.0662 3891.085       434.1908 427.5215 21.89687 396.3365 23.01337 31.18503       31.76615 
1 1 1 -1  -9  21 o 108.3511 16.70842 292.1569       83.77292 377.5110       143.0972 247.6505       103.3308 120.9668 25.54574 98.27100 22.48223 22.69581       34.02993 
1 1 1 -1  -9  22 o 256.5786 13.03506 1596.791       159.3736 1653.046       240.6582 1552.847       212.6992 258.7508 19.59984 251.4455 17.80873 7.305344       26.48215 
1 1 1 -1  -9  23 o 253.0609 12.66248 1553.806       152.7110 1438.056       238.9084 1633.771       198.5742 240.3289 21.00386 258.3238 16.15961 -17.99490      26.50085 
1 1 1 -1  -9  24 o 119.0939 17.42746 354.3570       96.29082 650.2416       166.9174 206.7781       117.8834 160.2589 22.39646 89.41177 26.01580 70.84711       34.32817 
1 1 1 -1  -9  25 o 118.2911 26.81371 367.5294       148.1281 347.0751       256.3722 377.7797       181.4875 114.6646 39.06043 118.6314 31.48146 -3.966759      50.16771 
1 1 1 -1  -9  26 o 95.51430 29.64499 238.4668       149.4799 -36.38007      260.7888 372.9468       182.4200 78.12173 34.74552 117.3852 31.74673 -39.26351      47.06491 
1 1 1 -1  -9  27 o 99.31757 23.91609 259.8560       112.1951 329.8393       277.8957 246.2273       122.6340 111.2745 40.42859 96.26065 26.02795 15.01380       48.08248 
1 1 1 -1  -9  28 o 53.55250 24.30676 -59.21131      135.0715 -106.1544      295.1980 -46.78064      151.9061 77.02567 35.33041 58.18339 26.15031 18.84228       43.95539 
1 1 1 -1  -9  29 o 94.78157 26.85053 242.8207       127.1833 496.4979       196.8594 61.07867       166.6261 133.3343 31.40353 70.97196 29.58293 62.36231       43.14315 
1 1 1 -1  -9  30 o 152.2101 20.22370 599.0446       143.5293 1114.068       225.2591 247.0382       186.2277 205.9301 23.28807 94.63029 33.23811 111.2998       40.58455 
1 1 1 -1  -9  31 o 74.48370 30.26084 108.7600       168.5887 68.74304       211.1807 179.0758       279.9361 75.23557 32.40185 90.39990 38.05611 -15.16434      49.98147 
1 1 1 -1  -9  32 o 69.18938 29.32559 68.32730       168.0827 15.84431       207.5606 168.3125       286.4860 69.49448 30.94752 88.23159 37.86539 -18.73711      48.90334 
1 1 1 -1  -9  33 o 42.83887 21.19044 -296.7755      160.3314 -556.4973      191.6289 309.3215       292.7372 40.28288 20.37136 96.19872 39.57087 -55.91584      44.50669 
1 1 1 -1  -8  1  o 264.3388 8.305053 1675.616       104.8268 1693.576       123.3839 1629.012       198.7505 265.5972 9.733340 259.4988 16.09936 6.098358       18.81296 
1 1 1 -1  -8  2  o 134.5465 8.634850 435.4605       55.25058 460.0664       78.50737 411.3147       77.77007 137.9198 12.02643 130.2636 12.64662 7.656174       17.45199 
1 1 1 -1  -8  3  o 212.3182 7.060074 1080.231       71.56498 1106.954       102.7426 1055.046       99.74050 214.6663 10.03882 209.5673 9.983672 5.099030       14.15809 
1 1 1 -1  -8  4  o 334.6723 8.506446 2683.966       135.9954 2267.527       281.1488 2811.165       155.3831 305.9829 19.31760 342.4141 9.500875 -36.43124      21.52757 
1 1 1 -1  -8  5  o 378.5210 8.970669 3431.276       162.3391 3348.163       362.6227 3452.108       181.5480 371.9298 20.47218 379.4513 10.01629 -7.521545      22.79114 
1 1 1 -1  -8  6  o 381.7635 14.34895 3504.173       261.4262 3590.785       370.4160 3418.216       369.0130 385.3817 20.17463 375.8879 20.61296 9.493713       28.84285 
1 1 1 -1  -8  7  o 390.4029 20.87069 3686.808       388.1298 0.000000       0.000000 3686.808       388.1298 ?        ?        390.4029 20.87069 0.000000       20.87069 
1 1 1 -1  -8  8  f 295.4364 7.511732 2090.261       106.0133 2120.500       154.9829 2063.670       145.3327 297.2664 10.92367 293.3056 10.38054 3.960846       15.06925 
1 1 1 -1  -8  9  o 553.2197 19.62967 7385.519       518.3584 7143.317       734.0254 7626.462       732.1174 541.2567 28.46616 559.6908 27.44419 -18.43408      39.54119 
1 1 1 -1  -8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -8  11 o 629.8972 10.52769 9508.652       317.0377 8693.037       889.1122 9627.463       339.3443 595.6111 31.33400 633.7144 11.20053 -38.10321      33.27568 
1 1 1 -1  -8  12 o 537.9026 19.24978 6987.108       494.2390 6492.379       699.6721 7479.828       698.2490 515.3704 28.50768 554.1208 26.43331 -38.75037      38.87683 
1 1 1 -1  -8  13 o 90.36783 14.14321 200.8590       59.10173 174.3299       86.80226 223.7871       80.69628 83.35348 21.60587 94.74931 18.47825 -11.39584      28.42990 
1 1 1 -1  -8  14 o 40.27919 18.61962 -68.65573      84.26656 -130.8104      133.7533 -27.74856      108.5094 48.93092 22.89963 51.66750 22.72117 -2.736576      32.25903 
1 1 1 -1  -8  15 o 295.3366 10.64684 2095.415       150.0843 2185.226       260.9977 2051.045       183.4492 300.1843 18.27269 291.8022 13.18384 8.382080       22.53230 
1 1 1 -1  -8  16 o 324.6577 13.37251 2540.542       207.1173 2689.946       297.2792 2399.613       288.7243 332.7760 18.76146 314.0932 19.32072 18.68283       26.93107 
1 1 1 -1  -8  17 o 292.2712 12.88792 2060.124       179.6421 2110.540       259.2826 2013.580       249.1262 294.4699 18.51087 287.6846 18.20656 6.785248       25.96404 
1 1 1 -1  -8  18 o 245.3612 12.24952 1452.917       143.2378 1544.481       212.3872 1376.524       193.9972 251.7020 17.76363 237.7054 17.18662 13.99666       24.71693 
1 1 1 -1  -8  19 o 256.1840 11.73982 1583.717       143.4055 1741.251       226.8446 1478.850       185.0809 267.0426 17.87091 246.5965 15.78163 20.44611       23.84175 
1 1 1 -1  -8  20 o 170.4419 12.98341 705.2797       105.0010 748.7686       165.2416 675.8273       135.9850 173.8008 20.26641 165.8028 17.41463 7.997955       26.72072 
1 1 1 -1  -8  21 o 156.8652 18.37130 608.2131       135.1694 458.3816       232.8686 684.3466       165.9959 131.0243 36.04843 165.5744 21.47531 -34.55009      41.96043 
1 1 1 -1  -8  22 o 167.1882 15.42273 684.2137       121.8864 451.1674       241.3174 764.0290       141.2246 129.5856 37.07686 176.3311 16.96123 -46.74542      40.77226 
1 1 1 -1  -8  23 o 37.61578 17.40724 -59.11799      73.94403 -217.3896      127.3854 21.31318       90.80930 41.36483 20.13190 52.85102 21.91830 -11.48619      29.76080 
1 1 1 -1  -8  24 o 180.0529 15.19506 794.2335       129.5812 728.4222       182.6653 860.9020       183.8513 169.6949 23.11573 185.5010 21.10549 -15.80603      31.30141 
1 1 1 -1  -8  25 o 38.22626 17.80161 -69.22151      79.22137 -148.0120      140.9335 -32.82495      95.78715 48.69995 23.01236 47.00165 20.97123 1.698299       31.13457 
1 1 1 -1  -8  26 o 234.5747 13.43242 1340.054       150.0114 1433.590       230.5343 1271.363       197.5591 239.8857 20.29138 226.6438 18.39031 13.24191       27.38510 
1 1 1 -1  -8  27 o 61.36824 23.10838 73.37762       92.24439 226.4496       174.5538 14.06551       108.6559 94.63183 32.23055 55.73808 23.59923 38.89375       39.94661 
1 1 1 -1  -8  28 o 112.8291 20.63645 327.3685       107.2169 304.1151       198.5123 336.9454       127.3966 105.7821 34.32542 113.1637 24.27506 -7.381516      42.04180 
1 1 1 -1  -8  29 o 120.0418 26.53031 386.7115       148.2014 -540.0734      336.4374 609.8438       165.0806 64.62699 31.71986 153.2668 23.25834 -88.63979      39.33319 
1 1 1 -1  -8  30 o 59.46049 26.02856 -6.332813      140.9335 191.8828       334.4300 -49.13515      155.4068 99.58739 41.73900 58.37878 26.32550 41.20862       49.34750 
1 1 1 -1  -8  31 o 84.05170 27.61477 190.2849       128.2881 717.2241       209.0396 -128.0837      162.4851 161.2665 28.13567 53.30826 25.04098 107.9582       37.66519 
1 1 1 -1  -8  32 o 226.1950 14.49800 1279.476       155.9577 1280.981       250.7399 1278.527       199.1732 217.7819 24.50695 222.7587 18.87964 -4.976776      30.93592 
1 1 1 -1  -8  33 o 91.66734 27.57603 243.6982       130.6600 269.1232       199.0769 224.4577       173.1801 94.27102 34.22299 88.09396 31.92822 6.177055       46.80411 
1 1 1 -1  -8  34 o 73.90324 27.91523 147.1512       134.8481 24.85108       211.0488 231.5256       175.2971 68.45759 30.79107 86.78484 32.01578 -18.32725      44.41959 
1 1 1 -1  -7  1  o 99.46020 7.232950 238.3190       34.15820 226.4006       48.93987 249.6403       47.69805 96.45283 10.79815 101.4656 9.960954 -5.012794      14.69084 
1 1 1 -1  -7  2  o 271.1496 8.211547 1764.600       106.3265 1814.839       124.8419 1631.903       202.8952 274.7977 9.516883 259.1553 16.46091 15.64243       19.01401 
1 1 1 -1  -7  3  o 404.3091 15.07140 3951.167       290.8135 3994.543       411.4526 3907.868       411.0925 404.2910 21.36297 399.7764 21.58879 4.514587       30.37190 
1 1 1 -1  -7  4  o 274.3768 11.41733 1811.817       149.4412 1945.272       211.7907 1679.489       210.8957 283.4875 15.68777 263.0876 16.85582 20.39999       23.02661 
1 1 1 -1  -7  5  o 104.6721 8.474824 264.2487       42.04776 291.4891       61.29873 240.0412       57.78566 109.5285 11.89709 99.18124 12.46095 10.34724       17.22835 
1 1 1 -1  -7  6  o 55.73498 10.87296 77.06680       27.93165 87.57962       54.19114 73.26347       32.59492 59.82483 17.70269 54.15359 12.79435 5.671242       21.84217 
1 1 1 -1  -7  7  o 250.3563 8.580637 1502.832       102.5520 1548.075       191.0929 1484.531       121.5361 253.1896 15.86643 248.6649 10.24504 4.524643       18.88662 
1 1 1 -1  -7  8  o 305.7992 8.831869 2241.157       128.9859 2243.282       256.9796 2240.442       149.1325 304.7623 17.71351 305.6168 10.22111 -0.8544312     20.45091 
1 1 1 -1  -7  9  o 312.8526 7.465041 2342.438       111.6556 2369.669       162.3224 2317.982       153.8293 314.2781 10.81943 310.8744 10.36462 3.403717       14.98283 
1 1 1 -1  -7  10 o 340.8714 13.19421 2791.779       214.6157 2977.340       304.8922 2609.538       302.1512 351.2388 18.21891 328.5669 19.32026 22.67184       26.55563 
1 1 1 -1  -7  11 o 330.5285 13.22086 2625.466       208.4970 2764.325       295.8214 2488.398       293.9066 338.3529 18.35611 320.8063 19.25133 17.54660       26.60001 
1 1 1 -1  -7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -7  13 o 345.6037 10.27537 2864.711       169.5905 2823.284       321.6156 2880.666       199.5947 341.5602 19.77987 346.3474 12.07239 -4.787201      23.17296 
1 1 1 -1  -7  14 o 362.5112 8.958214 3147.639       155.2570 3278.371       228.4998 3035.524       211.6054 369.3377 12.96067 355.4496 12.47136 13.88815       17.98649 
1 1 1 -1  -7  15 o 292.9158 10.97656 2060.510       153.4434 2216.512       260.6155 1977.738       189.8352 302.6475 18.09432 286.5607 13.89788 16.08676       22.81569 
1 1 1 -1  -7  16 o 381.9502 11.11739 3503.450       202.7942 3712.573       246.7787 3068.528       355.8880 392.8354 13.15837 355.2830 21.04655 37.55237       24.82136 
1 1 1 -1  -7  17 o 314.1165 13.40314 2377.976       200.8196 2393.545       289.0878 2363.456       279.1752 313.7673 19.36579 311.9302 18.80759 1.837128       26.99554 
1 1 1 -1  -7  18 f 108.6893 22.90603 298.7752       115.2671 351.4439       192.5917 269.3787       143.8826 116.9825 33.00751 102.8539 28.35064 14.12865       43.51154 
1 1 1 -1  -7  19 o 202.2427 12.00365 987.6763       115.5411 1305.891       178.5152 758.2725       151.5708 231.7729 16.21256 175.8380 18.29724 55.93495       24.44660 
1 1 1 -1  -7  20 o 259.0273 11.87150 1619.158       146.6234 1565.806       234.6819 1653.318       187.7850 252.6698 19.58024 260.9931 15.11420 -8.323303      24.73509 
1 1 1 -1  -7  21 o 114.9271 16.33064 326.7652       87.20639 363.7274       146.2970 306.3927       108.6120 118.7584 26.44596 109.9760 21.42774 8.782410       34.03728 
1 1 1 -1  -7  22 o 72.24047 24.30897 122.6244       99.27908 198.6607       129.7850 15.37493       154.1387 88.92334 27.62694 65.99546 28.03186 22.92788       39.35776 
1 1 1 -1  -7  23 o 320.0748 13.84213 2484.850       211.3172 2651.336       308.2849 2337.298       290.2273 328.2325 19.73664 308.0803 19.80950 20.15216       27.96339 
1 1 1 -1  -7  24 o 149.7889 14.62982 549.5008       103.4336 458.5484       164.3824 609.1130       133.0810 133.0193 26.77603 156.8347 18.07911 -23.81531      32.30805 
1 1 1 -1  -7  25 o 124.6435 16.65992 385.7737       96.79373 618.4774       159.7901 250.8921       121.6535 156.5461 21.95256 98.12194 25.65006 58.42420       33.76152 
1 1 1 -1  -7  26 o 118.3382 23.42892 361.2412       127.8598 455.3622       179.5920 264.4988       182.0758 130.9771 29.40290 101.0348 32.88023 29.94228       44.10941 
1 1 1 -1  -7  27 o 318.2285 13.01210 2460.832       197.5503 3045.383       341.1062 2165.816       242.3265 349.9846 20.47544 296.7202 17.15541 53.26440       26.71239 
1 1 1 -1  -7  28 o 141.1517 22.20522 509.1552       144.9037 297.0522       209.1448 704.9630       200.9503 105.9416 35.27695 164.5992 26.43040 -58.65751      44.07980 
1 1 1 -1  -7  29 o 112.4187 26.95385 338.9310       142.9885 414.9313       204.3854 266.0736       200.1149 121.7663 33.87645 100.3265 34.50032 21.43979       48.35169 
1 1 1 -1  -7  30 o 60.42872 24.99703 40.29438       117.6957 -38.16086      172.4414 108.7154       161.0368 62.68973 28.04268 75.91950 30.00279 -13.22977      41.06774 
1 1 1 -1  -7  31 o 140.8833 23.92187 523.6583       155.3687 398.1509       315.8420 563.7245       178.4532 116.2145 42.95643 144.6547 26.79016 -28.44023      50.62576 
1 1 1 -1  -7  32 o 86.57059 29.96162 203.2392       151.0143 -355.4421      318.6685 365.0402       171.4935 66.43653 32.21999 112.2206 30.95901 -45.78412      44.68319 
1 1 1 -1  -7  33 f 77.32919 27.63618 157.5859       129.2200 203.0042       194.8290 121.9147       172.6619 87.02930 33.39047 75.93069 30.70587 11.09860       45.36269 
1 1 1 -1  -7  34 o 92.61176 28.09185 253.1116       135.1954 -17.42319      202.0169 472.5576       181.9449 65.52807 29.73594 124.7513 30.71442 -59.22322      42.75045 
1 1 1 -1  -7  35 f 91.53429 28.95901 260.3068       141.9532 429.3800       224.8436 148.2507       183.0463 109.5973 36.57894 76.29239 31.32681 33.30487       48.16002 
1 1 1 -1  -6  1  o 237.4364 8.076253 1353.391       91.54462 1363.007       108.8564 1330.162       169.1866 238.0736 9.583471 234.1252 15.19716 3.948318       17.96654 
1 1 1 -1  -6  2  f 89.73714 7.892941 194.5606       33.51784 205.4934       49.69346 185.4355       45.39977 91.70258 11.59333 87.11473 11.15642 4.587852       16.08947 
1 1 1 -1  -6  3  o 189.6758 7.900053 864.1992       71.48228 844.8434       122.9107 874.0922       87.87115 186.5905 13.87754 190.5302 9.678300 -3.939728      16.91909 
1 1 1 -1  -6  4  f 193.9985 9.623793 906.0901       88.98055 975.1202       126.2942 838.0495       125.3857 200.6521 13.23929 185.7556 14.22708 14.89656       19.43421 
1 1 1 -1  -6  5  o 283.5432 8.605057 1930.557       116.5141 2081.444       229.7139 1878.294       135.1953 292.6975 16.48231 279.4297 10.13680 13.26785       19.34997 
1 1 1 -1  -6  6  o 238.9414 7.235016 1369.180       82.55412 1387.548       119.7543 1352.546       113.9594 240.1224 10.45665 237.1256 10.07522 2.996811       14.52073 
1 1 1 -1  -6  7  f 117.5855 9.259129 333.6194       51.63168 286.3021       74.40972 377.5557       71.70197 108.0129 14.79803 124.7422 12.17780 -16.72938      19.16457 
1 1 1 -1  -6  8  o 255.3014 11.18498 1567.129       136.1889 1594.756       193.6223 1540.078       191.5940 256.8052 15.84762 252.3263 15.96406 4.478897       22.49440 
1 1 1 -1  -6  9  o 349.3255 13.64608 2935.499       227.4628 2867.561       322.3429 3002.881       321.0231 344.0836 19.67706 352.2572 19.13381 -8.173584      27.44612 
1 1 1 -1  -6  10 o 100.9905 9.937570 246.6913       47.36012 180.0475       69.05432 305.8796       65.07714 84.94861 17.58279 112.2601 12.32797 -27.31146      21.47401 
1 1 1 -1  -6  11 o 771.2186 11.15103 14255.09       411.1504 13879.09       1339.771 14294.18       431.9950 750.1022 37.47829 772.1732 11.70188 -22.07098      39.26266 
1 1 1 -1  -6  12 o 494.5807 10.40528 5860.641       246.0363 5909.426       594.4685 5850.557       270.2705 493.2582 25.29290 494.0369 11.44276 -0.7786865     27.76090 
1 1 1 -1  -6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -6  14 o 447.4884 16.52909 4823.112       353.0141 4881.562       501.1485 4765.546       497.3480 448.4949 23.45376 443.0882 23.56276 5.406677       33.24579 
1 1 1 -1  -6  15 o 755.9347 11.33419 13702.63       409.6218 13532.74       1302.797 13721.27       431.5056 739.3649 36.97345 756.3206 11.93362 -16.95569      38.85160 
1 1 1 -1  -6  16 o 369.1956 10.95275 3271.466       193.1112 3603.546       376.2080 3152.664       225.0180 385.6086 20.48016 362.1214 13.01853 23.48715       24.26766 
1 1 1 -1  -6  17 o 407.8396 15.63164 4010.867       304.2269 4040.712       434.8035 3982.242       425.8208 407.5075 22.40388 404.6371 22.09551 2.870392       31.46658 
1 1 1 -1  -6  18 o 378.6180 9.859464 3440.738       178.3172 3334.810       275.7758 3516.846       233.7582 371.6122 15.55677 382.2533 12.80917 -10.64108      20.15162 
1 1 1 -1  -6  19 o 43.47237 19.19764 -22.97739      78.22943 19.80243       205.0646 -30.26361      84.62961 76.33462 32.37435 44.52292 19.79815 31.81170       37.94819 
1 1 1 -1  -6  20 o 341.5639 11.24059 2808.196       183.3063 3097.782       338.7208 2688.260       217.9853 356.1696 19.97191 333.6228 13.69580 22.54681       24.21678 
1 1 1 -1  -6  21 o 369.3685 14.75451 3304.343       260.0269 3380.421       375.1816 3234.020       360.7122 371.0421 21.23870 363.0596 20.86932 7.982483       29.77601 
1 1 1 -1  -6  22 o 444.5824 16.47608 4807.721       349.5929 5167.420       501.5524 4467.834       487.5434 457.2291 23.01830 424.3851 24.12893 32.84402       33.34737 
1 1 1 -1  -6  23 o 120.2221 19.10162 361.5829       106.1218 301.1314       149.6194 422.7827       150.5426 107.5445 28.60479 128.3376 25.43489 -20.79310      38.27751 
1 1 1 -1  -6  24 o 157.5033 16.13084 609.4886       119.7521 665.5550       179.0899 564.1472       161.0526 162.2358 23.79663 149.2915 23.32718 12.94432       33.32322 
1 1 1 -1  -6  25 o 107.2086 23.59543 296.2213       117.6537 328.1298       176.4956 270.7025       157.8381 111.4414 31.65076 101.9435 30.22384 9.497887       43.76358 
1 1 1 -1  -6  26 o 88.83061 21.13683 202.9319       88.45826 388.0718       173.9010 138.3061       102.7436 120.7486 30.20319 75.26818 24.71217 45.48042       39.02466 
1 1 1 -1  -6  27 o 351.2565 15.51876 3017.248       259.9660 2798.996       387.3968 3196.049       350.6400 332.7424 24.52460 358.5392 20.54177 -25.79684      31.99095 
1 1 1 -1  -6  28 o 234.4259 15.48975 1347.688       172.6306 1227.073       342.5741 1388.742       199.8619 213.2904 34.79336 237.0543 17.76413 -23.76389      39.06587 
1 1 1 -1  -6  29 o 66.51720 24.31469 95.35643       100.7366 -17.02747      321.9961 107.5494       106.0606 86.79739 38.60592 69.40793 25.00917 17.38946       45.99865 
1 1 1 -1  -6  30 f 139.6871 18.89186 493.8935       122.9340 325.7641       193.1969 608.2853       159.3587 108.4497 33.70923 153.6838 22.34297 -45.23402      40.44157 
1 1 1 -1  -6  31 o 182.6328 16.48706 832.1567       142.4076 635.1641       224.8276 964.1464       184.0325 150.8094 32.16459 194.8132 20.04486 -44.00371      37.89930 
1 1 1 -1  -6  32 o 132.2043 20.60103 453.1079       125.9675 292.7515       203.4254 552.8374       160.4256 101.8678 34.79201 144.3789 24.08961 -42.51111      42.31777 
1 1 1 -1  -6  33 o 96.23794 34.17125 268.0825       197.2520 -404.0755      340.2241 608.4154       242.0925 66.80935 32.60074 140.5645 35.90107 -73.75512      48.49428 
1 1 1 -1  -6  34 o 50.23746 23.92674 -150.2113      158.3233 -264.9934      211.2581 -3.144989      239.1293 53.76962 26.11339 71.92258 32.52333 -18.15297      41.70943 
1 1 1 -1  -6  35 o 116.9823 30.67493 424.6064       173.6350 687.2447       240.2077 137.1970       251.2802 145.0935 35.02913 80.92277 35.09806 64.17074       49.58743 
1 1 1 -1  -5  1  o 517.0362 9.431776 6408.738       233.1432 6466.375       251.6178 6058.914       619.8873 519.2402 10.13595 497.3154 26.16393 21.92480       28.05867 
1 1 1 -1  -5  2  o 431.9528 15.84327 4504.520       326.6276 4492.838       461.9584 4516.197       461.8840 429.2203 22.59156 430.3617 22.52712 -1.141357      31.90376 
1 1 1 -1  -5  3  o 210.4434 8.052185 1062.750       80.86402 1127.601       144.0546 1032.914       97.71103 215.9505 14.02883 207.2584 9.889581 8.692154       17.16426 
1 1 1 -1  -5  4  o 480.8593 9.539610 5548.363       219.3093 5540.376       238.3724 5592.390       559.6732 480.3455 10.37992 477.0827 24.62091 3.262787       26.71951 
1 1 1 -1  -5  5  f 245.8590 7.056962 1449.566       82.86337 1489.116       118.9502 1412.277       115.4990 248.7935 10.02091 242.2834 9.992619 6.510101       14.15172 
1 1 1 -1  -5  6  o 287.2741 9.989739 1985.077       136.9928 0.000000       0.000000 1985.077       136.9928 ?        ?        287.2741 9.989739 0.000000       9.989739 
1 1 1 -1  -5  7  o 285.8056 17.07964 1987.652       232.3124 1987.652       232.3124 0.000000       0.000000 285.8056 17.07964 ?        ?        0.000000       17.07964 
1 1 1 -1  -5  8  f 68.64202 10.18681 115.5792       32.41745 117.4866       47.56065 113.9242       44.30292 68.46199 14.95065 67.49113 14.18164 0.9708633      20.60682 
1 1 1 -1  -5  9  o 539.3416 9.879540 6978.657       254.7469 7059.224       275.7860 6510.236       664.9846 542.2905 10.63731 514.2454 27.14398 28.04504       29.15387 
1 1 1 -1  -5  10 o 595.0065 20.70138 8579.841       587.9863 8860.945       832.2209 8299.656       830.8571 600.7495 29.06211 580.8546 30.02110 19.89490       41.78365 
1 1 1 -1  -5  11 o 291.9236 12.15889 2047.909       169.3245 2089.200       240.0979 2007.053       238.8292 294.0983 17.15047 288.1920 17.41521 5.906342       24.44234 
1 1 1 -1  -5  12 o 179.2701 9.394765 771.7872       80.23867 774.9390       122.2898 769.4045       106.3266 179.0825 14.40472 178.6724 12.52670 0.4101715      19.08964 
1 1 1 -1  -5  13 o 306.9881 9.110842 2258.723       133.5696 2289.878       196.2131 2231.818       182.3407 308.6410 13.32880 304.7941 12.53999 3.846924       18.30050 
1 1 1 -1  -5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -5  15 o 748.9936 25.56084 13625.78       913.9549 13918.68       1294.660 13334.81       1290.405 751.1116 36.15934 734.7128 36.85438 16.39880       51.63084 
1 1 1 -1  -5  16 o 324.4798 13.56185 2532.464       209.9212 2532.499       302.8046 2532.431       291.2776 323.3840 19.67870 323.5381 18.91347 -0.1541748     27.29415 
1 1 1 -1  -5  17 o 193.9525 13.50262 907.8771       124.4231 972.4688       212.5912 874.2245       153.4499 199.0986 22.74153 189.7529 17.09811 9.345642       28.45211 
1 1 1 -1  -5  18 o 337.8853 13.93410 2749.625       224.6072 2770.562       323.8528 2730.220       311.7763 337.8062 20.14413 335.4866 19.52271 2.319580       28.05213 
1 1 1 -1  -5  19 o 357.2479 14.47648 3078.553       246.7405 3054.640       354.9078 3100.924       343.2707 354.0846 21.06040 357.0361 20.19250 -2.951447      29.17666 
1 1 1 -1  -5  20 o 176.7456 13.61301 756.8210       114.1444 820.1944       164.4530 697.9101       158.5574 182.9135 19.08612 168.3355 20.09824 14.57802       27.71677 
1 1 1 -1  -5  21 o 117.9694 15.13942 341.6230       83.42020 340.0697       137.1887 342.5342       105.0786 115.3518 25.55008 117.1782 19.43760 -1.826370      32.10338 
1 1 1 -1  -5  22 o 296.2267 13.71216 2123.726       193.6684 2030.319       286.9953 2201.825       262.4276 287.2396 21.04490 300.1864 18.37366 -12.94684      27.93705 
1 1 1 -1  -5  23 o 287.4753 13.23603 2000.885       181.4260 2261.170       273.6755 1796.817       242.3257 303.6716 18.94489 270.6110 18.84815 33.06064       26.72380 
1 1 1 -1  -5  24 o 434.5328 16.47873 4600.162       341.7174 4878.605       493.7916 4344.265       473.3774 443.3366 23.37974 418.0208 23.78467 25.31580       33.35150 
1 1 1 -1  -5  25 o 126.0117 16.72530 393.4146       98.27534 513.5833       180.7175 342.9556       117.1045 140.6118 27.86778 116.0861 21.90298 24.52570       35.44508 
1 1 1 -1  -5  26 o 263.0486 14.11894 1683.997       176.9099 1380.861       271.3523 1908.097       233.3115 233.8398 24.64211 278.7122 17.59929 -44.87238      30.28149 
1 1 1 -1  -5  27 o 322.8693 14.85066 2543.734       228.6211 2421.823       341.3443 2642.912       307.8775 310.5397 23.15823 326.5533 19.81362 -16.01364      30.47759 
1 1 1 -1  -5  28 o 90.67861 22.39339 213.2107       96.49690 467.8970       189.1264 123.5733       112.2003 132.1044 30.55387 73.23727 25.79332 58.86716       39.98543 
1 1 1 -1  -5  29 o 246.7674 14.57426 1489.762       171.1766 1205.473       272.1180 1675.922       220.2017 215.9473 26.94175 260.3494 17.79818 -44.40207      32.28983 
1 1 1 -1  -5  30 o 147.0275 17.36461 540.5150       119.7072 325.3753       219.7935 631.2440       142.7341 109.1379 36.15840 158.2753 19.25875 -49.13748      40.96742 
1 1 1 -1  -5  31 o 217.3423 17.26011 1178.344       177.8760 1223.838       337.8986 1160.903       209.2103 208.9476 35.06628 213.7809 20.72930 -4.833298      40.73510 
1 1 1 -1  -5  32 o 96.74329 25.90940 253.3305       122.2274 319.9625       207.9310 218.1503       151.0869 106.3637 35.16646 90.38571 29.98002 15.97799       46.21127 
1 1 1 -1  -5  33 o 47.13985 21.84060 -77.50520      116.9226 -609.9476      210.6457 159.5893       140.5649 43.15463 21.76736 79.56095 28.77478 -36.40632      36.08054 
1 1 1 -1  -5  34 o 169.5518 22.54381 769.2816       178.2176 749.2303       243.4308 792.4426       261.6274 157.9083 33.29532 160.7244 35.03884 -2.816147      48.33527 
1 1 1 -1  -5  35 o 72.14100 31.53931 58.60428       206.3504 -305.5816      361.1149 235.1767       251.4463 70.18672 34.09906 91.05975 36.97070 -20.87302      50.29492 
1 1 1 -1  -5  36 o 103.1737 26.98445 320.5233       134.5950 364.9554       228.6966 296.9781       166.4801 101.3291 36.69549 95.91664 31.45491 5.412506       48.33187 
1 1 1 -1  -4  1  o 492.0344 17.58054 5840.819       412.8930 5778.987       583.9412 5902.641       583.8965 487.0867 25.16106 492.3827 24.88486 -5.295990      35.38835 
1 1 1 -1  -4  2  o 144.0388 6.773469 497.6548       46.51370 534.8386       66.35619 461.7345       65.21916 149.1131 9.355165 138.4464 9.919106 10.66664       13.63480 
1 1 1 -1  -4  3  o 313.4825 8.656068 2355.903       129.6064 2331.241       148.1375 2436.390       267.6199 311.6912 9.953806 317.3607 17.70854 -5.669464      20.31429 
1 1 1 -1  -4  4  o 323.1468 8.719122 2503.847       134.5811 2500.686       153.6959 2514.236       278.6483 322.7909 9.971344 322.1832 18.16384 0.6077271      20.72083 
1 1 1 -1  -4  5  o 388.0237 14.63292 3630.856       270.9684 3548.565       383.3654 3713.011       383.0493 381.8031 21.08407 390.7400 20.57747 -8.936829      29.46134 
1 1 1 -1  -4  6  f 464.9286 9.318847 5185.283       207.1366 5254.561       226.8787 4838.379       507.6924 467.8731 10.14279 444.1530 23.99803 23.72009       26.05344 
1 1 1 -1  -4  7  o 271.3336 11.53812 1774.277       149.3325 1846.386       211.5138 1702.609       210.8637 275.7541 16.11406 264.5948 16.75516 11.15936       23.24647 
1 1 1 -1  -4  8  f 259.2011 8.851759 1614.387       109.5310 1614.285       131.7747 1614.615       197.0068 258.8899 10.66941 257.6974 16.07052 1.192444       19.28984 
1 1 1 -1  -4  9  o 383.8089 20.91514 3606.086       382.3314 3606.086       382.3314 0.000000       0.000000 383.8089 20.91514 ?        ?        0.000000       20.91514 
1 1 1 -1  -4  10 o 264.1707 8.634956 1675.034       108.9104 1397.078       195.2686 1800.544       131.2155 239.7304 17.15061 273.7059 10.04454 -33.97545      19.87551 
1 1 1 -1  -4  11 o 124.0313 9.742535 371.0949       57.30781 379.1129       81.12359 363.1076       80.96761 124.8092 13.82707 122.0637 14.13545 2.745506       19.77369 
1 1 1 -1  -4  12 o 450.2879 10.06505 4859.210       216.6778 5535.551       521.7540 4718.257       238.1885 477.5405 22.92013 443.4280 11.24449 34.11243       25.52980 
1 1 1 -1  -4  13 o 283.8952 9.352593 1932.374       126.7667 1837.821       229.3685 1973.957       152.1087 275.8145 17.48435 286.7619 11.11598 -10.94745      20.71877 
1 1 1 -1  -4  14 o 364.2569 14.35007 3190.499       249.4133 3175.584       356.1327 3204.856       349.4106 362.2655 20.64804 364.0401 20.15472 -1.774597      28.85402 
1 1 1 -1  -4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -4  16 o 355.2388 10.79663 3027.535       183.1524 3357.870       353.5378 2906.356       214.1265 372.5656 19.92079 347.7794 12.90065 24.78619       23.73319 
1 1 1 -1  -4  17 o 274.2778 12.62578 1809.188       165.1166 1847.215       239.9244 1774.972       227.5842 276.2521 18.26861 270.8825 17.66972 5.369568       25.41576 
1 1 1 -1  -4  18 o 293.5918 12.89206 2073.725       180.5155 2268.556       263.0320 1900.262       248.1891 306.1877 18.04859 280.0223 18.64502 26.16531       25.94972 
1 1 1 -1  -4  19 o 297.4407 11.54201 2126.847       163.8193 2559.207       281.9724 1906.555       201.2719 325.0163 18.21944 281.0244 15.03539 43.99188       23.62226 
1 1 1 -1  -4  20 o 277.7188 11.74417 1856.449       155.5803 1989.515       260.0437 1782.265       194.1640 285.9311 19.13301 271.5074 15.01667 14.42371       24.32226 
1 1 1 -1  -4  21 o 243.9414 13.24191 1437.426       153.8555 1265.772       234.5102 1567.147       203.8635 226.7762 21.90219 253.9381 16.88800 -27.16190      27.65702 
1 1 1 -1  -4  22 o 298.2722 13.39233 2150.133       190.4883 2389.888       284.6291 1955.631       256.3647 312.7646 19.12648 282.8341 19.07060 29.93045       27.00944 
1 1 1 -1  -4  23 o 177.8145 13.83144 768.6508       116.6583 666.4337       192.6046 827.8781       146.6106 162.1347 25.70392 183.8533 16.86739 -21.71869      30.74411 
1 1 1 -1  -4  24 o 279.5421 13.67881 1894.658       182.2566 1888.791       275.6168 1899.217       242.9603 276.4938 21.00751 278.3212 18.36173 -1.827393      27.90105 
1 1 1 -1  -4  25 o 174.1131 14.25245 739.3508       117.6021 751.9838       195.9006 732.2331       147.0462 172.4040 24.45254 172.2222 18.13063 0.1817780      30.44086 
1 1 1 -1  -4  26 o 216.0965 15.62168 1142.019       160.3032 638.0986       304.2387 1335.686       188.6081 151.4559 41.01469 233.3100 17.02623 -81.85413      44.40830 
1 1 1 -1  -4  27 o 72.76557 23.38349 130.2237       92.26633 148.8548       178.4608 123.4268       107.7905 84.84740 32.09919 72.92983 25.30935 11.91757       40.87691 
1 1 1 -1  -4  28 o 125.2258 23.04754 403.2571       132.9005 384.3680       192.7524 420.3744       183.4889 119.1496 32.80281 125.0939 30.87165 -5.944267      45.04534 
1 1 1 -1  -4  29 o 235.1730 15.01039 1354.902       167.8861 1353.895       270.3559 1355.533       214.1883 230.2986 24.95297 233.3711 19.37178 -3.072479      31.58982 
1 1 1 -1  -4  30 o 181.2577 16.93087 814.4730       145.0208 963.0055       356.4654 785.0135       158.7522 182.5382 41.75499 177.0906 19.04986 5.447586       45.89527 
1 1 1 -1  -4  31 o 41.80477 20.01750 -145.6617      113.9994 -77.33129      195.4096 -180.9156      140.3598 63.95289 29.10896 46.01196 22.07949 17.94093       36.53540 
1 1 1 -1  -4  32 o 131.2296 22.28449 449.1624       134.8162 516.8253       222.5157 409.9189       169.4605 134.0679 34.51212 121.7821 29.43487 12.28575       45.35965 
1 1 1 -1  -4  33 f 119.5961 27.15212 392.4203       151.6891 -496.1769      358.3662 586.3767       167.4275 67.62399 33.09654 148.5706 24.41902 -80.94663      41.12991 
1 1 1 -1  -4  34 o 80.17271 30.86640 155.9505       166.8867 -65.73905      215.6162 487.2052       263.5663 65.77502 30.17915 122.3695 39.53930 -56.59448      49.74070 
1 1 1 -1  -4  35 o 79.71087 31.02095 160.8280       169.9223 -40.75040      219.2510 464.0089       268.8874 66.79418 30.56656 116.1415 39.98955 -49.34734      50.33367 
1 1 1 -1  -4  36 o 39.14875 19.48885 -309.9386      144.1896 -420.6198      373.1516 -290.5118      156.3324 66.41055 32.75272 42.30248 20.92500 24.10807       38.86639 
1 1 1 -1  -4  37 o 62.50564 26.39584 69.27176       135.3530 -260.0450      225.6312 254.4023       169.1731 53.83833 26.33089 88.00769 31.60130 -34.16936      41.13341 
1 1 1 -1  -3  1  o 455.5025 9.120686 4970.325       198.6217 4746.051       495.4627 5013.269       216.8051 441.8558 23.53922 457.3777 9.914851 -15.52194      25.54211 
1 1 1 -1  -3  2  o 704.8743 24.18610 12068.01       813.8456 12075.00       1150.986 12061.02       1150.917 699.3715 34.53017 698.9537 34.54898 0.4177856      48.84633 
1 1 1 -1  -3  3  o 293.3397 8.159849 2062.013       114.3245 2146.425       132.6896 1818.814       225.2257 299.1806 9.287986 274.2669 17.26415 24.91376       19.60402 
1 1 1 -1  -3  4  o 339.2766 18.83867 2785.263       304.3715 2785.263       304.3715 0.000000       0.000000 339.2766 18.83867 ?        ?        0.000000       18.83867 
1 1 1 -1  -3  5  o 677.2627 10.42884 10998.28       337.6769 11030.71       356.9638 10722.26       1041.391 678.1414 11.01021 658.8199 33.16945 19.32147       34.94906 
1 1 1 -1  -3  6  o 630.6918 21.95488 9665.180       660.9885 9516.141       934.9623 9814.102       934.5955 620.4377 31.62442 630.4362 31.10406 -9.998474      44.35726 
1 1 1 -1  -3  7  o 497.0370 7.443845 5917.757       176.8864 5923.493       251.2197 5912.119       249.1040 496.7532 10.57802 496.2915 10.49870 0.4617004      14.90360 
1 1 1 -1  -3  8  o 59.51224 11.61646 88.08828       31.86465 90.75394       41.30217 84.16859       50.08366 60.13529 14.52966 58.35966 16.95063 1.775631       22.32566 
1 1 1 -1  -3  9  o 214.9114 9.069093 1110.676       92.97247 1034.174       115.6696 1250.316       156.2741 206.9413 11.73948 227.0399 14.47249 -20.09853      18.63514 
1 1 1 -1  -3  10 o 369.4354 7.543164 3271.665       133.2295 3099.810       190.0275 3437.809       186.8428 358.8526 11.08954 378.0960 10.34605 -19.24338      15.16636 
1 1 1 -1  -3  11 f 209.8287 8.982952 1057.871       89.90549 983.5089       146.0116 1103.281       114.1008 201.3113 15.28512 213.9963 11.19145 -12.68494      18.94422 
1 1 1 -1  -3  12 o 751.4495 25.84990 13796.52       927.2991 13839.63       1312.075 13753.49       1310.724 744.2761 36.98956 741.8800 37.07212 2.396118       52.36955 
1 1 1 -1  -3  13 o 567.8583 20.01595 7794.334       542.5562 7733.942       767.9788 7854.510       766.6037 562.4107 28.65637 566.9114 28.37462 -4.500732      40.32749 
1 1 1 -1  -3  14 o 516.6318 8.003546 6389.180       197.6842 6257.740       283.3692 6513.795       275.9150 510.8989 11.60137 521.3146 11.07049 -10.41577      16.03583 
1 1 1 -1  -3  15 f 198.8276 11.75248 951.1003       111.2175 867.2235       161.7621 1026.294       153.1608 188.9509 18.12901 206.0725 15.66335 -17.12155      23.95833 
1 1 1 -1  -3  16 f 276.4112 18.37752 1848.216       241.4779 1848.216       241.4779 0.000000       0.000000 276.4112 18.37752 ?        ?        0.000000       18.37752 
1 1 1 -1  -3  17 f 555.3964 10.94960 7394.744       290.7433 8251.889       761.6049 7248.519       314.5670 581.7245 27.46198 549.7252 11.96904 31.99933       29.95694 
1 1 1 -1  -3  18 o 341.4710 11.46545 2799.892       186.9119 2733.001       332.9097 2830.684       225.8724 335.6241 20.85043 343.0013 13.80216 -7.377136      25.00480 
1 1 1 -1  -3  19 o 442.8092 11.37923 4707.667       240.7009 4710.395       504.3905 4706.863       273.9008 439.6316 24.08977 442.4854 12.96148 -2.853729      27.35538 
1 1 1 -1  -3  20 o 455.6278 17.10779 5018.576       371.9978 5088.062       532.8617 4952.516       519.5593 456.1076 24.52670 450.0954 24.23409 6.012177       34.47970 
1 1 1 -1  -3  21 o 290.2224 13.57461 2032.661       187.8286 2036.171       276.3568 2029.647       256.0622 288.8476 20.13824 288.8039 18.64494 0.4367065E-01  27.44417 
1 1 1 -1  -3  22 o 380.1551 13.94565 3490.527       253.0296 3225.634       321.2997 3923.062       410.5689 363.9877 18.52447 400.2595 21.53466 -36.27182      28.40594 
1 1 1 -1  -3  23 o 244.5781 14.30317 1450.622       166.5170 1527.204       280.0699 1408.749       207.0965 247.8805 23.92998 239.9562 18.18774 7.924332       30.05724 
1 1 1 -1  -3  24 f 385.2962 11.93860 3583.403       219.6504 3275.181       408.6684 3708.615       260.4722 363.2048 23.66368 391.2891 13.94602 -28.08423      27.46746 
1 1 1 -1  -3  25 o 355.0081 12.17010 3046.002       206.2520 2596.540       361.9917 3262.053       250.9746 322.8434 23.61637 366.6231 14.34633 -43.77969      27.63241 
1 1 1 -1  -3  26 o 334.4684 14.85330 2721.763       236.9200 2803.463       353.5354 2655.161       319.2003 335.9252 22.13651 327.7824 20.47118 8.142792       30.15119 
1 1 1 -1  -3  27 o 314.5590 14.85040 2411.032       222.7003 2285.806       334.0650 2511.197       298.7734 302.1075 23.30936 318.7719 19.70066 -16.66440      30.51954 
1 1 1 -1  -3  28 o 263.2128 14.17199 1689.737       177.6814 1951.781       278.8408 1510.599       230.5494 279.7133 21.00482 246.5253 19.72559 33.18791       28.81495 
1 1 1 -1  -3  29 o 103.4643 22.77794 277.7658       109.6146 330.4623       203.8669 256.3362       130.0060 110.7298 34.65991 98.57814 26.85966 12.15170       43.84919 
1 1 1 -1  -3  30 o 56.88012 26.38633 -122.1844      171.4641 -36.83978      344.1380 -150.3670      197.7585 88.43046 39.58206 60.15819 28.05208 28.27227       48.51451 
1 1 1 -1  -3  31 o 53.67615 24.66054 -84.95319      144.6239 -85.18686      208.3103 -84.73575      200.9467 65.86282 30.00780 64.63183 29.45687 1.230988       42.04968 
1 1 1 -1  -3  32 o 78.35454 27.60774 150.4798       128.5513 191.6786       207.2834 124.7308       163.8712 90.38119 34.49958 78.16051 30.45056 12.22067       46.01584 
1 1 1 -1  -3  33 f 115.8405 25.40375 362.0326       136.8089 412.5549       221.1306 330.7024       174.1360 118.5931 35.91771 108.1566 31.66189 10.43648       47.88065 
1 1 1 -1  -3  34 o 189.4551 21.50078 937.0762       191.3063 1083.686       254.5952 746.9442       289.9321 198.8480 27.51730 154.2478 39.23108 44.60020       47.91951 
1 1 1 -1  -3  35 o 213.8027 19.22606 1189.009       194.4257 1147.789       379.2126 1203.709       226.4549 181.0565 44.20049 211.8383 22.71411 -30.78186      49.69521 
1 1 1 -1  -3  36 o 90.25764 28.43305 241.6315       136.9789 366.0055       223.9012 167.2367       173.1662 104.7120 36.46886 79.71172 31.23025 25.00033       48.01360 
1 1 1 -1  -3  37 o 105.7812 27.96457 345.4821       143.5505 482.0428       239.2693 268.6853       179.4303 113.6749 37.72861 90.28687 32.52939 23.38803       49.81575 
1 1 1 -1  -2  1  o 573.2186 7.388000 7865.522       202.4676 7191.853       286.2444 8540.019       286.4204 547.6655 10.93235 596.9376 10.03614 -49.27216      14.84050 
1 1 1 -1  -2  2  o 355.4835 8.774605 3026.737       149.1267 3007.919       167.3271 3099.394       328.7957 354.1452 9.892411 357.8713 19.28852 -3.726074      21.67733 
1 1 1 -1  -2  3  o 197.4717 9.749173 936.6835       91.75637 922.2717       129.7912 951.0828       129.7350 195.4410 13.98299 198.5169 13.75451 -3.075897      19.61404 
1 1 1 -1  -2  4  o 157.8098 9.016729 598.4863       67.74544 625.2966       95.94331 571.8284       95.67029 160.9258 12.57007 153.7735 13.13905 7.152206       18.18355 
1 1 1 -1  -2  5  o 908.7263 11.78700 19810.00       512.0880 19867.01       1858.304 19805.31       532.7137 889.1304 43.85155 908.4858 12.26499 -19.35541      45.53447 
1 1 1 -1  -2  6  o 723.5679 10.56605 12554.05       365.5110 12648.77       385.3396 11704.08       1154.309 726.1761 11.09924 687.1386 35.25523 39.03754       36.96112 
1 1 1 -1  -2  7  o 256.8635 11.16846 1586.370       136.8248 1669.896       193.8109 1503.378       193.1897 262.8625 15.49069 249.2152 16.30393 13.64735       22.48955 
1 1 1 -1  -2  8  o 248.8774 8.519224 1486.456       101.2169 1556.911       123.2489 1340.502       177.3922 254.5084 10.14950 235.1623 15.87120 19.34608       18.83899 
1 1 1 -1  -2  9  o 314.0522 8.988127 2368.728       134.8132 2422.890       157.5598 2220.712       260.4658 317.3758 10.39800 301.9020 18.12933 15.47385       20.89955 
1 1 1 -1  -2  10 o 77.98940 10.27885 148.6789       37.39342 126.1767       54.86498 168.1988       51.10010 70.76118 16.51955 82.46574 13.42221 -11.70456      21.28500 
1 1 1 -1  -2  11 o 341.9981 9.386930 2809.763       153.3362 2932.278       315.1644 2771.770       175.5092 346.7411 19.08541 339.3994 10.83020 7.341736       21.94416 
1 1 1 -1  -2  12 o 340.7480 13.37266 2798.604       217.4280 2979.634       308.6048 2620.167       306.3863 350.3158 18.49164 328.1206 19.62075 22.19519       26.96136 
1 1 1 -1  -2  13 o 215.0630 9.285059 1110.438       95.24328 1017.631       154.4551 1167.378       120.9831 204.9788 15.88492 220.2655 11.52880 -15.28676      19.62764 
1 1 1 -1  -2  14 o 508.1581 10.66636 6189.204       259.1335 6134.669       283.8942 6461.557       634.4361 505.7718 11.74069 515.2717 25.83635 -9.499908      28.37888 
1 1 1 -1  -2  15 o 283.6447 10.04543 1929.836       136.0082 2064.409       172.4908 1708.654       221.1371 293.1306 12.33583 265.9079 17.49204 27.22263       21.40430 
1 1 1 -1  -2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  -2  17 o 273.6845 13.38209 1802.261       174.5677 1491.526       253.7573 2081.437       240.5257 247.5207 21.66174 293.5717 17.21268 -46.05101      27.66780 
1 1 1 -1  -2  18 o 361.6931 14.93787 3149.940       257.7518 2820.857       368.8169 3464.108       360.3623 340.5844 22.78150 378.2772 19.99707 -37.69275      30.31302 
1 1 1 -1  -2  19 o 159.5013 14.36491 616.4437       108.3683 369.7081       166.1235 799.2179       142.9792 120.6184 29.13735 181.4133 16.67152 -60.79495      33.56970 
1 1 1 -1  -2  20 o 262.5413 13.40678 1661.247       167.7220 1557.773       247.3474 1749.320       228.1976 252.7789 20.64689 268.5938 17.87247 -15.81485      27.30786 
1 1 1 -1  -2  21 o 102.4515 22.46377 265.2960       106.9912 363.9668       244.6650 241.9660       118.9694 120.3375 38.01193 97.62619 25.28876 22.71133       45.65554 
1 1 1 -1  -2  22 o 277.6526 13.39507 1861.655       177.2850 2203.424       262.5725 1575.318       240.3380 300.8399 18.34318 253.7381 19.97292 47.10176       27.11807 
1 1 1 -1  -2  23 o 191.4276 15.96591 893.4020       144.7897 1057.072       206.1659 734.1110       203.3894 206.9106 21.13801 170.6443 25.72945 36.26630       33.29895 
1 1 1 -1  -2  24 o 273.6770 14.41869 1817.535       187.9913 2182.375       311.6425 1608.833       235.7052 297.0885 22.09960 255.8701 19.41308 41.21844       29.41530 
1 1 1 -1  -2  25 o 228.8976 13.87138 1272.851       151.0866 1536.674       236.2179 1090.200       196.5477 249.5390 19.96650 209.9893 19.81190 39.54964       28.12779 
1 1 1 -1  -2  26 o 441.6991 17.35570 4769.679       365.7891 4683.946       527.7017 4848.973       507.4975 432.0728 25.66161 440.8067 24.17369 -8.733948      35.25458 
1 1 1 -1  -2  27 o 166.6848 18.02423 688.0480       141.3532 936.4913       316.3506 626.0721       158.0034 185.9389 36.88955 157.7555 21.50914 28.18346       42.70225 
1 1 1 -1  -2  28 o 96.77222 28.80410 244.6300       143.1328 156.3207       194.6537 348.5883       211.1977 87.36402 33.41135 113.9385 35.21640 -26.57450      48.54393 
1 1 1 -1  -2  29 o 235.0739 14.79621 1352.943       165.4454 1494.286       263.5528 1261.019       212.5414 243.1960 22.93843 224.7347 19.99015 18.46133       30.42660 
1 1 1 -1  -2  30 o 152.1058 18.20628 578.1041       129.7693 966.7131       227.4460 390.5463       158.0118 193.9324 25.12090 121.1773 27.85808 72.75512       37.51176 
1 1 1 -1  -2  31 o 239.0984 16.40421 1412.153       186.3806 1430.027       278.3255 1397.622       250.9579 235.6715 25.08745 234.4864 22.66824 1.185120       33.81168 
1 1 1 -1  -2  32 o 85.62030 27.66097 192.0494       128.9962 307.1252       335.4649 172.0814       139.7405 109.6964 43.31836 82.80062 28.81243 26.89577       52.02534 
1 1 1 -1  -2  33 o 86.12496 26.18371 198.7022       117.3617 177.0636       207.1799 208.9269       142.4153 88.00709 34.25232 88.43852 29.09756 -0.4314346     44.94318 
1 1 1 -1  -2  34 o 96.30698 33.94805 258.2835       194.3929 485.9809       354.0911 160.0510       232.5753 122.0008 45.41048 87.17844 35.49636 34.82234       57.63770 
1 1 1 -1  -2  35 o 205.5531 16.37456 1072.734       159.5878 1268.122       262.7987 958.5881       200.8654 214.4218 26.17785 189.3588 22.63548 25.06299       34.60701 
1 1 1 -1  -2  36 o 93.60016 26.64360 254.6122       124.9290 438.4629       228.6917 176.4111       149.1503 114.4402 36.81760 80.05957 29.53226 34.38059       47.19841 
1 1 1 -1  -2  37 o 64.32358 28.50572 33.68323       173.9564 110.8985       225.2034 -80.54379      273.9099 75.55823 32.99269 68.00235 32.11782 7.555878       46.04425 
1 1 1 -1  -1  1  o 269.0415 3.040717 1730.694       39.11142 10.76234       54.42263 3567.820       56.24623 41.08174 16.99635 386.2873 3.045612 -345.2055      17.26707 
1 1 1 -1  -1  2  o 485.4843 8.866423 5645.555       205.7937 4573.009       520.6189 5844.176       224.0399 433.1443 25.25028 493.8782 9.488493 -60.73386      26.97421 
1 1 1 -1  -1  3  o 320.7226 8.635159 2465.371       132.2857 2448.987       150.6538 2520.541       276.4485 319.5249 9.873897 322.8918 17.97907 -3.366882      20.51196 
1 1 1 -1  -1  4  o 276.5513 11.59063 1837.723       152.9069 1847.981       216.3585 1827.487       216.1278 276.6053 16.43491 275.0486 16.51190 1.556641       23.29698 
1 1 1 -1  -1  5  o 506.9919 18.04687 6203.447       436.7350 6258.261       617.7551 6148.674       617.5181 506.8134 25.57798 502.2621 25.80293 4.551361       36.33213 
1 1 1 -1  -1  6  o 951.4465 32.35074 22254.11       1469.416 22393.11       2078.198 22115.14       2077.938 940.9004 46.34183 934.6920 46.64772 6.208435       65.75390 
1 1 1 -1  -1  7  o 632.8514 21.98351 9720.010       664.1207 9724.037       939.3880 9715.985       939.0292 628.1147 31.38162 627.8533 31.38279 0.2614136      44.38114 
1 1 1 -1  -1  8  f 461.8097 16.75743 5153.727       369.3672 5289.556       522.6885 5018.234       522.0402 465.4273 23.56668 453.0483 24.18958 12.37903       33.77165 
1 1 1 -1  -1  9  f 328.9391 9.032796 2597.383       141.9171 2461.650       285.2635 2642.026       163.5994 317.9789 18.84918 331.5420 10.33393 -13.56308      21.49608 
1 1 1 -1  -1  10 o 405.9146 15.24551 3990.383       295.3333 4073.049       418.2467 3908.175       417.0845 407.4931 21.54517 398.9451 21.95229 8.548004       30.75870 
1 1 1 -1  -1  11 o 265.5132 11.65831 1700.008       147.6284 1692.999       209.9202 1706.868       207.6545 263.7530 16.73376 264.9063 16.47769 -1.153290      23.48474 
1 1 1 -1  -1  12 o 72.08811 12.27096 128.4526       40.77753 135.7403       61.94260 122.8787       54.17174 73.41191 17.82870 69.90947 16.47898 3.502441       24.27796 
1 1 1 -1  -1  13 o 133.9514 10.15388 432.8091       64.54175 499.5798       95.36105 376.3689       87.67431 143.4230 14.08897 124.1256 15.08337 19.29737       20.63994 
1 1 1 -1  -1  14 o 687.6902 11.14053 11340.66       366.2749 11367.69       389.3704 11132.87       1079.562 688.3702 11.83130 671.9866 33.71071 16.38361       35.72663 
1 1 1 -1  -1  15 o 408.8143 10.41258 4007.323       203.3476 4121.092       235.2964 3671.634       404.1765 414.3904 11.88903 389.2731 21.80457 25.11725       24.83522 
1 1 1 -1  -1  16 o 869.9232 29.73092 18464.40       1234.693 18140.30       1747.573 18787.43       1744.669 852.8882 42.99699 868.7128 42.13330 -15.82452      60.19930 
1 1 1 -1  -1  17 o 53.83171 21.21262 39.64325       80.29040 -209.1232      125.4187 212.3924       104.5140 41.76846 20.24640 91.94136 23.64470 -50.17290      31.12859 
1 1 1 -1  -1  18 o 317.4085 11.83825 2419.962       179.3299 1446.487       271.0205 3178.111       239.1757 243.2336 23.60247 363.5164 13.78709 -120.2827      27.33424 
1 1 1 -1  -1  19 o 530.4999 11.86244 6752.843       300.8623 6985.218       696.5022 6699.538       333.5901 534.5729 27.34339 527.9974 13.22559 6.575439       30.37396 
1 1 1 -1  -1  20 o 183.9153 14.02719 817.9983       122.4075 1010.612       191.1168 684.0256       159.3910 203.4665 19.90125 166.9244 20.39575 36.54211       28.49643 
1 1 1 -1  -1  21 o 455.3592 11.64541 4984.104       253.3149 5196.334       294.7244 4384.012       495.5884 464.5761 13.28302 422.9797 24.61351 41.59641       27.96898 
1 1 1 -1  -1  22 o 280.9046 13.70156 1905.754       183.4532 2155.613       273.8521 1702.342       247.0908 297.3214 19.37103 263.9791 19.72098 33.34225       27.64333 
1 1 1 -1  -1  23 o 387.8620 11.53094 3623.110       213.5836 4081.828       340.7238 3326.185       274.1281 409.7757 17.43176 370.4901 15.51066 39.28558       23.33339 
1 1 1 -1  -1  24 o 115.1476 19.89065 332.8408       105.5414 444.5240       175.2285 269.2595       132.2135 130.9125 28.78268 102.1588 26.75715 28.75372       39.29870 
1 1 1 -1  -1  25 o 214.6282 14.38683 1120.933       146.7725 1150.758       229.5098 1100.296       190.9143 214.7292 22.69963 211.2218 19.11225 3.507401       29.67408 
1 1 1 -1  -1  26 o 421.4056 12.87422 4298.464       259.0717 4900.167       500.0107 4077.650       302.9014 443.5292 23.66594 409.2809 15.50807 34.24835       28.29447 
1 1 1 -1  -1  27 f 108.7050 22.14000 302.7478       111.1499 186.4809       188.3558 364.8661       137.6767 90.93500 33.24673 118.7007 25.04890 -27.76570      41.62682 
1 1 1 -1  -1  28 o 135.9364 19.09785 463.2478       120.6982 330.6046       199.4081 539.9421       151.6289 111.2937 34.18758 145.7418 22.48390 -34.44810      40.91841 
1 1 1 -1  -1  29 o 73.63759 28.62195 99.44563       144.5166 198.1238       191.2364 -31.93628      220.6621 91.90556 33.51578 72.45360 32.10711 19.45197       46.41308 
1 1 1 -1  -1  30 o 99.75577 24.70997 261.5256       117.2306 329.4658       203.3344 227.6981       143.4771 110.2750 34.62860 93.33451 29.05574 16.94047       45.20372 
1 1 1 -1  -1  31 o 51.80470 22.95730 -26.59787      112.8217 -91.39983      214.6665 -1.867018      132.6141 66.76777 30.43634 58.88428 25.51869 7.883492       39.71869 
1 1 1 -1  -1  32 o 61.99243 28.60393 -109.0300      197.5382 -114.7452      364.6642 -106.6564      235.0043 84.49075 38.94144 68.30840 31.40228 16.18235       50.02539 
1 1 1 -1  -1  33 o 68.65117 26.05121 99.51326       117.7598 54.54581       202.1660 122.6056       144.8749 74.95861 31.97995 75.33788 28.82130 -0.3792725     43.05096 
1 1 1 -1  -1  34 o 129.8999 32.92602 489.4752       204.7176 405.9673       351.2112 532.4486       251.9443 115.3542 44.67940 132.0167 37.91999 -16.66245      58.60183 
1 1 1 -1  -1  35 o 53.16999 23.58580 -13.73720      119.3771 -609.0476      211.7929 263.4595       144.5219 42.97585 21.69543 95.56491 29.05640 -52.58906      36.26246 
1 1 1 -1  -1  36 o 78.02206 28.67370 164.6611       140.3868 -23.32181      370.3104 196.2129       151.7115 81.62049 38.16731 83.15209 29.91749 -1.531601      48.49537 
1 1 1 -1  -1  37 o 106.2837 31.45637 362.9592       171.0932 524.6459       233.2372 174.5925       251.7461 122.1172 36.86705 82.82351 35.51904 39.29374       51.19358 
1 1 1 -1  -1  38 o 102.6777 29.18448 342.1215       150.0031 -211.4786      385.4583 440.9222       162.8394 69.80548 34.19776 117.3064 29.16082 -47.50089      44.94263 
1 1 1 -1  0   1  o 178.1716 6.496209 760.6813       55.24324 931.3849       78.28870 591.3914       77.96381 197.0388 8.329515 156.7217 10.46529 40.31714       13.37547 
1 1 1 -1  0   2  o 567.5590 9.887031 7719.594       268.2781 7701.945       286.7178 7843.711       760.3586 566.8063 10.58063 566.3991 28.16777 0.4072266      30.08941 
1 1 1 -1  0   3  o 330.8648 12.99720 2632.253       205.1933 2604.056       290.2456 2660.428       290.1286 328.0852 18.58016 331.6726 18.36843 -3.587402      26.12702 
1 1 1 -1  0   4  o 450.7956 16.38066 4897.715       352.4493 4917.729       498.5686 4877.722       498.3088 449.8638 23.26017 447.9986 23.34612 1.865204       32.95568 
1 1 1 -1  0   5  o 686.2845 23.58818 11433.12       772.7889 11618.46       1093.111 11247.94       1092.667 686.6096 33.40033 675.2084 33.95766 11.40125       47.63092 
1 1 1 -1  0   6  o 883.1564 29.98021 19097.29       1264.010 19520.63       1787.885 18674.23       1787.276 882.4499 42.50304 862.1187 43.50329 20.33118       60.81977 
1 1 1 -1  0   7  o 466.3762 9.538503 5212.945       212.6792 5284.526       233.8546 4870.525       511.4781 469.4491 10.41955 447.0899 24.01711 22.35916       26.17993 
1 1 1 -1  0   8  o 556.5344 19.72213 7508.947       523.9225 7329.040       741.3994 7688.408       740.4781 545.6793 28.51781 559.3398 27.77723 -13.66052      39.81005 
1 1 1 -1  0   9  o 282.8850 9.021111 1921.228       121.8492 1906.625       228.3922 1927.038       144.0648 280.2368 17.12881 283.0703 10.66430 -2.833496      20.17730 
1 1 1 -1  0   10 o 501.2415 18.14353 6112.431       434.0704 6012.768       614.4937 6211.688       613.2448 492.5135 26.19119 500.9497 25.69120 -8.436188      36.68809 
1 1 1 -1  0   11 o 222.0708 10.77462 1188.685       114.0521 1212.847       162.9397 1165.474       159.6974 223.3821 15.35035 218.9553 15.35307 4.426819       21.71060 
1 1 1 -1  0   12 o 102.5918 11.70702 256.3723       56.39403 158.3425       75.92014 377.0433       84.23238 79.16216 20.04343 124.1931 14.45635 -45.03098      24.71285 
1 1 1 -1  0   13 o 175.4090 10.35317 740.7862       86.43658 762.8740       125.1105 720.6154       119.5580 177.3495 14.89300 172.3747 14.64618 4.974762       20.88809 
1 1 1 -1  0   14 f 482.4316 17.43916 5616.089       401.5638 5769.233       569.1563 5464.293       566.6459 486.7620 24.53632 473.4818 25.12218 13.28021       35.11630 
1 1 1 -1  0   15 o 617.1915 10.75385 9129.851       317.3160 8604.215       871.9324 9210.094       340.6765 592.7840 30.87289 619.7810 11.49729 -26.99701      32.94424 
1 1 1 -1  0   16 o 884.6889 30.11483 19108.20       1271.879 19236.62       1800.303 18980.24       1797.118 878.2203 43.00873 872.1457 43.23497 6.074646       60.98372 
1 1 1 -1  0   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0   18 o 307.8422 14.01833 2280.946       205.7744 2186.358       297.2386 2368.000       285.1552 300.1272 20.84485 312.7589 19.16254 -12.63171      28.31450 
1 1 1 -1  0   19 o 424.6191 13.68668 4336.009       277.4842 4151.228       338.1765 4716.776       485.4496 414.7643 17.09090 440.4842 23.13292 -25.71982      28.76162 
1 1 1 -1  0   20 o 191.6572 15.98741 890.7479       145.1581 387.9450       197.6863 1479.037       213.8322 123.2607 32.92334 246.8677 18.24656 -123.6071      37.64151 
1 1 1 -1  0   21 o 365.0995 13.74569 3212.146       239.5024 3400.100       324.3637 2986.833       355.1399 374.5378 18.16878 350.0601 21.32127 24.47772       28.01252 
1 1 1 -1  0   22 o 312.1959 14.31535 2354.763       213.0984 2365.186       311.3273 2345.575       292.3047 310.9904 21.06357 310.0917 19.82060 0.8986816      28.92283 
1 1 1 -1  0   23 o 387.1028 15.34294 3628.992       283.3884 4240.485       409.8938 3069.059       392.2327 416.3535 20.65661 352.8890 23.38046 63.46445       31.19842 
1 1 1 -1  0   24 o 185.3177 14.94235 836.6719       131.2652 746.3254       202.6112 902.0234       172.3198 171.8869 25.42110 191.3659 19.08926 -19.47900      31.79044 
1 1 1 -1  0   25 o 206.5615 16.18810 1043.499       158.5889 1089.031       216.6360 990.9227       232.7917 209.1033 21.99929 198.1517 25.13812 10.95157       33.40499 
1 1 1 -1  0   26 o 352.8701 14.78105 3027.671       248.8087 3794.390       364.7923 2360.734       340.2279 392.7101 19.49057 307.6051 23.30840 85.10498       30.38361 
1 1 1 -1  0   27 o 77.47137 28.55265 127.5322       139.3682 282.2607       181.5889 -94.24897      217.4035 104.1566 32.72701 67.98895 30.85064 36.16766       44.97577 
1 1 1 -1  0   28 o 138.1309 21.80371 484.2456       139.2177 690.2602       313.5762 433.6698       155.3695 156.2155 41.34687 129.0486 26.08102 27.16685       48.88541 
1 1 1 -1  0   29 o 91.53048 25.46809 219.0929       115.5086 552.6146       193.0624 33.14351       144.1561 144.3622 28.98080 65.27811 27.38430 79.08405       39.87213 
1 1 1 -1  0   30 o 136.4884 24.94862 485.1237       156.8014 548.1051       332.7514 467.1464       177.7769 136.9100 44.44194 132.1747 28.93734 4.735382       53.03259 
1 1 1 -1  0   31 o 80.89271 26.65286 164.6240       119.4742 156.4616       204.5261 168.8519       147.2001 87.41209 34.02900 83.64603 29.53631 3.766052       45.05958 
1 1 1 -1  0   32 o 52.94691 25.63389 -280.7117      199.4935 -422.9001      354.7061 -214.9265      241.2686 70.74383 34.23352 63.32730 29.97947 7.416527       45.50497 
1 1 1 -1  0   33 o 81.95539 26.91224 175.5738       121.8500 381.8791       202.8469 59.10371       152.4124 115.0971 34.29781 68.32536 28.37094 46.77177       44.51123 
1 1 1 -1  0   34 o 118.3295 29.34784 393.6364       165.2129 559.5596       216.9547 164.6024       254.8974 139.0470 33.11285 89.74267 36.92108 49.30434       49.59463 
1 1 1 -1  0   35 o 61.26867 25.39898 51.71717       121.8721 -42.30760      209.3268 99.93186       149.8971 66.26308 30.14772 71.25309 28.68247 -4.990013      41.61213 
1 1 1 -1  0   36 o 94.91867 27.34970 263.5872       130.8666 203.5375       224.1350 294.6474       161.1967 86.73929 35.01764 98.35303 30.82496 -11.61374      46.65205 
1 1 1 -1  0   37 o 106.9133 26.74777 339.5605       136.3671 739.7195       238.4923 145.1811       166.2200 151.4090 33.80326 75.49026 30.26754 75.91871       45.37383 
1 1 1 -1  0   38 o 85.54587 28.48375 234.0866       136.3517 247.4187       234.9943 227.3199       167.4157 85.22581 35.29413 83.32809 31.18297 1.897713       47.09621 
1 1 1 -1  1   1  o 448.8297 9.272573 4826.200       198.9712 5006.512       497.5368 4791.872       217.0863 453.9953 22.99760 447.1319 10.15520 6.863373       25.13996 
1 1 1 -1  1   2  o 375.2831 14.15534 3388.805       253.5179 3271.707       358.4371 3506.023       358.6199 367.4142 20.48669 380.5555 19.77885 -13.14120      28.47643 
1 1 1 -1  1   3  o 348.4396 13.47748 2920.170       224.0912 2914.131       316.9532 2926.206       316.8726 346.9908 19.18058 347.7213 19.13473 -0.7305298     27.09303 
1 1 1 -1  1   4  o 389.8850 8.937447 3641.234       166.5936 3405.764       373.9052 3699.556       186.0847 374.7690 20.95183 392.7772 9.917532 -18.00821      23.18052 
1 1 1 -1  1   5  o 770.5957 10.94506 14238.92       403.2303 14299.29       423.3165 13647.75       1324.755 772.1107 11.46773 741.3729 37.49755 30.73779       39.21193 
1 1 1 -1  1   6  o 482.8734 9.650130 5587.561       222.7793 5593.499       563.0219 5586.459       242.5769 479.2574 24.65530 482.7144 10.51116 -3.456970      26.80240 
1 1 1 -1  1   7  o 711.5063 24.48866 12330.77       831.7722 12805.21       1176.396 11856.48       1176.212 718.6872 34.33707 690.4556 35.75389 28.23163       49.57191 
1 1 1 -1  1   8  f 167.9082 9.722250 678.3950       77.71159 701.7476       109.6064 654.7898       110.1976 170.2629 13.57743 164.3375 14.16385 5.925400       19.62043 
1 1 1 -1  1   9  f 260.8878 9.312266 1635.067       115.9632 1699.519       204.8360 1604.667       140.6778 264.6669 16.26678 258.1248 11.42787 6.542053       19.87975 
1 1 1 -1  1   10 o 218.6432 9.447368 1150.061       98.52105 1177.706       158.9916 1132.828       125.5255 220.1636 15.19825 216.5408 12.17408 3.622726       19.47293 
1 1 1 -1  1   11 o 278.0835 11.99639 1865.724       159.1151 1962.462       225.5644 1769.911       224.4850 284.0110 16.68570 269.4246 17.52283 14.58643       24.19633 
1 1 1 -1  1   12 o 185.3998 10.41118 828.2277       91.91134 849.0572       130.9926 808.0287       128.9950 186.9851 14.77311 182.3532 14.92673 4.631851       21.00124 
1 1 1 -1  1   13 f 413.5930 15.58654 4129.273       307.6477 4020.513       435.6395 4237.476       434.5218 405.9536 22.53460 417.0359 21.87008 -11.08224      31.40236 
1 1 1 -1  1   14 o 167.0827 10.69226 672.0968       84.96185 699.4451       121.3963 645.8399       118.9495 169.8772 15.10460 163.1338 15.43497 6.743454       21.59600 
1 1 1 -1  1   15 o 463.9795 17.02724 5187.243       377.0632 5070.716       533.9096 5303.195       532.5886 456.7828 24.53842 467.3545 23.91573 -10.57172      34.26509 
1 1 1 -1  1   16 o 261.4154 12.74229 1643.406       158.7731 1635.366       241.1024 1649.563       210.9789 259.7244 19.56067 261.3030 16.98027 -1.578552      25.90270 
1 1 1 -1  1   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  1   18 o 338.3228 14.60345 2755.716       235.6520 2604.972       338.0314 2898.243       328.6893 327.5030 21.71162 345.9300 19.95891 -18.42703      29.49157 
1 1 1 -1  1   19 o 379.8763 15.52219 3477.680       281.3117 3328.222       402.8005 3619.989       393.0484 369.8484 22.89242 386.2027 21.37071 -16.35428      31.31725 
1 1 1 -1  1   20 o 291.4084 14.47372 2047.660       201.0154 1740.603       290.0498 2331.439       278.8388 266.7964 22.96288 310.0822 18.89885 -43.28589      29.73988 
1 1 1 -1  1   21 o 115.7997 19.67078 333.5992       105.0105 570.3914       161.2972 159.4014       138.3454 151.4377 23.00076 83.69234 28.68894 67.74532       36.77078 
1 1 1 -1  1   22 o 141.8880 16.83125 493.5754       111.9534 654.0709       171.9655 375.5151       147.4897 162.1597 22.81114 121.3840 26.18522 40.77572       34.72771 
1 1 1 -1  1   23 o 232.3060 13.89914 1306.881       153.6619 1365.015       228.8973 1259.190       207.3226 235.6825 20.51877 226.6520 19.31671 9.030518       28.18076 
1 1 1 -1  1   24 o 224.1475 17.32571 1228.808       184.2261 1493.873       290.2739 1050.028       238.3912 244.3692 25.20709 204.6040 24.88161 39.76520       35.41881 
1 1 1 -1  1   25 o 219.8567 14.35711 1176.042       150.0834 1281.218       225.7062 1092.678       200.9452 227.3233 21.00530 210.0628 20.25981 17.26044       29.18360 
1 1 1 -1  1   26 o 327.7465 13.81888 2607.406       216.0447 2971.149       346.5565 2376.184       276.3073 346.5182 21.01777 310.8927 18.67585 35.62552       28.11643 
1 1 1 -1  1   27 o 344.8537 15.52398 2901.547       255.2885 2547.979       369.5645 3224.250       353.0654 318.3510 24.46910 360.8599 20.54978 -42.50885      31.95357 
1 1 1 -1  1   28 o 157.2363 21.32186 623.3623       156.1563 698.6443       204.8421 518.9138       241.2819 164.2074 27.03249 137.3961 36.22332 26.81129       45.19828 
1 1 1 -1  1   29 o 133.1900 20.62410 450.0773       127.0858 361.9162       202.2949 507.5555       163.3420 115.2602 34.22774 139.7058 25.39038 -24.44561      42.61701 
1 1 1 -1  1   30 o 173.3058 20.67175 758.2389       167.9040 878.0002       223.2620 602.3204       254.7447 183.9227 26.12450 146.4715 36.50904 37.45123       44.89320 
1 1 1 -1  1   31 o 204.0428 16.40403 1029.834       158.6748 1081.628       247.5065 993.6924       206.7523 204.2265 25.93329 197.6677 22.26478 6.558792       34.17976 
1 1 1 -1  1   32 f 115.8880 35.35553 381.2852       213.7336 533.7320       365.7913 302.2567       263.3697 131.6951 46.55541 106.4891 39.25013 25.20605       60.89318 
1 1 1 -1  1   33 o 124.4021 23.26233 408.9851       133.2681 433.6778       211.3018 392.6749       171.7314 122.1834 34.60763 118.3830 30.23796 3.800362       45.95674 
1 1 1 -1  1   34 o 91.97775 31.61380 230.8852       168.0236 77.61115       217.1964 459.3271       265.1588 78.18895 33.24563 121.7702 39.68263 -43.58122      51.76855 
1 1 1 -1  1   35 o 121.2559 24.91656 405.0513       139.6107 317.1668       234.0319 453.6051       173.9525 102.1734 37.10401 125.3151 29.52341 -23.14169      47.41666 
1 1 1 -1  1   36 o 150.1675 26.97769 645.3515       186.5635 938.8267       253.1979 296.7657       275.9492 177.2985 30.99885 96.92986 38.95209 80.36862       49.78146 
1 1 1 -1  1   37 f 67.33410 28.10578 86.48739       150.7101 256.2520       394.1039 57.40873       163.1076 93.19275 41.98261 65.69425 28.38537 27.49850       50.67809 
1 1 1 -1  1   38 o 95.67955 33.37061 325.4648       187.5100 308.5479       251.8934 346.4897       280.8166 90.65936 36.93087 93.30712 38.60598 -2.647758      53.42575 
1 1 1 -1  2   1  o 325.1891 12.79001 2542.405       198.4575 2470.832       280.6152 2614.025       280.7075 319.5808 18.44468 328.8473 17.92239 -9.266479      25.71806 
1 1 1 -1  2   2  o 379.3752 13.90468 3462.243       251.7694 2961.592       355.8402 3964.110       356.2717 349.2853 21.41206 405.0352 18.44683 -55.74991      28.26238 
1 1 1 -1  2   3  o 615.4210 9.199963 9073.500       270.6866 6722.824       758.4343 9416.635       289.7703 523.2456 30.44981 626.8780 9.668574 -103.6324      31.94796 
1 1 1 -1  2   4  o 351.8971 7.104494 2964.001       119.5246 2880.278       168.5751 3048.641       169.4952 346.5038 10.18706 356.5238 9.953726 -10.01999      14.24264 
1 1 1 -1  2   5  o 268.3420 8.667624 1726.526       111.0522 1730.582       207.2509 1724.893       131.5280 267.6392 16.27406 268.0497 10.28255 -0.4105530     19.25035 
1 1 1 -1  2   6  o 604.7593 10.01917 8768.181       289.6827 8889.932       309.9040 7925.509       815.3037 608.8291 10.64690 567.6125 30.15227 41.21655       31.97680 
1 1 1 -1  2   7  o 681.2281 23.57582 11308.89       766.6774 10861.96       1084.214 11755.88       1084.277 660.5186 34.45288 688.3120 33.04587 -27.79340      47.73920 
1 1 1 -1  2   8  o 425.1887 9.645320 4337.269       196.0680 4315.671       449.2365 4342.352       217.9187 420.2236 22.44214 425.1216 10.73051 -4.898071      24.87556 
1 1 1 -1  2   9  o 44.67718 14.87206 45.65366       37.17188 34.17339       44.64119 71.61208       67.12724 43.13709 16.11045 57.23136 19.96610 -14.09427      25.65525 
1 1 1 -1  2   10 o 215.6883 10.70989 1121.592       110.0930 1066.147       155.8588 1176.805       155.5316 209.2499 15.69399 220.0962 14.86805 -10.84622      21.61852 
1 1 1 -1  2   11 o 396.0621 9.978799 3771.147       188.8008 3869.014       404.6786 3743.918       213.4555 397.1717 21.39090 394.3046 11.33491 2.867065       24.20849 
1 1 1 -1  2   12 o 203.5873 10.71351 998.2915       103.9105 1069.657       147.1587 927.3259       146.7456 210.0719 14.74609 195.3060 15.85213 14.76591       21.65034 
1 1 1 -1  2   13 o 687.5636 11.43663 11348.47       375.9407 11269.05       399.1519 11972.40       1118.747 684.9574 12.18895 694.2568 33.80735 -9.299377      35.93755 
1 1 1 -1  2   14 o 608.1179 21.30548 8953.988       618.4662 9070.071       874.6502 8837.909       874.6365 608.1887 30.17491 600.1306 30.58496 8.058105       42.96470 
1 1 1 -1  2   15 o 468.9056 17.16098 5298.266       384.0631 5552.294       543.2266 5044.387       543.0679 478.2763 23.83220 455.4598 25.03625 22.81647       34.56570 
1 1 1 -1  2   16 o 244.0329 11.89179 1431.522       138.3230 1809.327       208.7549 1135.817       184.6855 273.8555 16.01424 216.4456 18.01047 57.40984       24.10048 
1 1 1 -1  2   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  2   18 o 595.1013 12.02598 8496.824       342.1525 7557.393       802.5021 8705.534       378.2551 555.0259 30.35858 602.1518 13.13925 -47.12592      33.07995 
1 1 1 -1  2   19 o 310.9212 14.24677 2328.671       211.2124 2165.870       303.0619 2482.425       294.5200 298.3862 21.38621 320.0346 19.33931 -21.64838      28.83364 
1 1 1 -1  2   20 o 453.9143 17.25215 4977.592       373.7097 4954.386       531.9835 5000.202       525.0945 450.3408 24.80442 452.5971 24.35680 -2.256348      34.76367 
1 1 1 -1  2   21 o 408.2209 16.03975 4027.333       312.4318 4269.196       447.1520 3796.622       436.7231 418.1681 22.44867 393.9612 23.29092 24.20688       32.34826 
1 1 1 -1  2   22 o 258.1299 14.30905 1611.804       175.8956 1792.271       253.0029 1442.971       244.7120 270.8622 19.67155 242.4145 21.33224 28.44777       29.01783 
1 1 1 -1  2   23 o 362.0867 15.31337 3176.936       264.4905 3228.073       379.6729 3128.722       368.6623 362.4098 22.01685 356.9061 21.70827 5.503693       30.91909 
1 1 1 -1  2   24 o 250.7802 15.19085 1529.388       181.2768 1710.287       300.0035 1425.354       227.5074 261.9358 24.23109 240.5779 19.95974 21.35789       31.39326 
1 1 1 -1  2   25 f 406.0560 16.22644 4017.906       314.3707 4418.785       452.3015 3643.256       437.2548 422.2158 22.48819 382.2940 24.04552 39.92184       32.92273 
1 1 1 -1  2   26 o 358.6615 15.22530 3132.608       260.4773 3690.194       378.3343 2630.123       359.1546 386.4676 20.55031 324.5677 23.30060 61.89981       31.06821 
1 1 1 -1  2   27 o 363.1038 13.72980 3203.206       237.9141 2955.494       389.0695 3351.153       300.6820 343.2295 23.85867 369.8053 17.05284 -26.57578      29.32636 
1 1 1 -1  2   28 o 374.1337 14.73646 3413.753       263.0740 3961.875       373.1255 2871.946       370.9696 400.1180 19.56488 338.2454 23.07850 61.87265       30.25560 
1 1 1 -1  2   29 o 251.8149 15.01589 1553.998       179.9550 1842.720       271.9276 1329.029       240.0355 271.1193 21.14612 229.4880 22.15301 41.63129       30.62539 
1 1 1 -1  2   30 o 99.93591 26.14347 264.8613       126.3178 427.9513       210.4406 173.0017       157.9349 124.1932 34.30753 85.21587 30.54148 38.97732       45.93243 
1 1 1 -1  2   31 o 68.17538 26.89759 79.52300       129.2334 251.3114       241.3295 10.45279       153.0237 100.9129 37.50287 64.07954 27.58936 36.83337       46.55790 
1 1 1 -1  2   32 o 59.52782 27.13935 -74.26496      170.7459 70.86899       224.2241 -274.5870      263.4282 79.93707 33.87546 63.86737 30.54057 16.06969       45.61002 
1 1 1 -1  2   33 o 81.45286 27.22244 172.8596       124.5229 157.2856       218.9050 180.3099       151.4057 86.67286 34.74032 84.17292 29.93274 2.499939       45.85694 
1 1 1 -1  2   34 o 77.47903 30.49092 127.1369       165.6965 274.0284       222.3814 -56.19453      248.4382 99.07840 36.14047 71.94410 32.77555 27.13430       48.78904 
1 1 1 -1  2   35 o 185.3556 18.04585 882.0457       157.8936 1196.617       264.7477 708.3920       196.7048 207.5590 27.34427 159.6925 26.70688 47.86647       38.22259 
1 1 1 -1  2   36 o 150.3041 27.21586 650.3187       188.3712 644.2349       255.1818 657.6036       279.2344 138.3760 37.60072 136.4837 40.13182 1.892258       54.99434 
1 1 1 -1  2   37 o 67.61794 27.41173 101.0335       137.9886 -11.29737      239.4270 156.9015       168.8516 68.79665 31.65215 76.84178 30.60769 -8.045135      44.03055 
1 1 1 -1  2   38 o 82.69357 33.13924 227.0748       199.1546 156.6290       274.2496 305.6695       289.6776 78.64938 35.25954 89.37498 38.20970 -10.72560      51.99247 
1 1 1 -1  3   1  o 274.7826 6.237319 1806.732       81.93993 1825.319       126.2288 1793.196       107.7207 275.8383 9.586411 273.5250 8.246886 2.313385       12.64557 
1 1 1 -1  3   2  o 287.1947 8.309458 1976.847       113.9726 2016.172       132.1782 1862.856       225.0393 289.9184 9.549234 277.5999 17.03837 12.31854       19.53187 
1 1 1 -1  3   3  o 299.7164 8.617892 2153.408       123.3584 2109.197       141.8398 2290.674       249.9277 296.4731 10.02141 307.8920 17.04535 -11.41882      19.77303 
1 1 1 -1  3   4  o 241.0345 8.250818 1393.105       94.93883 1423.599       113.4851 1322.003       173.2928 243.5112 9.767730 233.8506 15.58909 9.660583       18.39642 
1 1 1 -1  3   5  o 226.7580 10.44154 1235.846       112.8934 1156.456       159.2911 1315.966       160.0221 218.6371 15.33637 233.4513 14.40776 -14.81418      21.04252 
1 1 1 -1  3   6  o 612.2758 7.801523 8980.063       228.3678 9009.394       322.1478 8950.435       323.7800 612.6443 10.99862 610.6151 11.09109 2.029236       15.61992 
1 1 1 -1  3   7  o 401.6391 15.06742 3896.250       288.8102 3848.242       407.9095 3944.508       408.9710 397.0177 21.57149 402.0503 21.35326 -5.032593      30.35277 
1 1 1 -1  3   8  o 74.27829 10.59015 135.2223       36.54355 104.8225       50.24715 169.3560       53.24369 64.56917 16.28272 82.68144 13.96647 -18.11227      21.45202 
1 1 1 -1  3   9  f 356.9563 9.377299 3062.088       159.8913 3115.295       183.2364 2892.277       327.3494 359.7673 10.66501 343.6773 20.00943 16.08994       22.67421 
1 1 1 -1  3   10 o 358.7301 14.01835 3112.277       239.9585 3089.510       339.3467 3135.046       339.3585 355.2691 20.06069 357.9483 19.90876 -2.679199      28.26288 
1 1 1 -1  3   11 o 239.8335 11.17961 1385.761       127.8345 1606.404       181.4295 1168.223       180.1480 257.5382 14.79755 218.9118 17.35474 38.62639       22.80690 
1 1 1 -1  3   12 o 99.05856 11.80883 239.0371       54.82526 192.7143       76.53333 287.8660       78.57629 87.59056 18.83614 108.1723 15.64790 -20.58176      24.48789 
1 1 1 -1  3   13 o 404.3864 15.27058 3940.586       294.6996 4228.592       417.2684 3653.957       416.2696 417.4671 20.97386 387.5320 22.56533 29.93512       30.80742 
1 1 1 -1  3   14 o 308.6888 10.36609 2286.300       152.7663 2318.447       270.6932 2271.276       185.0515 309.6366 18.36846 307.3971 12.61853 2.239471       22.28514 
1 1 1 -1  3   15 o 463.9494 16.99035 5186.160       376.2245 5521.656       532.7075 4852.286       531.4184 477.0750 23.42739 446.6957 24.98333 30.37927       34.24923 
1 1 1 -1  3   16 o 203.5522 13.37257 998.8358       129.4157 1080.612       188.1071 925.3420       178.3272 210.9176 18.85310 194.9542 19.38947 15.96339       27.04424 
1 1 1 -1  3   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  3   18 o 149.9258 17.34575 548.6256       122.0398 259.4115       172.5644 838.0136       172.6163 102.8128 31.84227 185.2576 19.79579 -82.44482      37.49405 
1 1 1 -1  3   19 o 145.5734 21.22929 523.4732       143.4020 491.8096       265.2695 536.5472       170.4557 138.3718 38.62988 146.5077 25.24689 -8.135910      46.14838 
1 1 1 -1  3   20 o 150.6679 20.52850 559.8030       144.0299 781.8485       265.6561 467.3611       171.4088 175.1754 32.92890 135.8836 27.33305 39.29189       42.79495 
1 1 1 -1  3   21 o 349.6663 14.10906 2950.154       235.3789 3024.610       321.0133 2863.576       346.1593 352.7025 19.10869 342.4747 21.24629 10.22784       28.57528 
1 1 1 -1  3   22 o 358.5471 12.64039 3099.385       216.3391 3288.239       330.9175 2958.424       285.8959 367.4200 18.90213 349.0284 17.18606 18.39163       25.54704 
1 1 1 -1  3   23 o 247.7100 15.01440 1489.734       176.9766 2348.729       302.2367 1041.525       218.3193 309.3375 20.55306 204.7878 22.67834 104.5497       30.60613 
1 1 1 -1  3   24 o 239.7918 15.69112 1401.270       178.8974 1433.252       306.9878 1384.824       220.1405 237.9716 27.48748 237.1187 19.59369 0.8528442      33.75610 
1 1 1 -1  3   25 o 358.8771 15.29808 3134.713       261.8748 3501.823       381.2312 2806.727       360.3445 376.2599 21.27973 336.0258 22.56114 40.23404       31.01341 
1 1 1 -1  3   26 o 236.8580 16.09397 1373.143       181.1642 1949.191       255.1943 787.8796       257.2276 281.1201 19.10107 172.6347 32.35448 108.4854       37.57211 
1 1 1 -1  3   27 o 174.8369 16.91208 754.2990       139.6010 813.3912       218.8050 713.7310       181.2944 177.7839 26.55559 167.7454 23.22874 10.03851       35.28135 
1 1 1 -1  3   28 o 51.83760 23.07221 -33.92093      115.2071 118.2723       191.4750 -120.2830      144.2368 82.33498 32.65925 51.31060 23.93661 31.02439       40.49183 
1 1 1 -1  3   29 o 53.17554 24.81477 -126.0502      155.2198 -263.6340      198.5147 90.39425       248.9902 54.05780 26.02211 86.09971 36.04555 -32.04191      44.45708 
1 1 1 -1  3   30 o 263.6220 17.37489 1721.323       217.7629 1553.229       381.4432 1802.596       265.2329 238.7889 34.40376 267.7566 20.88456 -28.96774      40.24654 
1 1 1 -1  3   31 o 55.99060 24.59800 -16.44084      126.8889 -383.7674      217.5574 172.9335       156.2098 52.16581 25.58405 84.74029 30.37384 -32.57448      39.71290 
1 1 1 -1  3   32 f 55.35078 25.98057 -142.8654      174.3300 -228.3266      230.5623 -28.79104      266.3777 60.66500 28.88769 77.41943 34.72574 -16.75443      45.17051 
1 1 1 -1  3   33 o 158.1362 19.95539 642.1740       147.5162 686.4119       255.9310 620.1650       180.5198 152.8953 35.66850 152.0399 25.75302 0.8553772      43.99386 
1 1 1 -1  3   34 o 88.63797 35.10427 185.7134       220.8922 432.4759       414.7637 88.01138       260.9835 116.9612 47.48421 83.24281 35.93652 33.71837       59.54985 
1 1 1 -1  3   35 o 87.33019 36.40898 174.8315       252.4695 174.8315       252.4695 0.000000       0.000000 87.33019 36.40898 ?        ?        0.000000       36.40898 
1 1 1 -1  3   36 f 125.1410 25.54026 447.4137       147.6257 515.2319       273.0254 419.3948       175.4913 118.9532 40.31199 116.4527 30.98175 2.500519       50.84216 
1 1 1 -1  3   37 o 48.11062 22.60910 -87.88370      132.7046 -126.9936      262.8039 -74.49841      153.7455 64.73335 30.82960 52.94741 24.70445 11.78593       39.50663 
1 1 1 -1  3   38 o 54.91520 25.30845 -29.17136      153.9904 -15.97562      464.1742 -30.80328      163.2349 78.03377 38.07813 56.11515 25.93114 21.91861       46.06916 
1 1 1 -1  4   1  o 483.5527 9.333210 5604.689       215.7661 0.000000       0.000000 5604.689       215.7661 ?        ?        483.5527 9.333210 0.000000       9.333210 
1 1 1 -1  4   2  o 820.0482 28.10859 16501.23       1100.384 16655.06       1556.055 16347.35       1556.301 813.0599 40.15500 805.0776 40.56479 7.982239       57.07824 
1 1 1 -1  4   3  o 314.3022 7.016016 2365.334       105.4257 2364.455       148.7225 2366.222       149.4691 313.8288 9.924807 313.9398 9.971206 -0.1110840     14.06864 
1 1 1 -1  4   4  o 463.1541 16.72166 5186.147       369.6578 5017.110       522.4446 5355.613       523.1060 452.7432 24.22502 468.1487 23.44672 -15.40549      33.71350 
1 1 1 -1  4   5  o 436.2444 9.243641 4564.739       192.7886 4623.304       212.4412 4291.414       458.9438 438.8851 10.12464 418.7098 23.01503 20.17529       25.14359 
1 1 1 -1  4   6  o 546.1451 9.948313 7162.125       259.7561 6861.661       691.6519 7211.462       280.2725 526.0987 27.59517 547.8306 10.70104 -21.73187      29.59739 
1 1 1 -1  4   7  o 147.4309 8.484171 523.1905       59.54814 505.4612       81.75488 543.2255       86.90881 144.4076 11.94858 149.6887 12.25122 -5.281021      17.11318 
1 1 1 -1  4   8  o 147.3550 9.656048 523.8765       67.65085 541.0560       95.32991 506.4476       96.01930 149.1157 13.51878 144.1112 14.11738 5.004517       19.54630 
1 1 1 -1  4   9  o 186.4229 10.14952 837.6198       90.11812 717.4431       126.6034 961.0508       128.3062 171.4828 15.61350 199.1165 13.55910 -27.63364      20.67923 
1 1 1 -1  4   10 o 128.4568 10.95465 399.4274       66.63525 469.3478       89.93188 314.3099       99.22492 138.8717 13.72466 112.2405 19.17948 26.63116       23.58429 
1 1 1 -1  4   11 o 470.4308 17.19521 5354.910       386.0826 5622.228       545.7418 5087.079       546.2651 479.3800 23.88742 455.3514 25.19092 24.02853       34.71587 
1 1 1 -1  4   12 o 690.1449 11.00480 11426.63       363.1039 11500.45       385.8510 10855.31       1073.395 692.2189 11.65918 661.8047 34.03947 30.41412       35.98085 
1 1 1 -1  4   13 o 336.9301 13.52582 2730.386       217.4344 2987.319       307.5612 2473.661       307.4362 351.5672 18.36212 319.4372 20.23480 32.13007       27.32425 
1 1 1 -1  4   14 o 256.0833 11.82971 1576.019       144.4404 1563.574       203.7526 1588.590       204.7905 254.3714 16.84928 256.4152 16.79793 -2.043793      23.79220 
1 1 1 -1  4   15 o 250.1794 10.73872 1502.937       128.1445 1555.574       168.0347 1429.777       198.1020 254.1530 13.88186 243.1405 17.15218 11.01248       22.06588 
1 1 1 -1  4   16 o 509.9539 18.63196 6277.265       453.4895 6024.597       640.5755 6531.127       642.0891 496.9001 27.06673 517.8168 26.01984 -20.91675      37.54517 
1 1 1 -1  4   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  4   18 o 299.6304 13.89296 2162.198       198.4746 1977.994       286.9533 2331.144       274.8112 285.1178 21.20306 310.2448 18.61330 -25.12698      28.21391 
1 1 1 -1  4   19 o 299.1246 14.28128 2157.083       203.6438 2337.088       293.9185 1990.890       282.4174 310.1740 19.92583 285.9703 20.79894 24.20374       28.80338 
1 1 1 -1  4   20 o 110.8738 23.07100 310.1038       118.3079 584.6481       170.9899 57.96972       163.8627 153.0560 24.16874 73.32127 29.81697 79.73478       38.38202 
1 1 1 -1  4   21 o 336.1115 15.16142 2732.218       243.0033 2680.077       345.5189 2783.250       341.8279 330.7812 21.97312 337.3550 21.30274 -6.573853      30.60432 
1 1 1 -1  4   22 o 42.31108 20.07923 -130.7194      109.5110 -133.4275      157.4687 -128.1828      152.3994 54.05965 25.14900 53.27886 24.77055 0.7807884      35.29947 
1 1 1 -1  4   23 o 45.79226 21.93429 -184.7401      137.1322 -196.8467      162.2827 -154.5071      256.4494 50.92214 24.24473 71.50714 32.84746 -20.58500      40.82600 
1 1 1 -1  4   24 o 134.6378 30.55603 476.2850       192.1647 364.5591       291.9498 561.6908       255.2554 119.7993 41.64841 144.2593 36.87443 -24.46004      55.62655 
1 1 1 -1  4   25 o 263.9543 15.63924 1700.817       196.4725 1936.880       323.3934 1562.712       247.3551 277.6256 24.61982 250.9668 20.80233 26.65883       32.23155 
1 1 1 -1  4   26 o 472.4525 14.27427 5425.142       322.0491 5741.366       399.8467 4841.164       543.3692 484.1794 17.30125 437.9217 26.07116 46.25769       31.28960 
1 1 1 -1  4   27 o 145.0806 19.26870 527.1661       130.3489 773.3361       212.9951 379.7658       164.8166 173.0896 26.58788 119.5748 29.10825 53.51474       39.42342 
1 1 1 -1  4   28 o 268.9030 15.93768 1775.486       203.9749 1826.655       297.4458 1730.063       280.2496 268.7538 23.38218 261.9784 22.59604 6.775482       32.51626 
1 1 1 -1  4   29 o 302.3827 15.24241 2243.516       219.6424 2687.810       331.6564 1896.424       293.1398 327.1102 21.32355 273.7320 22.60085 53.37827       31.07237 
1 1 1 -1  4   30 o 60.94861 25.56799 29.16115       125.6669 -112.7153      210.1283 108.1597       156.7974 64.46271 29.65605 75.96285 29.73051 -11.50014      41.99268 
1 1 1 -1  4   31 o 239.4837 16.42182 1420.429       186.8826 1580.016       290.3288 1307.524       244.2005 247.2556 24.89912 226.0558 22.91159 21.19972       33.83648 
1 1 1 -1  4   32 o 209.7304 20.85298 1125.135       206.3252 1109.270       280.3804 1143.874       304.7117 201.5581 30.01018 202.5868 32.56410 -1.028732      44.28354 
1 1 1 -1  4   33 f 64.13140 27.62274 22.74375       153.5123 -36.60350      403.2208 32.80396       166.0145 89.44267 41.12363 67.15599 28.82269 22.28668       50.21853 
1 1 1 -1  4   34 o 146.8916 26.29639 590.7731       177.8908 1224.847       423.7627 455.1320       195.9966 189.0854 47.06316 124.3563 32.58156 64.72909       57.24071 
1 1 1 -1  4   35 o 84.56543 32.67710 191.5281       187.5346 471.7737       251.9447 -156.6564      280.8281 118.4332 38.68689 68.11550 32.27505 50.31772       50.38208 
1 1 1 -1  4   36 o 166.9240 20.97805 752.6376       163.7259 917.4426       286.3610 672.6001       199.5610 165.9833 37.02816 150.4872 28.78608 15.49608       46.90120 
1 1 1 -1  4   37 o 79.99681 29.52903 193.6185       149.1608 -420.9706      270.8927 461.0334       178.6889 54.42239 27.02874 119.4163 31.02262 -64.99387      41.14555 
1 1 1 -1  4   38 o 78.80599 30.89562 204.6651       169.5687 688.3253       461.9896 129.3625       182.2918 103.1272 46.03183 70.94403 30.32003 32.18317       55.12017 
1 1 1 -1  5   1  o 297.5416 8.375391 2124.656       119.0224 0.000000       0.000000 2124.656       119.0224 ?        ?        297.5416 8.375391 0.000000       8.375391 
1 1 1 -1  5   2  o 230.1412 6.133789 1269.204       67.42861 1138.465       104.5522 1362.307       88.22923 217.4903 10.08250 238.2677 7.755647 -20.77740      12.72033 
1 1 1 -1  5   3  o 270.6174 8.461982 1758.458       109.3458 1706.116       206.7778 1778.776       128.8329 264.9255 16.40619 271.9508 9.925610 -7.025269      19.17501 
1 1 1 -1  5   4  o 105.0743 8.218603 266.4195       40.95773 247.5916       56.31235 287.5667       59.68023 100.7243 11.92499 108.6973 11.66663 -7.972908      16.68280 
1 1 1 -1  5   5  o 211.3427 7.357437 1072.025       74.22653 1066.136       102.6741 1078.473       107.4317 210.3643 10.23970 211.5125 10.65835 -1.148270      14.78012 
1 1 1 -1  5   6  f 217.0564 10.31244 1135.149       106.7084 1076.028       150.1189 1195.532       151.7106 210.3789 15.02425 221.9603 14.37388 -11.58141      20.79271 
1 1 1 -1  5   7  o 251.5659 11.32460 1525.875       135.8527 1605.897       191.0607 1444.046       193.2067 257.1146 15.61669 243.4820 16.69876 13.63255       22.86328 
1 1 1 -1  5   8  o 195.2860 10.14684 918.5197       94.40999 917.5767       132.7181 919.4857       134.3282 194.4550 14.37757 194.6251 14.54155 -0.1701202     20.44924 
1 1 1 -1  5   9  o 76.05809 11.16619 141.9078       39.39485 120.2864       53.01336 168.5717       58.87144 69.19225 16.29643 82.25205 15.54030 -13.05981      22.51831 
1 1 1 -1  5   10 o 178.4878 10.22872 766.7535       86.91924 814.3638       121.0458 716.0720       124.8890 183.4516 13.90485 171.7131 15.37547 11.73848       20.73041 
1 1 1 -1  5   11 o 265.6018 10.21101 1693.804       129.4191 1880.571       218.8290 1593.337       160.4967 278.9299 16.48322 257.2197 13.09438 21.71024       21.05135 
1 1 1 -1  5   12 f 138.9190 11.71661 466.1395       77.09177 551.6247       101.3500 348.7712       118.7555 150.8736 14.21850 118.2845 21.80302 32.58910       26.02955 
1 1 1 -1  5   13 o 700.2514 8.547614 11741.50       286.1589 12149.55       402.1959 11323.18       407.2306 711.7648 11.81933 687.0209 12.39830 24.74384       17.12934 
1 1 1 -1  5   14 o 375.0789 10.17798 3373.596       182.3437 2908.399       344.1631 3555.140       214.9997 346.4364 20.87624 384.8539 11.69871 -38.41751      23.93067 
1 1 1 -1  5   15 o 54.17077 17.47126 68.64745       51.47634 52.47011       70.39278 87.24214       75.46911 53.94307 20.21319 62.42167 21.19380 -8.478603      29.28737 
1 1 1 -1  5   16 o 410.5622 16.01299 4061.921       313.7085 3828.261       440.8326 4301.653       446.5237 396.7624 23.34307 420.9707 22.26545 -24.20831      32.25909 
1 1 1 -1  5   17 o 777.8932 13.28295 14535.15       493.9952 14277.09       524.0838 16590.99       1479.216 770.6840 14.22381 816.2684 38.00881 -45.58441      40.58308 
1 1 1 -1  5   18 f 350.9426 13.97514 2965.913       234.0083 2912.923       352.2562 3007.771       313.0736 346.0822 21.39437 352.4093 18.64831 -6.327148      28.38095 
1 1 1 -1  5   19 o 349.6458 14.98113 2949.947       249.8466 2865.001       352.7959 3035.415       353.8795 342.8286 21.63509 353.0915 21.05898 -10.26291      30.19202 
1 1 1 -1  5   20 o 430.4133 16.74822 4484.906       343.9799 4917.003       487.6273 4056.918       485.3029 448.3181 22.82575 406.1266 25.11733 42.19147       33.93958 
1 1 1 -1  5   21 o 119.3983 24.06501 361.6968       132.6196 51.12642       251.1647 481.7587       156.1640 85.99169 36.11463 138.1302 24.54682 -52.13856      43.66707 
1 1 1 -1  5   22 o 238.4532 14.35892 1379.154       162.9357 1381.737       232.7207 1376.670       228.1977 236.8322 20.76335 236.5220 20.37900 0.3101501      29.09331 
1 1 1 -1  5   23 o 301.5686 14.82092 2208.961       213.0283 2674.768       301.5164 1744.689       301.0193 330.2009 19.18218 264.4258 24.07496 65.77512       30.78246 
1 1 1 -1  5   24 o 463.8628 17.99577 5268.801       398.3305 5878.361       563.9030 4661.735       562.7476 485.2411 24.38555 429.4640 27.55343 55.77713       36.79466 
1 1 1 -1  5   25 o 150.2203 22.89097 572.0437       159.2115 929.2696       287.8192 414.5412       191.1138 187.2056 33.38275 124.6132 31.93548 62.59249       46.19830 
1 1 1 -1  5   26 o 189.4069 19.58734 893.0298       174.8135 265.8777       305.0849 1199.596       213.3028 108.7761 41.77098 219.3679 20.57860 -110.5918      46.56494 
1 1 1 -1  5   27 o 120.6684 34.26835 396.5313       206.9050 273.1988       305.6108 500.8999       281.1350 108.8701 41.80700 133.4580 40.51526 -24.58783      58.21780 
1 1 1 -1  5   28 o 65.79958 29.71169 -68.90404      198.7286 296.0605       306.4595 -333.7405      261.0578 110.1502 41.97211 61.83303 29.78421 48.31715       51.46608 
1 1 1 -1  5   29 o 340.7395 15.57457 2853.613       253.0446 3314.517       374.4073 2466.053       343.3273 362.7028 21.69070 311.5224 23.21910 51.18036       31.77441 
1 1 1 -1  5   30 o 209.9354 18.62645 1102.013       185.0110 1394.165       354.4560 992.6145       216.9017 225.8708 33.86694 196.6215 23.54143 29.24936       41.24522 
1 1 1 -1  5   31 o 56.32082 25.29506 -43.70916      141.8489 -568.4749      349.3810 59.86392       155.2173 65.40723 32.14722 69.34254 28.69740 -3.935310      43.09274 
1 1 1 -1  5   32 o 136.6928 35.58110 549.8220       234.7512 469.8825       392.6953 594.2746       292.8354 122.4341 47.29226 137.9781 41.23152 -15.54396      62.74230 
1 1 1 -1  5   33 o 159.0746 21.44987 660.4677       158.9767 944.1266       254.7395 479.5155       203.4604 183.9164 30.00480 128.0029 33.02734 55.91345       44.62167 
1 1 1 -1  5   34 o 158.2627 22.08778 663.5582       162.5779 732.0165       263.5354 621.4966       206.5705 154.3047 36.32918 146.9732 30.40203 7.331436       47.37185 
1 1 1 -1  5   35 f 110.0125 28.63331 359.1915       152.0343 45.30699       249.1228 545.4736       191.9172 75.30914 33.69545 134.7183 30.50856 -59.40916      45.45498 
1 1 1 -1  5   36 o 71.11636 30.87002 79.57777       194.7123 267.6603       252.6811 -195.3704      305.5090 91.30539 37.06470 66.84674 32.20456 24.45865       49.10118 
1 1 1 -1  5   37 o 85.97412 30.74421 242.6524       159.9439 296.6828       270.5054 213.6090       198.3265 89.87256 37.59402 81.93716 32.98902 7.935402       50.01585 
1 1 1 -1  5   38 o 45.50164 22.31448 -214.1432      165.4343 -31.27579      449.6329 -242.7747      177.9146 74.78860 36.69970 46.27398 22.78197 28.51463       43.19590 
1 1 1 -1  6   1  o 394.8495 7.125328 3736.543       134.5070 0.000000       0.000000 3736.543       134.5070 ?        ?        394.8495 7.125328 0.000000       7.125328 
1 1 1 -1  6   2  o 258.4804 11.20264 1610.326       138.1096 0.000000       0.000000 1610.326       138.1096 ?        ?        258.4804 11.20264 0.000000       11.20264 
1 1 1 -1  6   3  o 78.51198 6.490842 148.6675       24.14632 144.5126       43.52071 150.5153       29.02313 76.51643 12.31472 78.84749 7.801397 -2.331062      14.57786 
1 1 1 -1  6   4  o 109.9109 8.406539 291.4608       43.83875 292.6027       59.26108 290.0806       65.15139 109.6943 11.46927 108.9984 12.74263 0.6958389      17.14406 
1 1 1 -1  6   5  o 518.6825 18.54963 6542.420       459.2460 6502.913       649.1046 6582.018       649.8398 512.5534 26.57990 515.7597 26.44251 -3.206299      37.49263 
1 1 1 -1  6   6  o 137.3422 9.110397 454.5044       59.48233 415.9098       82.59170 496.0955       85.73793 130.7250 13.40473 143.0121 12.67082 -12.28717      18.44550 
1 1 1 -1  6   7  o 155.4188 9.388278 581.4620       69.43334 545.9450       96.65623 619.3319       99.80669 149.9846 13.62817 159.8974 13.17272 -9.912750      18.95383 
1 1 1 -1  6   8  o 68.62233 12.85389 116.8264       40.62118 108.6497       46.45293 143.3968       83.73781 65.86993 15.07732 75.97734 21.87312 -10.10741      26.56613 
1 1 1 -1  6   9  o 160.0416 9.788526 616.2529       74.53773 598.8279       103.4392 635.0739       107.5027 157.2303 13.90385 161.9364 14.02376 -4.706055      19.74798 
1 1 1 -1  6   10 o 259.0949 11.62478 1613.476       143.6298 1704.763       201.9970 1520.125       204.2684 265.7112 15.97486 250.6575 17.14890 15.05373       23.43674 
1 1 1 -1  6   11 o 320.4035 10.03778 2462.239       153.5704 2454.250       279.5958 2465.690       183.7730 318.6216 18.43338 320.3959 12.01868 -1.774292      22.00542 
1 1 1 -1  6   12 f 64.54176 14.97609 104.0957       45.31664 101.3023       58.42625 108.3136       71.79455 64.05919 18.21609 66.94249 20.50434 -2.883301      27.42725 
1 1 1 -1  6   13 o 501.9938 10.36530 6039.184       248.7647 6079.540       272.9337 5841.124       604.6537 503.5428 11.33737 489.7908 25.91409 13.75204       28.28562 
1 1 1 -1  6   14 o 440.6609 16.45519 4679.217       346.0607 4840.735       488.4926 4516.488       490.3200 446.5400 22.95883 431.0114 23.88826 15.52859       33.13241 
1 1 1 -1  6   15 o 109.9419 18.55243 299.3047       94.04829 204.0941       121.7509 440.1744       148.0942 90.68928 26.45388 132.7092 24.23420 -42.01997      35.87623 
1 1 1 -1  6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  6   17 o 391.5690 15.66768 3697.892       292.7141 3493.190       408.9560 3912.930       419.1527 378.7141 22.69097 401.1313 21.93987 -22.41714      31.56324 
1 1 1 -1  6   18 o 358.5635 13.98196 3098.122       239.2264 3188.824       365.0486 3029.849       316.7115 361.9268 21.18974 353.4405 18.81075 8.486328       28.33460 
1 1 1 -1  6   19 o 409.0853 16.27703 4048.257       317.7091 3996.041       445.2759 4102.409       453.4528 404.0068 23.15016 409.3158 23.26793 -5.308929      32.82265 
1 1 1 -1  6   20 o 217.5566 16.06619 1150.724       165.9276 972.1244       251.5452 1288.295       220.7696 196.5984 27.51497 229.1420 20.36426 -32.54366      34.23123 
1 1 1 -1  6   21 o 143.9628 18.15316 511.4708       122.1705 490.6386       167.1776 535.3470       178.9754 138.7411 26.16291 144.8687 26.82887 -6.127625      37.47381 
1 1 1 -1  6   22 o 61.28019 27.59023 -70.32272      169.9279 -124.4308      238.4096 -14.45026      242.2656 70.20105 32.02983 78.58462 34.26863 -8.383568      46.90682 
1 1 1 -1  6   23 o 209.5206 16.82244 1076.250       167.0944 1347.563       212.5261 637.0276       270.4081 233.7608 19.18525 153.3007 37.26333 80.46007       41.91217 
1 1 1 -1  6   24 o 119.0689 25.68849 367.9093       141.9339 297.4789       169.4016 533.8223       260.0025 106.4069 31.25011 139.5551 37.96803 -33.14826      49.17459 
1 1 1 -1  6   25 o 65.00750 29.28944 -70.71354      191.8962 6.705360       267.8547 -152.3493      275.0529 82.90251 36.09402 73.62531 33.89250 9.277206       49.51242 
1 1 1 -1  6   26 o 412.2434 13.23901 4128.752       260.5877 4332.029       365.3552 3918.261       371.7823 419.2607 18.27119 397.7917 19.60944 21.46899       26.80236 
1 1 1 -1  6   27 o 187.6463 20.47688 884.5317       180.7238 905.4360       219.3060 840.2948       319.0259 187.6961 25.06518 172.2793 39.56817 15.41682       46.83912 
1 1 1 -1  6   28 o 178.5531 21.53771 809.0469       180.1454 973.6805       217.5875 450.2791       321.2044 194.8719 23.85143 125.6747 43.68561 69.19724       49.77272 
1 1 1 -1  6   29 o 206.5097 17.36351 1060.495       169.8435 977.2999       241.1889 1142.332       239.2133 193.1594 26.84188 210.6973 24.18549 -17.53793      36.13066 
1 1 1 -1  6   30 o 126.8951 24.08338 422.3370       140.7639 225.4777       212.9164 575.1908       187.6158 95.54140 35.27754 146.6974 27.76748 -51.15602      44.89474 
1 1 1 -1  6   31 o 94.18605 28.45520 241.4620       138.9097 405.6049       216.9973 127.4977       180.8122 118.2297 35.53100 80.06339 31.74369 38.16628       47.64571 
1 1 1 -1  6   32 o 84.12358 28.92203 186.4039       140.6318 306.1931       223.8958 108.3497       180.7321 103.3638 36.43343 77.07672 31.32529 26.28709       48.04861 
1 1 1 -1  6   33 o 75.22353 30.84238 101.0940       177.0951 184.8426       220.8866 -49.61488      296.3124 88.15200 35.04200 77.49275 35.48952 10.65925       49.87432 
1 1 1 -1  6   34 o 77.45913 28.62707 155.1405       140.2618 294.9909       231.4416 73.96085       176.3328 98.51907 36.70464 71.01675 30.06554 27.50232       47.44647 
1 1 1 -1  6   35 o 60.51593 26.49483 23.53564       146.0801 -86.13136      233.8875 93.67799       187.0506 64.63067 30.25828 72.31261 30.80329 -7.681938      43.17877 
1 1 1 -1  6   36 o 71.97646 29.01161 128.5921       153.5753 368.8677       248.8286 -19.25400      195.1868 100.2951 37.91202 62.83353 28.78642 37.46157       47.60230 
1 1 1 -1  6   37 o 73.27272 33.66421 85.89716       269.5186 -391.5094      440.3990 371.7653       340.7886 67.61280 33.72266 91.91338 40.34785 -24.30058      52.58485 
1 1 1 -1  7   1  o 220.8465 7.894007 1169.947       83.21415 0.000000       0.000000 1169.947       83.21415 ?        ?        220.8465 7.894007 0.000000       7.894007 
1 1 1 -1  7   2  o 463.1577 9.284923 5143.426       205.5964 0.000000       0.000000 5143.426       205.5964 ?        ?        463.1577 9.284923 0.000000       9.284923 
1 1 1 -1  7   3  o 62.17567 9.992310 95.04331       28.69648 0.000000       0.000000 95.04331       28.69648 ?        ?        62.17567 9.992310 0.000000       9.992310 
1 1 1 -1  7   4  o 220.5726 7.027008 1166.059       74.00752 1291.362       105.3128 1043.804       104.0239 231.8891 9.519564 208.3293 10.47782 23.55980       14.15651 
1 1 1 -1  7   5  o 226.1519 10.57849 1229.429       114.0583 1233.922       160.5760 1224.854       162.0396 225.9420 14.94942 225.0737 15.14693 0.8683167      21.28179 
1 1 1 -1  7   6  o 186.0255 8.546371 830.6754       75.80548 888.6106       96.38677 736.7338       122.7368 192.2167 10.52882 174.3905 14.86272 17.82628       18.21419 
1 1 1 -1  7   7  o 303.2964 12.56910 2211.793       181.8602 2372.487       256.3603 2049.005       258.0260 313.3673 17.17722 290.8676 18.65326 22.49963       25.35747 
1 1 1 -1  7   8  o 458.5136 9.710545 5037.143       212.8650 4885.310       506.2502 5069.752       234.6124 448.3986 23.69941 459.8854 10.67070 -11.48679      25.99088 
1 1 1 -1  7   9  o 294.8736 9.750896 2085.359       137.2749 1981.753       236.7402 2137.841       168.4933 286.4103 17.37088 298.3349 11.83677 -11.92459      21.02038 
1 1 1 -1  7   10 o 463.4568 10.25329 5146.941       227.1856 5135.180       523.9073 5149.665       252.1237 459.8676 23.91154 463.4495 11.37897 -3.581909      26.48099 
1 1 1 -1  7   11 o 222.8341 10.90183 1193.109       115.7895 1114.528       160.6760 1278.008       167.0099 214.7339 15.76079 230.0946 15.26832 -15.36064      21.94365 
1 1 1 -1  7   12 o 377.9508 10.20472 3425.785       184.2244 3053.531       349.0848 3569.480       216.8854 354.9887 20.65801 385.5959 11.77875 -30.60718      23.78008 
1 1 1 -1  7   13 o 508.9991 18.44216 6254.453       448.0418 6464.103       631.9469 6042.558       635.3202 515.0994 25.74303 497.5838 26.80552 17.51563       37.16504 
1 1 1 -1  7   14 o 460.8004 11.79008 5097.818       259.5261 5210.979       297.7940 4740.447       529.2087 465.5994 13.39204 440.9305 25.20938 24.66895       28.54575 
1 1 1 -1  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  7   16 o 248.8282 14.89222 1495.331       176.3501 1265.760       219.2636 1915.865       296.7627 227.7977 20.34701 280.1177 22.34461 -52.31999      30.22056 
1 1 1 -1  7   17 o 276.8253 14.02221 1848.855       184.9753 1711.038       252.9599 2007.237       271.1784 264.9734 20.11867 287.1723 19.87428 -22.19897      28.27982 
1 1 1 -1  7   18 o 241.9804 13.74238 1414.680       158.3294 1204.169       213.3826 1672.554       236.1706 221.7334 20.35583 261.9828 18.98458 -40.24945      27.83476 
1 1 1 -1  7   19 o 260.0534 14.04965 1635.844       174.0287 1738.224       237.8148 1517.812       255.3470 266.8881 18.75754 248.4260 21.71751 18.46208       28.69661 
1 1 1 -1  7   20 o 329.4163 14.59243 2627.804       229.2461 3066.167       338.7328 2257.341       311.3957 353.8931 20.10327 302.8967 21.64621 50.99646       29.54150 
1 1 1 -1  7   21 o 133.5125 22.80859 450.4993       140.3645 243.9197       228.2437 576.1459       178.0043 102.4909 36.71762 150.4414 25.66919 -47.95044      44.80057 
1 1 1 -1  7   22 o 222.8706 14.55109 1209.376       154.1968 1223.348       211.2376 1193.440       225.6052 222.3564 20.08710 218.9299 21.84573 3.426544       29.67706 
1 1 1 -1  7   23 o 149.7331 21.69391 564.9291       150.7786 520.3856       249.7337 590.4801       189.1427 138.1060 37.05623 151.0870 27.18456 -12.98102      45.95829 
1 1 1 -1  7   24 o 172.8174 18.77800 741.7863       152.6564 836.6085       185.0976 540.1161       269.9396 182.5802 21.62434 139.6519 38.96152 42.92838       44.56021 
1 1 1 -1  7   25 o 178.4535 19.18131 793.5181       161.0823 912.6313       196.6913 550.9199       280.7043 190.3408 22.02014 140.0207 39.96439 50.32008       45.62937 
1 1 1 -1  7   26 o 79.51205 29.12604 140.5188       144.6640 102.0704       169.5298 243.5099       277.4644 77.44523 30.72719 103.6689 39.82875 -26.22366      50.30397 
1 1 1 -1  7   27 o 298.4737 16.19440 2193.333       230.2234 2332.533       311.9070 2026.725       341.2362 304.4619 21.56772 280.7830 25.70490 23.67883       33.55456 
1 1 1 -1  7   28 o 152.9348 24.39565 607.8335       172.3834 555.7484       201.1339 751.9612       334.5817 143.1297 30.33661 158.6010 43.03748 -15.47125      52.65486 
1 1 1 -1  7   29 o 130.0433 28.81029 457.1749       174.4011 277.9215       202.6525 969.0023       342.4363 101.9745 34.72800 182.3904 40.34189 -80.41589      53.23065 
1 1 1 -1  7   30 o 101.5202 32.37665 283.3288       177.1355 148.0618       328.7986 338.6421       210.2561 96.50354 40.96382 109.6066 35.30611 -13.10303      54.07916 
1 1 1 -1  7   31 o 89.32176 32.45321 206.8076       179.0698 -237.6664      351.0488 363.1377       208.1928 75.84195 35.97965 111.5129 35.04302 -35.67093      50.22498 
1 1 1 -1  7   32 o 215.4959 20.34696 1197.797       207.1450 1147.059       380.1007 1219.232       247.0562 188.6636 43.08891 213.9366 24.60205 -25.27301      49.61769 
1 1 1 -1  7   33 o 122.9408 30.16969 438.7255       175.9798 712.8990       372.0386 359.6996       199.7377 139.4606 47.05815 108.8435 34.34033 30.61703       58.25571 
1 1 1 -1  7   34 o 106.9010 38.31014 387.9297       248.4937 440.9716       389.0140 351.3680       322.9746 108.5241 45.21583 102.0669 41.72709 6.457184       61.52740 
1 1 1 -1  7   35 o 129.6889 38.36209 603.8555       254.5182 455.9521       401.5801 703.1549       329.0459 104.4210 44.82232 130.4225 44.25431 -26.00153      62.98797 
1 1 1 -1  7   36 o 59.73475 27.30949 -12.36773      174.4564 42.25831       415.0465 -24.08995      192.2657 80.26625 38.36943 61.14934 28.21660 19.11691       47.62761 
1 1 1 -1  7   37 o 63.88412 29.07963 42.10552       195.0573 472.2994       429.7426 -69.51962      218.9058 91.76707 42.28735 59.44192 28.26056 32.32515       50.86137 
1 1 1 -1  8   1  o 586.5251 9.508519 8240.907       266.6293 0.000000       0.000000 8240.907       266.6293 ?        ?        586.5251 9.508519 0.000000       9.508519 
1 1 1 -1  8   2  o 689.8404 10.06902 11402.86       332.0811 0.000000       0.000000 11402.86       332.0811 ?        ?        689.8404 10.06902 0.000000       10.06902 
1 1 1 -1  8   3  o 355.7211 8.825960 3030.343       150.0998 0.000000       0.000000 3030.343       150.0998 ?        ?        355.7211 8.825960 0.000000       8.825960 
1 1 1 -1  8   4  f 196.8030 6.144805 927.5640       57.74518 1081.701       91.82491 826.7324       74.26869 212.3282 9.066618 185.6301 8.390217 26.69814       12.35311 
1 1 1 -1  8   5  o 726.1245 9.800535 12631.43       340.2274 9161.286       1003.364 13082.27       361.6535 609.9088 34.55136 738.8953 10.23768 -128.9866      36.03618 
1 1 1 -1  8   6  o 148.5805 8.835165 530.5154       62.47687 537.1373       82.10970 521.4099       96.28490 149.2258 11.60018 146.7199 13.89199 2.505844       18.09838 
1 1 1 -1  8   7  o 176.7867 9.350546 750.6661       78.74950 700.5799       113.3663 797.3712       109.4729 170.2407 14.05383 181.8698 12.66957 -11.62912      18.92163 
1 1 1 -1  8   8  o 162.6419 9.964232 636.1423       77.10723 666.2025       106.5809 603.1306       111.6906 166.0449 13.54350 157.7334 14.99101 8.311569       20.20289 
1 1 1 -1  8   9  o 203.8474 10.53166 998.5634       102.2906 1017.062       142.2487 978.7542       147.1998 205.2422 14.59200 201.2016 15.42019 4.040573       21.22990 
1 1 1 -1  8   10 o 307.1849 10.10053 2263.727       148.1363 2005.429       244.1500 2414.217       186.3589 287.9915 17.81973 316.9726 12.32106 -28.98111      21.66452 
1 1 1 -1  8   11 o 445.8848 9.941929 4764.401       211.9345 4800.700       235.0934 4606.916       489.6839 447.4563 10.98959 435.3282 23.61674 12.12811       26.04845 
1 1 1 -1  8   12 o 221.4061 10.73998 1178.106       113.3454 1080.096       158.3318 1281.131       162.3322 211.2957 15.78774 230.3708 14.81761 -19.07518      21.65212 
1 1 1 -1  8   13 o 617.0089 12.00988 9136.944       354.2734 9170.581       385.8489 8956.292       894.1883 617.9178 13.06105 603.2971 31.10702 14.62079       33.73778 
1 1 1 -1  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  8   15 o 422.4578 16.17942 4308.458       326.1753 3913.460       452.5470 4735.494       470.5422 400.3156 23.75252 440.9862 22.39180 -40.67059      32.64315 
1 1 1 -1  8   16 o 193.8529 14.65659 910.3856       134.8293 789.1160       173.0066 1097.969       215.1714 179.1923 20.56696 211.4843 21.58355 -32.29195      29.81358 
1 1 1 -1  8   17 o 307.8156 13.89631 2287.849       203.9751 2344.975       262.6430 2201.027       323.7888 310.6685 17.75714 299.3825 22.79312 11.28595       28.89364 
1 1 1 -1  8   18 o 190.6310 17.68671 888.7837       159.3559 909.4907       243.6737 873.3099       210.6438 189.8797 27.65431 187.1673 24.09885 2.712418       36.68127 
1 1 1 -1  8   19 o 163.5493 19.56219 661.1652       149.9286 353.7144       239.6096 858.9960       192.2045 117.5401 37.67374 185.9604 22.04744 -68.42029      43.65090 
1 1 1 -1  8   20 o 194.4363 14.92704 921.1738       137.6972 1007.070       185.5060 815.7743       205.4904 202.0645 19.44228 179.9933 24.51622 22.07124       31.28973 
1 1 1 -1  8   21 o 118.1673 24.74911 359.5733       135.3315 194.1092       155.1357 886.3735       276.8107 89.56310 30.38671 183.7159 32.71526 -94.15279      44.65020 
1 1 1 -1  8   22 o 228.2973 14.53116 1270.574       157.7791 1493.168       214.5343 1008.334       232.8568 246.1876 18.35949 199.4242 24.96895 46.76338       30.99224 
1 1 1 -1  8   23 o 401.5501 13.09624 3911.293       251.0808 4314.401       310.7866 3153.767       426.0401 420.5503 15.48382 353.4549 25.38102 67.09534       29.73121 
1 1 1 -1  8   24 o 195.7472 15.76124 941.1899       146.2548 987.5998       197.1467 884.3857       218.1093 198.4992 21.09686 185.9258 25.18419 12.57338       32.85302 
1 1 1 -1  8   25 o 267.7212 14.38535 1750.912       183.4483 1897.546       225.4786 1463.799       315.5113 277.5377 17.07587 237.4767 28.34904 40.06093       33.09462 
1 1 1 -1  8   26 o 155.6487 21.64715 616.6791       156.7314 577.0698       184.8525 717.9727       295.6086 148.0257 27.11949 158.4515 39.23193 -10.42586      47.69289 
1 1 1 -1  8   27 o 158.1758 22.06898 640.4185       162.3528 826.9086       191.8784 170.4257       304.6097 179.6485 22.85741 97.71577 40.29754 81.93277       46.32875 
1 1 1 -1  8   28 o 151.5041 30.91616 625.5940       216.3430 1017.253       299.0533 195.5700       313.3581 192.1547 33.78559 100.1283 41.03702 92.02641       53.15546 
1 1 1 -1  8   29 o 144.3198 33.73658 586.7783       228.5788 858.8459       308.5913 256.0439       340.2395 171.7828 38.52670 105.9916 43.01586 65.79123       57.74660 
1 1 1 -1  8   30 o 64.75179 28.25078 6.896484       164.8274 59.84549       185.9227 -187.5201      356.2626 73.04105 30.89505 78.76729 37.02491 -5.726242      48.22187 
1 1 1 -1  8   31 o 88.87256 32.32602 208.7200       177.7373 299.7057       202.8501 -92.01337      368.7900 101.8659 34.74387 83.21785 38.63626 18.64804       51.96054 
1 1 1 -1  8   32 o 64.76939 26.54033 65.53203       131.0381 96.89107       184.0379 33.28656       186.6208 75.26215 31.20691 69.44057 30.18150 5.821571       43.41422 
1 1 1 -1  8   33 o 132.4488 24.48137 485.5716       149.3126 354.3771       215.2847 607.1719       207.2635 105.4161 35.79564 142.6381 31.25849 -37.22199      47.52285 
1 1 1 -1  8   34 o 91.13187 29.63528 254.8847       147.9259 435.5405       209.3019 74.58432       209.0959 113.6905 35.04377 72.32369 31.68059 41.36682       47.24114 
1 1 1 -1  8   35 f 164.9617 22.01534 756.9608       169.2961 605.2311       235.5825 918.9982       243.4530 130.8927 36.35307 171.2625 30.86871 -40.36975      47.69091 
1 1 1 -1  8   36 o 69.45952 28.72408 128.1750       155.3451 -143.5515      218.4680 406.0733       220.9351 56.50491 27.22499 100.9417 36.12938 -44.43674      45.23861 
1 1 1 -1  9   1  f 358.0281 13.81332 3081.851       235.9978 0.000000       0.000000 3081.851       235.9978 ?        ?        358.0281 13.81332 0.000000       13.81332 
1 1 1 -1  9   2  o 189.1602 7.501809 857.7698       67.70830 0.000000       0.000000 857.7698       67.70830 ?        ?        189.1602 7.501809 0.000000       7.501809 
1 1 1 -1  9   3  o 119.9487 8.826277 346.3959       50.26078 0.000000       0.000000 346.3959       50.26078 ?        ?        119.9487 8.826277 0.000000       8.826277 
1 1 1 -1  9   4  o 622.9025 7.820236 9288.231       232.8886 0.000000       0.000000 9288.231       232.8886 ?        ?        622.9025 7.820236 0.000000       7.820236 
1 1 1 -1  9   5  o 239.6574 7.272792 1375.934       83.23338 1373.670       174.7893 1376.599       94.65428 238.5655 15.40734 239.6393 8.274198 -1.073822      17.48852 
1 1 1 -1  9   6  o 670.7897 8.079488 10772.82       259.1067 10422.95       361.8037 11141.19       371.2429 659.2833 11.47870 681.6364 11.39192 -22.35315      16.17209 
1 1 1 -1  9   7  o 330.2700 7.811163 2611.350       123.3370 2564.828       167.9087 2665.867       181.7636 326.9209 10.75756 333.2226 11.42634 -6.301697      15.69351 
1 1 1 -1  9   8  o 604.4244 20.95802 8839.509       604.7042 8595.102       852.8397 9086.619       857.5415 592.1627 30.22434 609.2385 29.52941 -17.07581      42.25514 
1 1 1 -1  9   9  o 144.4576 10.69625 503.0278       73.34798 444.0732       93.02398 599.9173       119.2545 135.1484 14.63013 157.0864 16.10704 -21.93799      21.75953 
1 1 1 -1  9   10 o 149.3678 10.57830 537.5879       75.05206 622.2265       103.2373 442.7138       109.3015 160.3725 13.59266 134.4495 17.41287 25.92303       22.09001 
1 1 1 -1  9   11 o 331.8788 9.845613 2642.436       156.0451 2671.622       181.4828 2559.662       305.6274 333.5045 11.39893 324.8577 19.77208 8.646759       22.82259 
1 1 1 -1  9   12 o 186.0319 13.58872 836.2033       120.0241 1037.813       162.2247 592.3679       178.4062 206.8743 16.53986 154.1092 25.07566 52.76511       30.03924 
1 1 1 -1  9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9   14 o 184.0275 19.83164 829.9933       171.7301 985.9989       219.2386 582.2966       276.2531 199.8700 23.38514 149.3923 38.45290 50.47763       45.00545 
1 1 1 -1  9   15 o 410.9985 14.04825 4074.751       275.6334 3998.091       441.1442 4123.845       353.0264 404.0884 22.92881 412.2967 17.95276 -8.208313      29.12099 
1 1 1 -1  9   16 o 235.5871 17.34398 1351.745       193.9784 1329.808       248.4085 1386.025       310.5269 232.1490 22.67016 235.1098 28.18740 -2.960785      36.17272 
1 1 1 -1  9   17 o 203.8466 14.42225 1008.610       139.6471 959.9026       177.6362 1087.415       225.9488 197.7241 19.02620 209.3622 22.94939 -11.63809      29.81058 
1 1 1 -1  9   18 o 92.60883 23.21389 219.3296       102.5706 90.28463       125.6212 477.4399       177.6623 70.45863 26.86646 136.0008 28.24846 -65.54214      38.98438 
1 1 1 -1  9   19 o 213.3547 16.00887 1111.830       162.1036 1052.102       190.1427 1270.738       310.1462 206.4500 19.49532 222.6614 29.88909 -16.21141      35.68509 
1 1 1 -1  9   20 o 272.8490 14.61747 1811.521       189.9830 2186.306       257.5024 1363.804       281.4440 298.4478 18.13254 232.2202 25.78446 66.22754       31.52186 
1 1 1 -1  9   21 o 130.6603 22.80332 435.1232       137.2670 668.4093       156.2680 -352.9813      287.2219 163.4798 20.43929 65.91899 31.61967 97.56084       37.65061 
1 1 1 -1  9   22 o 474.8082 13.10142 5468.015       297.1184 5727.572       350.2884 4802.360       560.9622 484.7916 15.13193 434.7458 27.12432 50.04581       31.05969 
1 1 1 -1  9   23 o 61.12607 24.74344 47.48771       112.2429 7.571779       149.7332 98.68915       169.5845 63.70089 27.35687 77.25997 30.70678 -13.55909      41.12548 
1 1 1 -1  9   24 o 374.9668 14.95099 3436.292       267.4850 3411.463       399.6985 3456.431       359.9744 368.3138 22.81091 372.6663 20.28070 -4.352417      30.52285 
1 1 1 -1  9   25 o 239.1490 19.48327 1428.923       220.8323 1658.427       294.5725 1134.438       333.6787 254.6654 24.49616 202.9908 35.68494 51.67462       43.28368 
1 1 1 -1  9   26 o 123.1149 24.10555 396.8496       136.8048 428.6714       187.1917 360.3684       200.4283 124.9176 31.38710 113.9766 34.12344 10.94097       46.36334 
1 1 1 -1  9   27 o 60.57507 25.52009 26.76443       126.0383 67.43620       178.7610 -13.44122      177.7337 73.99461 30.72533 66.04982 29.06135 7.944786       42.29193 
1 1 1 -1  9   28 o 284.0326 15.61182 1992.497       211.1819 2227.389       293.4697 1740.233       304.1279 296.7227 20.81944 259.1003 24.85611 37.62241       32.42337 
1 1 1 -1  9   29 o 41.91929 20.28356 -182.1589      124.4653 -468.2738      168.6092 160.4420       184.5038 39.74890 19.97411 84.07505 32.43211 -44.32615      38.08945 
1 1 1 -1  9   30 o 81.53898 28.65258 172.2998       138.3988 250.7420       193.1074 89.45459       198.4530 95.22908 33.81062 76.91456 32.18883 18.31452       46.68274 
1 1 1 -1  9   31 o 69.15096 30.03473 32.50932       184.5439 -237.6371      329.8722 155.5740       222.6450 72.00327 34.36099 84.97943 34.68161 -12.97616      48.82101 
1 1 1 -1  9   32 o 90.18559 28.96929 233.9090       141.6226 64.10822       190.8575 441.9578       211.2624 71.82369 30.86626 118.7033 34.90819 -46.87963      46.59729 
1 1 1 -1  9   33 o 155.2494 22.02020 658.1793       158.8603 1258.329       219.3863 -3.386617      230.3383 215.7555 21.55692 69.22377 31.54506 146.5317       38.20722 
1 1 1 -1  9   34 o 81.06776 31.72225 193.8845       178.4808 143.4138       203.9630 358.8593       368.7572 76.83557 32.42252 96.94269 42.27629 -20.10712      53.27761 
1 1 1 -1  9   35 f 61.52328 28.11787 4.115585       184.7369 102.8238       210.9259 -320.9847      382.7911 71.33714 31.51205 66.07041 32.69295 5.266731       45.40747 
1 1 1 -1  9   36 o 40.98445 20.43197 -302.5154      160.8699 -508.6954      219.6760 -64.08183      236.2343 43.71517 22.07190 60.76315 29.01931 -17.04798      36.45942 
1 1 1 -1  10  1  o 136.9767 8.505540 451.0381       55.42540 0.000000       0.000000 451.0381       55.42540 ?        ?        136.9767 8.505540 0.000000       8.505540 
1 1 1 -1  10  2  o 23.00017 10.32381 -11.38711      23.58965 0.000000       0.000000 -11.38711      23.58965 ?        ?        23.00017 10.32381 0.000000       10.32381 
1 1 1 -1  10  3  o 178.6039 9.890250 766.7460       84.12160 0.000000       0.000000 766.7460       84.12160 ?        ?        178.6039 9.890250 0.000000       9.890250 
1 1 1 -1  10  4  o 196.7800 10.15163 930.5318       95.18188 0.000000       0.000000 930.5318       95.18188 ?        ?        196.7800 10.15163 0.000000       10.15163 
1 1 1 -1  10  5  o 249.7985 11.21134 1499.506       133.5511 0.000000       0.000000 1499.506       133.5511 ?        ?        249.7985 11.21134 0.000000       11.21134 
1 1 1 -1  10  6  f 466.9992 7.098057 5220.321       158.4762 5224.203       240.7101 5217.351       210.5450 466.7607 10.78678 466.6247 9.437760 0.1360168      14.33268 
1 1 1 -1  10  7  o 63.76729 13.52389 101.3752       39.94962 109.8428       50.70720 87.51820       64.86715 66.24104 16.15795 60.97313 19.60769 5.267910       25.40750 
1 1 1 -1  10  8  o 287.6001 12.45503 1989.674       170.8486 2087.441       238.5464 1886.707       244.8082 293.8040 17.05602 278.9906 18.45765 14.81348       25.13151 
1 1 1 -1  10  9  o 486.3705 11.13763 5675.714       258.9813 5756.414       290.5714 5363.931       571.1379 489.4391 12.42789 468.4745 25.59764 20.96460       28.45508 
1 1 1 -1  10  10 o 388.5587 12.07840 3629.141       224.1025 3655.520       393.7562 3616.503       272.5511 387.7137 21.32473 387.3560 14.74425 0.3576965      25.92561 
1 1 1 -1  10  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  10  12 o 284.1770 13.46171 1947.820       182.3733 1890.663       253.8600 2008.781       262.1702 278.6887 19.16991 287.2929 19.19772 -8.604187      27.13002 
1 1 1 -1  10  13 o 467.4492 13.15157 5264.898       293.6219 5190.597       542.9761 5295.605       349.0619 459.5307 24.80680 468.0544 15.62092 -8.523712      29.31536 
1 1 1 -1  10  14 o 413.6143 13.78868 4129.381       272.2821 4093.867       444.9427 4150.642       344.2697 408.3968 22.87986 413.4809 17.45473 -5.084076      28.77769 
1 1 1 -1  10  15 o 372.0031 11.86991 3334.748       210.8366 3488.805       270.6378 3096.906       336.2736 379.6266 14.94075 355.9168 19.84076 23.70981       24.83710 
1 1 1 -1  10  16 o 363.5978 14.55811 3202.354       252.5548 3274.326       370.5105 3139.891       345.1675 364.9462 21.32850 357.8366 20.25883 7.109650       29.41641 
1 1 1 -1  10  17 o 183.9515 15.73229 826.9272       137.0309 978.1075       177.8110 605.8264       215.0336 199.2643 18.89028 152.5131 30.55681 46.75122       35.92438 
1 1 1 -1  10  18 o 130.7920 25.01677 438.9370       150.7319 518.3859       231.4132 380.3911       198.6520 139.0171 34.88034 119.7141 33.43217 19.30293       48.31510 
1 1 1 -1  10  19 o 365.6304 13.22686 3241.240       230.8295 3372.350       298.6425 3046.678       363.8017 371.3412 16.86574 350.2509 21.83446 21.09027       27.58979 
1 1 1 -1  10  20 o 274.9462 14.72486 1842.840       192.8503 2034.823       261.0480 1612.179       286.1386 287.0756 19.12937 253.0860 23.93257 33.98955       30.63823 
1 1 1 -1  10  21 o 223.3063 17.79600 1230.429       188.4198 1180.919       232.0088 1326.340       322.9209 216.6288 22.74026 225.2787 30.78716 -8.649933      38.27491 
1 1 1 -1  10  22 o 87.41845 29.24275 190.5668       143.6871 427.3360       223.8057 24.53975       187.4122 124.7364 35.71163 71.99760 30.75588 52.73881       47.13008 
1 1 1 -1  10  23 o 92.17162 25.54921 222.7120       116.4877 269.7956       147.9723 145.9809       188.8998 100.7750 29.09604 84.98859 32.80778 15.78642       43.85123 
1 1 1 -1  10  24 f 64.12669 26.50081 44.41257       132.1064 114.0317       145.8242 -274.2660      311.9908 75.44755 28.90252 71.78384 34.01482 3.663712       44.63590 
1 1 1 -1  10  25 o 203.9535 18.95308 1042.582       182.6927 909.7082       281.0641 1139.794       240.4069 181.8631 33.56218 210.2767 24.36409 -28.41359      41.47323 
1 1 1 -1  10  26 o 147.6286 21.02084 557.0870       144.1772 682.3653       193.4839 400.6710       216.1960 161.1032 26.00616 119.1025 35.38806 42.00073       43.91623 
1 1 1 -1  10  27 o 216.3367 20.03320 1183.632       204.8464 1822.416       325.3709 764.1812       263.6588 264.0489 26.11594 164.6560 34.59470 99.39288       43.34553 
1 1 1 -1  10  28 o 83.22581 29.13846 177.2160       143.0460 269.1185       193.8940 67.45403       211.8980 98.77775 33.96013 77.25677 32.84301 21.52098       47.24356 
1 1 1 -1  10  29 o 87.27386 29.31438 206.1809       144.3768 96.92675       202.7926 318.4760       205.5955 78.13240 32.60698 104.5500 34.97981 -26.41764      47.82052 
1 1 1 -1  10  30 o 83.94558 29.92539 187.4111       151.4194 10.37492       212.9821 368.3481       215.3157 71.14619 31.53477 110.0531 35.75150 -38.90694      47.67191 
1 1 1 -1  10  31 o 100.9432 28.57063 295.3257       144.0655 335.9151       203.0603 254.1887       204.4253 104.3933 34.75999 93.61021 34.56651 10.78309       49.02142 
1 1 1 -1  10  32 o 65.40778 28.21966 50.71177       160.7392 158.7274       204.1030 -125.6882      260.8286 80.32139 33.04090 66.00272 31.22372 14.31867       45.46011 
1 1 1 -1  10  33 o 89.17632 35.71264 258.5212       231.1217 148.7591       348.8055 344.4313       308.5880 84.73520 38.69213 96.63303 40.26727 -11.89783      55.84384 
1 1 1 -1  10  34 o 61.00160 29.18238 -122.4763      241.0608 -188.4737      356.1429 -66.67435      327.4807 68.57912 33.44022 70.88409 33.93783 -2.304970      47.64478 
1 1 1 -1  10  35 o 43.03710 21.51143 -352.1989      183.4701 -568.5051      221.0184 127.2055       329.0373 42.64795 21.60232 75.41052 35.48914 -32.76258      41.54683 
1 1 1 -1  11  1  f 312.4352 12.94987 2348.988       193.0150 0.000000       0.000000 2348.988       193.0150 ?        ?        312.4352 12.94987 0.000000       12.94987 
1 1 1 -1  11  2  o 279.0790 12.13880 1873.445       161.5740 0.000000       0.000000 1873.445       161.5740 ?        ?        279.0790 12.13880 0.000000       12.13880 
1 1 1 -1  11  3  o 357.5490 14.20376 3079.285       242.3161 0.000000       0.000000 3079.285       242.3161 ?        ?        357.5490 14.20376 0.000000       14.20376 
1 1 1 -1  11  4  o 179.8905 9.344628 777.7083       80.09166 0.000000       0.000000 777.7083       80.09166 ?        ?        179.8905 9.344628 0.000000       9.344628 
1 1 1 -1  11  5  o 298.3843 8.624856 2135.057       122.9080 0.000000       0.000000 2135.057       122.9080 ?        ?        298.3843 8.624856 0.000000       8.624856 
1 1 1 -1  11  6  o 380.5062 8.539275 3469.281       155.3428 0.000000       0.000000 3469.281       155.3428 ?        ?        380.5062 8.539275 0.000000       8.539275 
1 1 1 -1  11  7  o 583.9073 10.21378 8179.398       285.1272 8055.973       327.9514 8561.587       577.0925 579.1282 11.84476 593.9143 20.35427 -14.78613      23.54984 
1 1 1 -1  11  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11  10 o 461.0833 11.47391 5109.973       252.9294 5158.241       287.5721 4945.064       531.5471 462.7155 13.01235 448.4259 24.89144 14.28955       28.08746 
1 1 1 -1  11  11 f 152.7440 20.40432 577.5228       145.2792 729.8958       191.8461 372.6679       222.4447 170.9761 24.14073 120.3163 35.93168 50.65982       43.28811 
1 1 1 -1  11  12 o 74.58297 21.80962 138.6809       82.66427 203.5371       89.16569 -258.0359      220.5272 89.56483 21.16173 59.68593 28.37327 29.87890       35.39578 
1 1 1 -1  11  13 o 188.5849 13.76864 862.9842       123.2831 671.8342       166.6769 1093.879       183.1875 164.3097 21.75178 211.3237 18.31229 -47.01399      28.43378 
1 1 1 -1  11  14 f 131.1042 21.67256 432.0756       131.1002 615.9798       200.1777 293.9514       173.4821 154.9925 28.04669 106.7975 31.69213 48.19505       42.32030 
1 1 1 -1  11  15 o 223.4894 14.05231 1213.272       149.3857 1197.284       196.7729 1235.021       229.5125 220.6195 18.83576 223.0461 21.80107 -2.426636      28.81098 
1 1 1 -1  11  16 o 51.53864 23.46608 -70.86415      127.1210 -310.1212      195.1918 105.3580       167.5173 51.84003 25.15873 78.48672 30.72657 -26.64669      39.71251 
1 1 1 -1  11  17 o 157.4695 18.64695 615.6147       137.6613 644.3040       153.2491 495.7207       313.2836 160.5679 20.42485 134.4000 43.07803 26.16792       47.67485 
1 1 1 -1  11  18 o 50.34666 22.12529 -20.39480      102.7325 -106.5763      122.2903 186.2776       189.3765 47.23403 22.03673 90.97548 33.32465 -43.74145      39.95185 
1 1 1 -1  11  19 o 62.93693 27.10494 2.476530       147.7762 -281.6109      225.3401 216.8432       195.7451 58.57697 28.07385 95.33170 34.02031 -36.75473      44.10807 
1 1 1 -1  11  20 o 250.8591 17.99488 1553.868       214.3841 1998.801       267.9305 762.0618       357.4245 283.7057 19.87938 161.9497 44.70107 121.7561       48.92213 
1 1 1 -1  11  21 f 162.0793 22.91570 669.2697       172.6224 879.4990       263.2936 510.7748       228.6133 181.7592 31.43673 136.1827 34.94298 45.57649       47.00298 
1 1 1 -1  11  22 o 291.3251 15.59925 2083.839       216.4728 2581.998       294.6941 1500.008       319.0296 322.2206 19.21707 239.7297 28.38573 82.49092       34.27894 
1 1 1 -1  11  23 o 318.3705 15.70971 2493.686       238.3779 2668.338       327.0407 2295.718       348.1866 325.6899 21.11722 299.4131 24.53899 26.27682       32.37436 
1 1 1 -1  11  24 o 30.50632 15.42574 -363.2809      109.7119 -581.5198      133.9363 81.78325       191.2686 ?        ?        77.27262 31.90597 0.000000       31.90597 
1 1 1 -1  11  25 o 77.56482 30.04404 121.1745       158.8127 14.58636       250.6513 192.6632       205.2743 79.15939 34.68019 91.01581 34.42775 -11.85642      48.86702 
1 1 1 -1  11  26 o 36.59006 18.32531 -363.3769      136.2170 -385.7245      144.2763 -179.9457      413.3486 37.57355 18.82392 86.40479 40.37830 -48.83124      44.55050 
1 1 1 -1  11  27 o 173.6705 28.68149 824.3889       229.8365 868.9916       262.2134 676.4935       477.4759 175.4374 32.45773 137.7842 52.41683 37.65318       61.65248 
1 1 1 -1  11  28 o 349.7313 18.61150 3102.623       310.0685 3220.390       421.2577 2963.383       458.0560 347.7061 25.51895 327.9114 29.53438 19.79468       39.03199 
1 1 1 -1  11  29 o 93.99309 34.30397 247.8825       200.3939 108.3590       262.9403 441.2215       309.5233 84.12059 36.19100 116.0471 42.58825 -31.92652      55.88871 
1 1 1 -1  11  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11  33 o 46.78284 22.75483 -192.7980      162.0598 -33.86301      207.5905 -440.8113      259.3195 62.10420 28.88596 51.86356 25.86906 10.24064       38.77637 
1 1 1 -1  11  34 o 94.46334 33.20690 341.0464       185.9048 535.7917       234.4232 11.01645       305.1714 113.0208 37.33844 69.58270 33.16232 43.43810       49.93895 
1 1 1 -1  12  1  o 506.9896 10.56150 6171.899       255.9960 0.000000       0.000000 6171.899       255.9960 ?        ?        506.9896 10.56150 0.000000       10.56150 
1 1 1 -1  12  2  o 221.6509 9.107094 1180.301       96.30119 0.000000       0.000000 1180.301       96.30119 ?        ?        221.6509 9.107094 0.000000       9.107094 
1 1 1 -1  12  3  o 216.5355 11.20162 1129.526       115.5685 0.000000       0.000000 1129.526       115.5685 ?        ?        216.5355 11.20162 0.000000       11.20162 
1 1 1 -1  12  4  o 203.2464 10.51652 994.6300       101.8412 0.000000       0.000000 994.6300       101.8412 ?        ?        203.2464 10.51652 0.000000       10.51652 
1 1 1 -1  12  5  o 275.2870 8.920508 1819.594       117.2492 0.000000       0.000000 1819.594       117.2492 ?        ?        275.2870 8.920508 0.000000       8.920508 
1 1 1 -1  12  6  o 188.8931 11.67201 861.2635       104.8923 0.000000       0.000000 861.2635       104.8923 ?        ?        188.8931 11.67201 0.000000       11.67201 
1 1 1 -1  12  7  o 441.1614 8.531854 4667.936       179.9489 0.000000       0.000000 4667.936       179.9489 ?        ?        441.1614 8.531854 0.000000       8.531854 
1 1 1 -1  12  8  o 64.86594 15.65220 105.7932       47.97902 126.6164       74.92990 91.32244       62.46379 71.30553 20.73966 61.44935 19.17793 9.856186       28.24759 
1 1 1 -1  12  9  o 420.7283 8.415177 4246.545       169.2674 4270.310       238.2874 4222.339       240.4883 421.0025 11.85060 418.5794 12.02980 2.423065       16.88647 
1 1 1 -1  12  10 o 101.3839 20.52347 259.8174       96.06103 483.3933       133.4181 19.15760       138.4216 139.2118 20.67294 63.51699 26.75110 75.69482       33.80816 
1 1 1 -1  12  11 o 440.8399 11.16245 4681.774       235.0712 4709.285       266.4976 4585.329       498.9767 441.6553 12.63421 430.0759 24.36728 11.57938       27.44791 
1 1 1 -1  12  12 o 288.2033 12.60989 2008.662       173.3269 2113.625       226.5700 1860.562       269.1305 294.5796 16.14938 274.6951 20.64394 19.88446       26.21021 
1 1 1 -1  12  13 o 300.6702 12.12596 2185.419       173.9494 2290.078       223.8132 2025.751       276.4422 306.7913 15.30764 286.5746 20.30865 20.21674       25.43157 
1 1 1 -1  12  14 o 139.4341 16.77168 480.3166       109.5611 538.0793       120.6709 209.2437       261.4096 147.4997 17.44963 100.6534 38.66209 46.84631       42.41753 
1 1 1 -1  12  15 o 377.8187 15.44097 3478.321       278.3238 3416.918       379.8624 3549.493       408.9655 371.1832 21.49769 377.5167 22.76485 -6.333466      31.31117 
1 1 1 -1  12  16 o 78.06761 28.22853 134.7492       135.2694 171.9662       204.0800 105.5858       180.6545 90.59907 34.31443 79.96778 31.72214 10.63129       46.73087 
1 1 1 -1  12  17 f 259.2320 14.30593 1637.742       176.6143 1479.936       230.8471 1860.498       274.2686 244.1776 19.94842 273.3415 21.15204 -29.16393      29.07487 
1 1 1 -1  12  18 o 342.2368 15.65337 2864.634       255.4415 2938.813       343.8380 2773.265       381.6041 343.5545 21.03472 331.5474 24.24215 12.00717       32.09581 
1 1 1 -1  12  19 o 155.1243 18.23065 599.9850       132.6264 666.9958       146.6262 298.4869       311.0151 163.3293 19.14023 111.4129 42.32327 51.91641       46.45005 
1 1 1 -1  12  20 f 172.4364 21.18180 751.6009       170.9582 906.2913       201.2106 350.0463       324.1839 188.8162 22.74737 116.3416 43.42168 72.47462       49.01923 
1 1 1 -1  12  21 o 123.5097 29.39880 411.8935       171.0796 263.2863       202.0007 788.9261       321.7529 100.5399 34.65897 164.6880 41.01983 -64.14809      53.70168 
1 1 1 -1  12  22 o 65.67313 28.30485 12.25304       161.3861 -117.6961      222.7702 155.7827       234.1215 66.15320 30.47051 89.86452 35.95878 -23.71132      47.13264 
1 1 1 -1  12  23 o 82.76334 28.24039 171.9427       134.0196 94.11610       161.4883 344.1518       240.2178 74.55057 29.85311 111.3778 37.81180 -36.82722      48.17614 
1 1 1 -1  12  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  12  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  12  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  12  27 o 236.3166 17.57139 1413.530       197.1013 1196.988       263.0828 1690.587       297.5809 209.8785 26.83186 251.6053 25.07208 -41.72687      36.72271 
1 1 1 -1  12  28 o 175.4412 30.38039 877.1517       245.5952 1390.437       391.3780 543.7476       315.4297 209.5162 40.53823 126.1925 43.31749 83.32362       59.32751 
1 1 1 -1  12  29 o 98.89098 36.68319 301.4772       230.6960 419.4575       260.5863 -126.1139      496.0909 111.9973 39.31945 87.56839 41.88406 24.42889       57.44818 
1 1 1 -1  12  30 f 58.21529 28.15295 -231.0701      238.9342 -131.9281      295.6018 -417.9243      405.8163 69.11884 32.85524 69.54740 34.27235 -0.4285583     47.47695 
1 1 1 -1  12  31 o 53.06700 25.09128 -107.6612      168.0259 -92.10120      183.3089 -189.4764      420.3352 56.39537 26.52435 74.99957 36.51698 -18.60419      45.13348 
1 1 1 -1  12  32 o 66.63792 29.14542 73.99697       176.3734 127.5838       193.5851 -187.7890      427.8744 72.83179 31.18873 72.96613 35.80444 -0.1343384     47.48362 
1 1 1 -1  12  33 o 116.2893 33.75209 507.6930       198.6401 409.8104       221.6285 907.4561       447.8928 98.89317 36.07827 112.6175 47.80741 -13.72433      59.89316 
1 1 1 -1  13  1  o 107.6715 12.71912 283.2829       64.21119 0.000000       0.000000 283.2829       64.21119 ?        ?        107.6715 12.71912 0.000000       12.71912 
1 1 1 -1  13  2  o 353.4004 9.410981 3001.654       158.8633 0.000000       0.000000 3001.654       158.8633 ?        ?        353.4004 9.410981 0.000000       9.410981 
1 1 1 -1  13  3  o 118.4411 12.74884 342.0690       71.05525 0.000000       0.000000 342.0690       71.05525 ?        ?        118.4411 12.74884 0.000000       12.74884 
1 1 1 -1  13  4  o 173.8086 11.54950 730.5532       95.42722 0.000000       0.000000 730.5532       95.42722 ?        ?        173.8086 11.54950 0.000000       11.54950 
1 1 1 -1  13  5  o 99.85275 13.24857 244.7614       61.68744 0.000000       0.000000 244.7614       61.68744 ?        ?        99.85275 13.24857 0.000000       13.24857 
1 1 1 -1  13  6  o 190.4258 10.51544 874.9622       95.36124 0.000000       0.000000 874.9622       95.36124 ?        ?        190.4258 10.51544 0.000000       10.51544 
1 1 1 -1  13  7  o 301.3305 13.14585 2197.015       188.9269 0.000000       0.000000 2197.015       188.9269 ?        ?        301.3305 13.14585 0.000000       13.14585 
1 1 1 -1  13  8  o 273.9009 9.688185 1806.053       126.6659 0.000000       0.000000 1806.053       126.6659 ?        ?        273.9009 9.688185 0.000000       9.688185 
1 1 1 -1  13  9  f 111.7078 12.43434 304.8936       65.28290 284.2734       107.9991 316.7663       81.94954 105.5429 22.11249 113.2215 15.54973 -7.678642      27.03250 
1 1 1 -1  13  10 o 107.3331 12.63509 282.0838       63.59596 204.9723       109.8136 320.9970       78.00909 89.35213 24.82122 114.1639 14.62819 -24.81177      28.81105 
1 1 1 -1  13  11 o 500.4283 19.28620 6152.893       460.5567 6602.442       641.6706 5675.230       661.4299 512.5518 26.27348 472.1691 29.44729 40.38275       39.46439 
1 1 1 -1  13  12 o 287.9535 15.01553 2020.212       206.0005 2530.470       274.2461 1359.536       312.0610 321.1062 17.93546 229.9783 29.02747 91.12793       34.12147 
1 1 1 -1  13  13 o 293.5023 12.83305 2088.941       179.6382 2361.937       227.3674 1635.450       293.0452 311.1978 15.32929 254.8572 24.34636 56.34056       28.77033 
1 1 1 -1  13  14 o 60.00725 23.16483 62.19537       94.17659 21.75450       111.5689 162.4305       175.6478 57.63161 24.12808 86.41869 32.01761 -28.78708      40.09104 
1 1 1 -1  13  15 o 216.2686 24.02514 1183.698       244.2223 0.000000       0.000000 1183.698       244.2223 ?        ?        216.2686 24.02514 0.000000       24.02514 
1 1 1 -1  13  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13  20 o 232.1239 27.39536 1410.096       298.1720 1556.828       367.6696 1128.180       509.6293 239.6242 32.96637 184.2752 54.22507 55.34900       63.45975 
1 1 1 -1  13  21 o 315.7907 17.03270 2470.781       256.2011 2770.658       328.8051 2007.352       408.7511 331.5997 20.84582 272.8276 31.94129 58.77213       38.14177 
1 1 1 -1  13  22 o 277.7463 16.57150 1911.121       219.0480 1913.798       246.6619 1901.134       476.4527 276.5849 18.76482 256.8539 40.10989 19.73102       44.28230 
1 1 1 -1  13  23 o 250.0869 15.92873 1550.206       189.4599 1429.907       243.1981 1735.931       302.1785 236.5629 21.74644 258.4262 24.76037 -21.86333      32.95427 
1 1 1 -1  13  24 f 179.2099 17.13718 807.9861       145.0419 715.6628       174.3860 1015.194       261.2513 165.5847 22.61907 192.6376 29.28786 -27.05292      37.00542 
1 1 1 -1  13  25 f 220.6817 17.83079 1232.335       186.5238 1156.242       210.7956 1506.856       400.3827 211.3900 21.14114 223.3994 38.89996 -12.00946      44.27364 
1 1 1 -1  13  26 o 320.8762 16.41841 2588.297       251.0330 2452.063       338.1491 2755.561       374.6839 304.7544 23.38738 321.6058 24.55437 -16.85147      33.90997 
1 1 1 -1  13  27 o 115.1373 33.12571 400.7525       192.1151 925.5563       312.0807 80.52097       243.7814 170.4191 39.13095 79.48230 34.52115 90.93681       52.18181 
1 1 1 -1  13  28 o 106.5305 29.20576 338.1856       153.1623 87.93529       195.6308 734.5034       246.1908 73.68491 31.44833 153.2100 34.44942 -79.52509      46.64504 
1 1 1 -1  13  29 o 145.3097 30.63053 650.2469       206.0755 671.3978       337.3389 637.6546       260.2887 126.7002 44.71547 133.6945 38.58638 -6.994301      59.06253 
1 1 1 -1  13  30 o 89.68169 30.80949 259.4018       159.5770 318.5969       208.0473 174.8066       248.7093 95.51080 34.93797 81.26590 35.08218 14.24490       49.51183 
1 1 1 -1  13  31 o 174.7719 28.15941 950.5164       227.2963 658.0806       368.2766 1130.454       288.8816 111.5349 44.93679 180.4073 34.75374 -68.87242      56.80790 
1 1 1 -1  13  32 o 81.42329 32.84056 248.3144       196.9272 337.5145       221.5717 -87.08546      429.6484 89.78532 35.28177 71.20484 35.12243 18.58048       49.78342 
1 1 1 -1  14  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14  9  o 107.5365 27.69835 303.0383       143.2695 0.000000       0.000000 303.0383       143.2695 ?        ?        107.5365 27.69835 0.000000       27.69835 
1 1 1 -1  14  10 o 324.8875 12.15077 2555.320       188.3993 2546.878       227.0190 2573.995       337.6712 323.4011 14.72152 321.4687 22.10542 1.932404       26.55886 
1 1 1 -1  14  11 o 216.6330 10.39466 1134.069       107.3432 1247.287       193.4711 1083.717       129.0236 224.8030 18.15571 211.1562 12.84148 13.64677       22.23811 
1 1 1 -1  14  12 o 170.6526 14.91311 714.1579       120.4504 730.3915       148.2865 682.6736       206.5107 171.5011 18.37125 162.0490 27.64673 9.452148       33.19404 
1 1 1 -1  14  13 o 34.05873 16.58070 -149.7798      86.57361 -176.7319      100.0976 -69.76296      172.4720 36.33345 17.71930 61.19207 27.65073 -24.85863      32.84108 
1 1 1 -1  14  14 o 237.2837 14.41024 1375.858       162.7029 1213.469       218.7555 1576.908       243.4068 220.0694 21.04792 251.4164 20.42608 -31.34702      29.32984 
1 1 1 -1  14  15 o 237.1900 13.99853 1374.655       158.0344 1327.869       205.8376 1441.832       246.6459 231.1116 18.79121 239.3343 21.79445 -8.222656      28.77686 
1 1 1 -1  14  16 o 163.6874 19.70897 674.0811       151.1368 372.0634       216.4394 961.4868       211.1387 116.1503 35.60619 194.1616 23.20441 -78.01129      42.49994 
1 1 1 -1  14  17 o 362.5146 15.25892 3225.207       263.8671 3100.629       363.6825 3363.680       383.4290 350.7422 21.79603 365.1292 22.06796 -14.38696      31.01712 
1 1 1 -1  14  18 o 144.8487 19.75060 531.7284       133.2147 719.7388       159.6456 100.6916       241.7259 168.6588 20.20017 85.46027 35.62737 83.19858       40.95554 
1 1 1 -1  14  19 o 193.7029 19.68646 945.3102       179.7806 820.0920       239.3596 1107.379       272.3123 174.7915 29.70520 204.3332 28.66240 -29.54176      41.27871 
1 1 1 -1  14  20 o 282.0198 17.47716 1977.787       234.4875 2121.420       321.1342 1813.743       343.1946 287.6772 23.55532 262.4858 27.76858 25.19138       36.41356 
1 1 1 -1  14  21 o 147.6360 27.28173 584.4744       185.4713 683.9248       228.7661 393.7196       316.8298 157.3134 31.51637 117.0943 43.06859 40.21914       53.36839 
1 1 1 -1  14  22 o 288.2904 18.23590 2091.448       250.0543 1846.000       322.5880 2460.940       395.7955 264.2305 25.86726 303.3904 27.58872 -39.15994      37.81868 
1 1 1 -1  14  23 o 93.73951 34.47279 235.2646       202.9684 225.6342       224.8572 277.6303       471.6176 93.65244 35.88665 109.5634 47.79471 -15.91096      59.76777 
1 1 1 -1  14  24 o 183.3915 24.45724 899.9464       209.0937 907.1140       323.9103 894.8259       273.7777 169.0829 40.58591 174.6958 34.00366 -5.612961      52.94775 
1 1 1 -1  14  25 o 148.6374 25.12698 602.1136       172.1996 212.2561       229.8279 1101.089       260.0094 90.81361 35.85709 199.0311 28.10636 -108.2175      45.55983 
1 1 1 -1  14  26 f 117.1488 26.52168 389.3746       145.0722 469.3861       155.2092 -163.8259      408.1151 129.3318 26.00421 80.37816 38.31919 48.95360       46.30960 
1 1 1 -1  14  27 o 142.6930 21.00918 550.2966       139.0390 442.1057       165.7290 807.4237       255.4918 121.4164 28.95818 159.0195 34.59253 -37.60306      45.11341 
1 1 1 -1  14  28 o 164.3777 25.97119 784.9800       197.3287 1244.211       302.6674 445.4668       260.2426 197.0938 33.30613 108.3390 39.15688 88.75488       51.40583 
1 1 1 -1  14  29 o 73.15342 28.68435 148.1244       146.1853 111.5280       181.9286 214.8092       245.5810 71.29121 30.37375 83.62534 35.44586 -12.33414      46.67948 
1 1 1 -1  14  30 o 91.20638 34.26531 317.3937       202.5661 501.7209       323.9431 199.0404       259.5758 100.3259 41.48303 79.23130 34.98030 21.09457       54.26291 
1 1 1 -1  14  31 o 56.00206 25.64202 5.805626       154.5792 -4.831547      193.7936 24.41101       256.2982 59.46972 27.74379 65.93040 31.11769 -6.460690      41.68967 
1 1 1 -1  15  1  o 141.4116 12.26958 486.9615       82.13115 0.000000       0.000000 486.9615       82.13115 ?        ?        141.4116 12.26958 0.000000       12.26958 
1 1 1 -1  15  2  o 146.1749 11.84036 519.4772       82.03809 0.000000       0.000000 519.4772       82.03809 ?        ?        146.1749 11.84036 0.000000       11.84036 
1 1 1 -1  15  3  f 138.1785 11.89383 464.6620       77.80863 0.000000       0.000000 464.6620       77.80863 ?        ?        138.1785 11.89383 0.000000       11.89383 
1 1 1 -1  15  4  o 41.45523 15.10728 34.34930       38.84507 0.000000       0.000000 34.34930       38.84507 ?        ?        41.45523 15.10728 0.000000       15.10728 
1 1 1 -1  15  5  o 45.14264 15.88965 43.96269       42.57582 0.000000       0.000000 43.96269       42.57582 ?        ?        45.14264 15.88965 0.000000       15.88965 
1 1 1 -1  15  6  o 265.0851 12.59909 1704.910       159.2164 0.000000       0.000000 1704.910       159.2164 ?        ?        265.0851 12.59909 0.000000       12.59909 
1 1 1 -1  15  7  o 215.2585 12.97393 1126.842       132.8984 0.000000       0.000000 1126.842       132.8984 ?        ?        215.2585 12.97393 0.000000       12.97393 
1 1 1 -1  15  8  o 170.1458 12.41010 704.5391       100.2555 0.000000       0.000000 704.5391       100.2555 ?        ?        170.1458 12.41010 0.000000       12.41010 
1 1 1 -1  15  9  f 121.9942 12.94188 364.7440       74.33209 0.000000       0.000000 364.7440       74.33209 ?        ?        121.9942 12.94188 0.000000       12.94188 
1 1 1 -1  15  10 o 412.0041 9.882654 4093.346       194.6630 0.000000       0.000000 4093.346       194.6630 ?        ?        412.0041 9.882654 0.000000       9.882654 
1 1 1 -1  15  11 o 309.3047 8.792284 2305.290       129.8840 2329.085       280.0908 2298.771       146.5990 306.3494 19.22063 308.5216 9.951890 -2.172272      21.64423 
1 1 1 -1  15  12 o 326.0991 8.212825 2560.367       127.9395 2572.741       231.2135 2554.906       153.5970 324.2143 14.95700 325.2272 9.889913 -1.012878      17.93104 
1 1 1 -1  15  13 o 238.8494 11.11207 1383.816       126.5423 1312.006       206.6587 1426.890       160.0572 229.3722 19.01613 241.5588 13.91832 -12.18665      23.56550 
1 1 1 -1  15  14 o 78.74397 24.97699 157.7053       105.5385 170.2402       113.5634 78.29771       285.8302 81.59281 25.91261 88.93197 37.98598 -7.339157      45.98258 
1 1 1 -1  15  15 o 202.7043 15.86885 1015.095       152.5610 898.8975       208.3491 1149.416       224.0088 186.9209 23.85749 212.5083 22.38441 -25.58734      32.71455 
1 1 1 -1  15  16 o 314.7310 14.61244 2429.820       219.2722 2260.377       292.4372 2647.422       331.4001 299.8462 20.52354 323.8125 21.52901 -23.96631      29.74414 
1 1 1 -1  15  17 o 65.86573 25.39671 82.09850       113.1028 63.68353       120.2889 222.5535       332.2070 64.32712 25.76310 103.6919 42.34676 -39.36483      49.56799 
1 1 1 -1  15  18 f 280.0147 14.65737 1928.541       195.5377 2059.380       251.0584 1726.784       311.7598 287.0999 18.38749 257.5992 25.65510 29.50076       31.56397 
1 1 1 -1  15  19 o 97.39311 25.81914 255.7719       122.1519 226.7087       141.3058 341.7082       242.9831 91.81271 28.87260 109.8289 38.00561 -18.01620      47.72895 
1 1 1 -1  15  20 o 115.6650 24.66760 359.8788       132.2421 381.8774       153.3225 295.9716       261.3268 117.6930 27.71066 103.6482 38.92347 14.04480       47.77988 
1 1 1 -1  15  21 f 78.41344 27.92425 154.9636       131.8125 147.3643       145.1713 190.6468       314.5771 78.29189 29.08877 95.92053 40.35891 -17.62864      49.74936 
1 1 1 -1  15  22 o 127.7207 24.89454 443.4431       146.5461 499.5462       163.7411 217.6200       328.5099 134.8220 26.34818 97.60149 41.16442 37.22051       48.87470 
1 1 1 -1  15  23 o 161.1081 30.83590 745.1868       228.8617 656.0856       250.7756 1189.201       559.8121 146.2204 36.09412 164.4737 57.63910 -18.25325      68.00773 
1 1 1 -1  15  24 o 231.6631 19.29908 1391.813       211.8082 1490.447       287.3492 1274.459       313.4315 232.2852 26.33936 207.6175 32.65399 24.66776       41.95289 
1 1 1 -1  15  25 o 48.77003 23.61523 -207.2994      169.4724 -482.9859      235.5284 88.66893       244.0384 49.28146 24.59252 77.57998 34.09674 -28.29852      42.04021 
1 1 1 -1  15  26 o 95.79088 39.69952 321.6616       297.6320 311.4005       411.0361 332.9720       431.5428 95.81297 43.04322 97.10921 43.82253 -1.296234      61.42583 
1 1 1 -1  15  27 o 128.8089 23.95455 477.3634       142.0890 434.4067       169.4089 579.2737       260.9336 116.7072 30.14957 122.6724 39.31396 -5.965210      49.54375 
1 1 1 -1  15  28 o 78.63076 28.76921 195.0322       141.0772 214.0669       171.6769 155.4462       247.5762 80.98759 31.27292 77.23607 34.12800 3.751518       46.28948 
1 1 1 -1  15  29 o 85.62460 33.02711 279.1264       191.3243 21.42269       297.4176 461.0519       249.8924 69.28423 32.94019 101.0413 38.03717 -31.75706      50.31782 
1 1 1 -1  16  1  o 321.6682 9.303395 2494.605       142.9228 0.000000       0.000000 2494.605       142.9228 ?        ?        321.6682 9.303395 0.000000       9.303395 
1 1 1 -1  16  2  o 205.5833 10.84136 1023.739       106.1799 0.000000       0.000000 1023.739       106.1799 ?        ?        205.5833 10.84136 0.000000       10.84136 
1 1 1 -1  16  3  o 309.1093 9.377419 2304.357       138.4207 0.000000       0.000000 2304.357       138.4207 ?        ?        309.1093 9.377419 0.000000       9.377419 
1 1 1 -1  16  4  o 128.9558 13.06269 407.6809       79.42484 0.000000       0.000000 407.6809       79.42484 ?        ?        128.9558 13.06269 0.000000       13.06269 
1 1 1 -1  16  5  o 115.3451 13.91343 328.2032       75.17779 0.000000       0.000000 328.2032       75.17779 ?        ?        115.3451 13.91343 0.000000       13.91343 
1 1 1 -1  16  6  o 342.9666 12.54696 2857.706       205.3837 0.000000       0.000000 2857.706       205.3837 ?        ?        342.9666 12.54696 0.000000       12.54696 
1 1 1 -1  16  7  o 343.6115 12.52245 2869.102       205.3706 0.000000       0.000000 2869.102       205.3706 ?        ?        343.6115 12.52245 0.000000       12.52245 
1 1 1 -1  16  8  o 254.2363 12.69746 1573.631       153.8460 0.000000       0.000000 1573.631       153.8460 ?        ?        254.2363 12.69746 0.000000       12.69746 
1 1 1 -1  16  9  o 202.2040 11.21818 992.8676       108.0227 0.000000       0.000000 992.8676       108.0227 ?        ?        202.2040 11.21818 0.000000       11.21818 
1 1 1 -1  16  10 o 125.9863 15.35877 394.0642       90.60014 0.000000       0.000000 394.0642       90.60014 ?        ?        125.9863 15.35877 0.000000       15.35877 
1 1 1 -1  16  11 o 421.3294 9.084631 4281.024       182.9942 0.000000       0.000000 4281.024       182.9942 ?        ?        421.3294 9.084631 0.000000       9.084631 
1 1 1 -1  16  12 o 115.6119 13.45649 329.9114       72.98917 0.000000       0.000000 329.9114       72.98917 ?        ?        115.6119 13.45649 0.000000       13.45649 
1 1 1 -1  16  13 o 70.73244 17.99390 128.5487       60.98454 322.4619       108.1553 38.15694       73.84281 111.8437 20.99776 51.03331 20.26924 60.81041       29.18472 
1 1 1 -1  16  14 o 139.9235 11.54048 478.3124       76.51521 619.7620       187.1303 449.9160       83.84448 153.2018 26.50804 135.2466 13.13211 17.95518       29.58257 
1 1 1 -1  16  15 o 219.6421 15.73376 1193.745       164.1233 1141.750       189.7032 1348.486       327.2654 213.2490 18.79941 222.8477 31.60270 -9.598694      36.77157 
1 1 1 -1  16  16 o 321.1855 13.30014 2528.167       203.7886 2294.149       250.6916 2984.092       349.9143 303.3174 17.36008 342.3810 21.48516 -39.06354      27.62218 
1 1 1 -1  16  17 o 185.0305 16.08465 855.2816       140.8740 961.9704       173.8787 651.4673       240.3280 194.7517 18.91270 150.3600 34.20583 44.39165       39.08617 
1 1 1 -1  16  18 o 70.17106 25.95585 112.7083       115.3507 107.2846       128.8234 134.6453       259.0823 70.89629 27.16389 87.59075 36.72593 -16.69446      45.68009 
1 1 1 -1  16  19 o 93.12508 26.09285 238.8329       120.7930 153.7718       137.3546 529.1310       253.7463 78.45463 28.43461 130.6701 38.21117 -52.21545      47.63004 
1 1 1 -1  16  20 o 75.16164 32.02865 72.02231       202.3586 67.84790       227.9993 87.51328       439.2132 77.72472 33.57177 96.18786 43.72627 -18.46313      55.12758 
1 1 1 -1  16  21 o 184.0844 22.69787 899.6835       195.5352 1110.111       254.8454 598.4915       304.8926 200.5052 27.29327 132.7520 42.49185 67.75323       50.50227 
1 1 1 -1  16  22 o 101.5603 34.61638 318.9527       201.3585 324.7388       248.4050 307.8657       343.8542 101.6122 37.99229 101.2789 42.37687 0.3332977      56.91409 
1 1 1 -1  16  23 o 206.7877 26.06873 1208.121       252.0074 1308.973       278.6382 754.8872       590.6901 212.8216 28.06888 120.1931 52.92830 92.62848       59.91050 
1 1 1 -1  16  24 o 108.8535 35.38789 407.9396       210.9370 488.7362       263.4039 263.4881       352.1979 114.0610 39.56520 92.34377 40.75871 21.71719       56.80385 
1 1 1 -1  16  25 o 173.1859 20.19993 816.1151       164.1152 800.8096       198.7444 848.9219       290.9732 165.3847 25.99217 151.4026 39.71342 13.98215       47.46313 
1 1 1 -1  16  26 o 40.11404 19.75063 -219.7747      133.7949 -226.4933      137.7872 -108.8486      559.8712 40.60685 20.00291 80.17112 39.64630 -39.56427      44.40659 
1 1 1 -1  16  27 o 58.29996 25.49336 47.98228       134.8805 80.00198       146.7408 -126.4204      342.4671 62.85294 27.03863 67.00444 32.69858 -4.151501      42.42976 
1 1 1 -1  16  28 o 69.36772 30.04338 138.1656       183.5813 334.9494       258.1924 -63.04153      261.0781 85.88901 36.37226 62.02863 29.85479 23.86038       47.05582 
1 1 1 -1  17  1  o 234.8889 10.63064 1336.155       119.0702 0.000000       0.000000 1336.155       119.0702 ?        ?        234.8889 10.63064 0.000000       10.63064 
1 1 1 -1  17  2  o 266.1691 12.79018 1724.723       162.2817 0.000000       0.000000 1724.723       162.2817 ?        ?        266.1691 12.79018 0.000000       12.79018 
1 1 1 -1  17  3  o 102.8703 13.55807 261.7758       65.05836 0.000000       0.000000 261.7758       65.05836 ?        ?        102.8703 13.55807 0.000000       13.55807 
1 1 1 -1  17  4  o 115.1639 12.35907 325.4426       66.98392 0.000000       0.000000 325.4426       66.98392 ?        ?        115.1639 12.35907 0.000000       12.35907 
1 1 1 -1  17  5  o 230.5013 9.793453 1284.834       107.6779 0.000000       0.000000 1284.834       107.6779 ?        ?        230.5013 9.793453 0.000000       9.793453 
1 1 1 -1  17  6  o 247.9388 9.730827 1486.291       115.1220 0.000000       0.000000 1486.291       115.1220 ?        ?        247.9388 9.730827 0.000000       9.730827 
1 1 1 -1  17  7  o 73.67078 18.53618 139.5865       65.22229 0.000000       0.000000 139.5865       65.22229 ?        ?        73.67078 18.53618 0.000000       18.53618 
1 1 1 -1  17  8  f 245.2374 12.71473 1466.835       148.5651 0.000000       0.000000 1466.835       148.5651 ?        ?        245.2374 12.71473 0.000000       12.71473 
1 1 1 -1  17  9  o 190.4265 12.90248 886.9746       116.7715 0.000000       0.000000 886.9746       116.7715 ?        ?        190.4265 12.90248 0.000000       12.90248 
1 1 1 -1  17  10 o 175.1392 11.79635 748.5011       98.19713 0.000000       0.000000 748.5011       98.19713 ?        ?        175.1392 11.79635 0.000000       11.79635 
1 1 1 -1  17  11 o 44.30076 16.74530 36.38983       48.54261 0.000000       0.000000 36.38983       48.54261 ?        ?        44.30076 16.74530 0.000000       16.74530 
1 1 1 -1  17  12 o 49.27143 20.03946 29.26127       74.02754 0.000000       0.000000 29.26127       74.02754 ?        ?        49.27143 20.03946 0.000000       20.03946 
1 1 1 -1  17  13 o 152.4111 14.08630 575.4785       101.4803 0.000000       0.000000 575.4785       101.4803 ?        ?        152.4111 14.08630 0.000000       14.08630 
1 1 1 -1  17  14 o 209.8451 9.621600 1069.451       96.27141 1064.900       181.6138 1071.230       113.5353 204.9938 18.73803 209.3645 11.38563 -4.370743      21.92593 
1 1 1 -1  17  15 o 207.4626 11.16037 1052.069       110.2872 1211.788       212.9413 993.5200       128.9264 217.0411 20.77481 200.5563 13.52523 16.48476       24.78960 
1 1 1 -1  17  16 o 103.7597 15.58239 273.0107       74.91260 163.8272       129.2280 328.2713       91.93594 79.55395 27.70596 113.1559 17.56325 -33.60197      32.80378 
1 1 1 -1  17  17 o 120.7485 27.53710 407.2303       155.4325 379.8503       211.2701 439.5358       229.4877 112.3088 35.30216 119.6662 36.65995 -7.357414      50.89395 
1 1 1 -1  17  18 o 75.43253 29.47215 126.6339       153.8652 253.7493       210.1066 -20.37890      225.9531 94.88969 35.04273 70.44794 31.75782 24.44175       47.29220 
1 1 1 -1  17  19 o 174.6705 17.64055 782.8127       145.2961 757.7870       173.2865 842.0595       266.6264 168.7517 22.00216 166.4341 34.63682 2.317566       41.03418 
1 1 1 -1  17  20 o 90.34042 28.58542 239.3921       138.3098 277.2461       144.9810 -143.7706      461.2609 96.59805 29.04543 83.45058 40.03994 13.14748       49.46548 
1 1 1 -1  17  21 o 73.83968 27.21125 146.8498       126.5750 97.67828       140.9528 351.6584       287.6676 68.06095 27.66291 100.2254 39.94114 -32.16441      48.58530 
1 1 1 -1  17  22 o 58.01588 25.58018 16.12188       138.3804 -13.55401      143.2163 433.4274       537.0535 56.04539 25.27271 101.3226 46.89682 -45.27720      53.27308 
1 1 1 -1  17  23 o 52.34019 23.95737 -34.98419      134.7861 -74.19568      145.4860 202.5597       358.0853 51.23087 23.94565 86.72091 39.44581 -35.49004      46.14505 
1 1 1 -1  17  24 o 71.01145 28.16886 140.0384       142.4480 157.0203       178.8864 110.6089       235.4917 74.66643 30.84543 73.61517 32.86139 1.051254       45.07007 
1 1 1 -1  17  25 o 102.3178 33.10719 391.8722       184.7487 449.9875       198.0972 3.724304       511.9549 108.5773 34.19138 77.31623 38.17485 31.26104       51.24812 
1 1 1 -1  17  26 o 79.83601 34.32796 250.5198       236.3081 175.0775       317.9182 343.6609       353.2472 75.63419 35.36683 83.94859 38.55846 -8.314407      52.32177 
1 1 1 -1  18  1  o 52.98518 21.21623 40.28384       81.55923 0.000000       0.000000 40.28384       81.55923 ?        ?        52.98518 21.21623 0.000000       21.21623 
1 1 1 -1  18  2  o 71.34843 17.07661 131.0665       57.47271 0.000000       0.000000 131.0665       57.47271 ?        ?        71.34843 17.07661 0.000000       17.07661 
1 1 1 -1  18  3  o 217.3252 12.65526 1156.223       130.9201 0.000000       0.000000 1156.223       130.9201 ?        ?        217.3252 12.65526 0.000000       12.65526 
1 1 1 -1  18  4  o 397.1076 9.007009 3810.007       171.0004 0.000000       0.000000 3810.007       171.0004 ?        ?        397.1076 9.007009 0.000000       9.007009 
1 1 1 -1  18  5  o 81.85955 16.28192 171.1832       61.47776 0.000000       0.000000 171.1832       61.47776 ?        ?        81.85955 16.28192 0.000000       16.28192 
1 1 1 -1  18  6  o 96.76365 13.64761 233.6476       61.38478 0.000000       0.000000 233.6476       61.38478 ?        ?        96.76365 13.64761 0.000000       13.64761 
1 1 1 -1  18  7  o 50.87701 19.20237 50.18714       63.77869 0.000000       0.000000 50.18714       63.77869 ?        ?        50.87701 19.20237 0.000000       19.20237 
1 1 1 -1  18  8  o 44.15205 18.27488 17.30800       62.95753 0.000000       0.000000 17.30800       62.95753 ?        ?        44.15205 18.27488 0.000000       18.27488 
1 1 1 -1  18  9  o 105.5619 14.10790 278.6223       69.41871 0.000000       0.000000 278.6223       69.41871 ?        ?        105.5619 14.10790 0.000000       14.10790 
1 1 1 -1  18  10 o 130.1141 14.47015 422.3530       88.49224 0.000000       0.000000 422.3530       88.49224 ?        ?        130.1141 14.47015 0.000000       14.47015 
1 1 1 -1  18  11 o 46.93605 17.30076 45.45881       51.17093 0.000000       0.000000 45.45881       51.17093 ?        ?        46.93605 17.30076 0.000000       17.30076 
1 1 1 -1  18  12 o 148.3470 14.86951 550.1499       104.0388 0.000000       0.000000 550.1499       104.0388 ?        ?        148.3470 14.86951 0.000000       14.86951 
1 1 1 -1  18  13 o 81.11073 17.03501 170.5782       63.95311 0.000000       0.000000 170.5782       63.95311 ?        ?        81.11073 17.03501 0.000000       17.03501 
1 1 1 -1  18  14 o 251.3899 11.00827 1546.724       131.9839 0.000000       0.000000 1546.724       131.9839 ?        ?        251.3899 11.00827 0.000000       11.00827 
1 1 1 -1  18  15 o 88.94513 16.89534 205.2785       69.21888 0.000000       0.000000 205.2785       69.21888 ?        ?        88.94513 16.89534 0.000000       16.89534 
1 1 1 -1  18  16 o 88.33654 17.67347 205.0661       72.03164 270.3862       130.5154 176.4552       86.37826 97.04921 27.09732 80.37869 21.89089 16.67052       34.83498 
1 1 1 -1  18  17 o 51.14087 19.88863 50.36978       69.80939 182.3685       122.4856 -13.13627      84.95866 80.41958 27.00057 44.84958 19.89598 35.57000       33.53924 
1 1 1 -1  18  18 o 245.2761 9.934326 1478.237       116.2525 1432.668       244.9678 1491.482       132.0718 228.9130 22.68152 245.4106 11.28686 -16.49756      25.33465 
1 1 1 -1  18  19 o 59.25762 27.63777 -74.24905      192.1172 -136.0062      217.0617 149.0737       412.7678 59.21761 28.15030 88.32998 40.96331 -29.11237      49.70344 
1 1 1 -1  18  20 o 81.58543 31.76482 198.6468       178.2328 243.0813       228.0229 128.8632       285.7556 87.31889 35.29557 80.34502 36.00782 6.973869       50.42162 
1 1 1 -1  18  21 o 64.77374 29.73231 0.8008544      209.5802 3.256969       231.1371 -10.55453      496.9885 67.06535 30.94335 81.68646 39.75804 -14.62111      50.38048 
1 1 1 -1  18  22 o 93.38588 34.20359 328.6423       199.4889 390.0190       264.8825 248.2085       303.2295 95.57412 38.24659 83.70763 37.33307 11.86649       53.44679 
1 1 1 -1  18  23 o 66.57594 29.39022 94.39980       183.1998 -319.4397      288.6695 373.4824       237.0562 56.48195 28.02587 92.88452 36.49554 -36.40257      46.01493 
1 1 1 -1  19  1  o 35.11137 15.30410 -6.264761      48.27124 0.000000       0.000000 -6.264761      48.27124 ?        ?        35.11137 15.30410 0.000000       15.30410 
1 1 1 -1  19  2  o 41.12585 16.70871 19.68232       51.39989 0.000000       0.000000 19.68232       51.39989 ?        ?        41.12585 16.70871 0.000000       16.70871 
1 1 1 -1  19  3  o 161.7612 13.50775 647.6766       103.5110 0.000000       0.000000 647.6766       103.5110 ?        ?        161.7612 13.50775 0.000000       13.50775 
1 1 1 -1  19  4  o 182.8414 12.08351 821.2310       105.0351 0.000000       0.000000 821.2310       105.0351 ?        ?        182.8414 12.08351 0.000000       12.08351 
1 1 1 -1  19  5  o 122.3795 14.87068 375.7637       85.22211 0.000000       0.000000 375.7637       85.22211 ?        ?        122.3795 14.87068 0.000000       14.87068 
1 1 1 -1  19  6  o 363.0160 9.510157 3200.124       164.9102 0.000000       0.000000 3200.124       164.9102 ?        ?        363.0160 9.510157 0.000000       9.510157 
1 1 1 -1  19  7  o 107.3376 12.95165 287.1066       65.12184 0.000000       0.000000 287.1066       65.12184 ?        ?        107.3376 12.95165 0.000000       12.95165 
1 1 1 -1  19  8  o 42.89333 18.25516 7.035961       65.59328 0.000000       0.000000 7.035961       65.59328 ?        ?        42.89333 18.25516 0.000000       18.25516 
1 1 1 -1  19  9  o 86.04996 15.96744 190.6463       63.27129 0.000000       0.000000 190.6463       63.27129 ?        ?        86.04996 15.96744 0.000000       15.96744 
1 1 1 -1  19  10 o 88.33894 19.28541 207.0374       79.15960 0.000000       0.000000 207.0374       79.15960 ?        ?        88.33894 19.28541 0.000000       19.28541 
1 1 1 -1  19  11 o 50.90224 17.02170 63.40659       48.68465 0.000000       0.000000 63.40659       48.68465 ?        ?        50.90224 17.02170 0.000000       17.02170 
1 1 1 -1  19  12 o 91.18097 21.98400 228.3129       94.70863 0.000000       0.000000 228.3129       94.70863 ?        ?        91.18097 21.98400 0.000000       21.98400 
1 1 1 -1  19  13 o 61.32058 18.76966 99.17797       60.17363 0.000000       0.000000 99.17797       60.17363 ?        ?        61.32058 18.76966 0.000000       18.76966 
1 1 1 -1  19  14 o 94.53415 20.99132 245.5670       92.40018 0.000000       0.000000 245.5670       92.40018 ?        ?        94.53415 20.99132 0.000000       20.99132 
1 1 1 -1  19  15 o 71.27776 18.43126 137.6182       63.27060 0.000000       0.000000 137.6182       63.27060 ?        ?        71.27776 18.43126 0.000000       18.43126 
1 1 1 -1  19  16 o 272.9344 14.32895 1891.999       186.3190 0.000000       0.000000 1891.999       186.3190 ?        ?        272.9344 14.32895 0.000000       14.32895 
1 1 1 -1  19  17 o 197.8979 10.50923 971.1171       99.07413 918.8392       184.3034 992.3635       117.4942 182.4805 21.54023 198.6433 12.43421 -16.16281      24.87149 
1 1 1 -1  19  18 o 51.12082 20.11962 53.70950       72.15107 24.66303       130.0633 66.62158       86.71742 56.60223 24.88399 55.61033 22.00413 0.9919014      33.21739 
1 1 1 -1  19  19 o 110.4109 15.91747 324.4340       81.59850 304.3376       149.2174 333.0072       97.46186 95.06731 29.63692 109.3682 19.34725 -14.30091      35.39298 
1 1 1 -1  19  20 o 112.8688 16.09386 342.4616       84.38755 431.1738       230.3571 328.7111       90.69215 100.7077 36.77541 109.0839 18.01859 -8.376183      40.95242 
1 1 1 -1  20  1  o 80.91429 17.34755 172.6972       65.09230 0.000000       0.000000 172.6972       65.09230 ?        ?        80.91429 17.34755 0.000000       17.34755 
1 1 1 -1  20  2  o 153.5651 14.90032 597.1843       108.0214 0.000000       0.000000 597.1843       108.0214 ?        ?        153.5651 14.90032 0.000000       14.90032 
1 1 1 -1  20  3  o 96.52332 19.51174 249.2023       86.94030 0.000000       0.000000 249.2023       86.94030 ?        ?        96.52332 19.51174 0.000000       19.51174 
1 1 1 -1  20  4  o 181.9370 12.75646 825.1623       110.2552 0.000000       0.000000 825.1623       110.2552 ?        ?        181.9370 12.75646 0.000000       12.75646 
1 1 1 -1  20  5  o 180.4275 13.22920 814.5974       113.3222 0.000000       0.000000 814.5974       113.3222 ?        ?        180.4275 13.22920 0.000000       13.22920 
1 1 1 -1  20  6  o 37.09286 15.69705 7.146690       48.03204 0.000000       0.000000 7.146690       48.03204 ?        ?        37.09286 15.69705 0.000000       15.69705 
1 1 1 -1  20  7  o 152.2264 14.14608 585.8339       101.7739 0.000000       0.000000 585.8339       101.7739 ?        ?        152.2264 14.14608 0.000000       14.14608 
1 1 1 -1  20  8  o 105.0591 14.15578 281.5210       69.29350 0.000000       0.000000 281.5210       69.29350 ?        ?        105.0591 14.15578 0.000000       14.15578 
1 1 1 -1  20  9  o 127.6359 14.01745 413.7437       84.13025 0.000000       0.000000 413.7437       84.13025 ?        ?        127.6359 14.01745 0.000000       14.01745 
1 1 1 -1  20  10 o 123.2615 14.99429 390.0551       86.54557 0.000000       0.000000 390.0551       86.54557 ?        ?        123.2615 14.99429 0.000000       14.99429 
1 1 1 -1  20  11 o 140.6546 14.52152 505.7052       96.24824 0.000000       0.000000 505.7052       96.24824 ?        ?        140.6546 14.52152 0.000000       14.52152 
1 1 1 -1  20  12 o 81.65177 21.66543 188.5314       85.96184 0.000000       0.000000 188.5314       85.96184 ?        ?        81.65177 21.66543 0.000000       21.66543 
1 1 1 -1  20  13 o 89.57684 17.69299 216.8484       73.08230 0.000000       0.000000 216.8484       73.08230 ?        ?        89.57684 17.69299 0.000000       17.69299 
1 1 1 -1  20  14 o 55.12922 22.49697 57.90738       93.67204 0.000000       0.000000 57.90738       93.67204 ?        ?        55.12922 22.49697 0.000000       22.49697 
1 1 1 -1  20  15 o 125.9500 17.53042 428.3750       102.7029 0.000000       0.000000 428.3750       102.7029 ?        ?        125.9500 17.53042 0.000000       17.53042 
1 1 1 -1  20  16 o 37.14328 16.12952 2.674965       53.20116 0.000000       0.000000 2.674965       53.20116 ?        ?        37.14328 16.12952 0.000000       16.12952 
1 1 1 -1  21  1  o 231.2269 13.82105 1359.703       152.0902 0.000000       0.000000 1359.703       152.0902 ?        ?        231.2269 13.82105 0.000000       13.82105 
1 1 1 -1  21  2  o 44.44152 19.97868 -18.56068      88.72256 0.000000       0.000000 -18.56068      88.72256 ?        ?        44.44152 19.97868 0.000000       19.97868 
1 1 1 -1  21  3  o 180.6323 13.17317 827.0190       112.9791 0.000000       0.000000 827.0190       112.9791 ?        ?        180.6323 13.17317 0.000000       13.17317 
1 1 1 -1  21  4  o 208.0405 12.69767 1092.263       125.6917 0.000000       0.000000 1092.263       125.6917 ?        ?        208.0405 12.69767 0.000000       12.69767 
1 1 1 -1  21  5  o 97.01734 15.94199 248.5835       71.37749 0.000000       0.000000 248.5835       71.37749 ?        ?        97.01734 15.94199 0.000000       15.94199 
1 1 1 -1  21  6  f 148.6770 15.72558 577.3485       110.0865 0.000000       0.000000 577.3485       110.0865 ?        ?        148.6770 15.72558 0.000000       15.72558 
1 1 1 -1  21  7  o 53.77691 18.44563 74.77808       57.19264 0.000000       0.000000 74.77808       57.19264 ?        ?        53.77691 18.44563 0.000000       18.44563 
1 1 1 -1  21  8  o 76.61474 22.93269 172.6044       90.53140 0.000000       0.000000 172.6044       90.53140 ?        ?        76.61474 22.93269 0.000000       22.93269 
1 1 1 -1  21  9  f 116.2184 16.29500 359.5292       88.05521 0.000000       0.000000 359.5292       88.05521 ?        ?        116.2184 16.29500 0.000000       16.29500 
1 1 1 -1  21  10 o 50.24406 17.75587 63.66215       53.20447 0.000000       0.000000 63.66215       53.20447 ?        ?        50.24406 17.75587 0.000000       17.75587 
1 1 1 0   -21 1  o 50.06206 19.22975 50.71868       64.67010 50.71868       64.67010 0.000000       0.000000 50.06206 19.22975 ?        ?        0.000000       19.22975 
1 1 1 0   -21 2  o 60.59558 24.11712 74.57429       104.7499 74.57429       104.7499 0.000000       0.000000 60.59558 24.11712 ?        ?        0.000000       24.11712 
1 1 1 0   -21 3  o 65.01394 20.90624 113.7703       73.74404 113.7703       73.74404 0.000000       0.000000 65.01394 20.90624 ?        ?        0.000000       20.90624 
1 1 1 0   -21 4  o 139.3717 20.10249 523.8671       130.0796 523.8671       130.0796 0.000000       0.000000 139.3717 20.10249 ?        ?        0.000000       20.10249 
1 1 1 0   -21 5  f 62.88821 23.29754 98.82268       92.99649 98.82268       92.99649 0.000000       0.000000 62.88821 23.29754 ?        ?        0.000000       23.29754 
1 1 1 0   -21 6  o 78.92299 21.06540 174.6130       80.96603 174.6130       80.96603 0.000000       0.000000 78.92299 21.06540 ?        ?        0.000000       21.06540 
1 1 1 0   -20 1  o 69.96788 19.34687 129.5661       66.88641 129.5661       66.88641 0.000000       0.000000 69.96788 19.34687 ?        ?        0.000000       19.34687 
1 1 1 0   -20 2  o 112.6567 17.90079 328.8172       93.19181 328.8172       93.19181 0.000000       0.000000 112.6567 17.90079 ?        ?        0.000000       17.90079 
1 1 1 0   -20 3  o 101.7741 16.91216 267.5516       79.40263 267.5516       79.40263 0.000000       0.000000 101.7741 16.91216 ?        ?        0.000000       16.91216 
1 1 1 0   -20 4  o 103.0883 19.00762 279.7203       90.22911 279.7203       90.22911 0.000000       0.000000 103.0883 19.00762 ?        ?        0.000000       19.00762 
1 1 1 0   -20 5  o 77.16557 19.03961 158.6931       69.80276 158.6931       69.80276 0.000000       0.000000 77.16557 19.03961 ?        ?        0.000000       19.03961 
1 1 1 0   -20 6  o 57.94025 17.81926 86.60110       54.15364 166.0293       117.7438 65.29172       60.98683 78.18869 26.47309 53.11115 18.98534 25.07754       32.57711 
1 1 1 0   -20 7  o 148.3040 9.770623 538.9033       68.89018 475.0953       99.88692 596.7876       95.13738 136.6637 15.56495 154.6936 12.98352 -18.02989      20.26918 
1 1 1 0   -20 8  o 111.9968 14.29408 318.1661       74.79485 316.3361       117.4610 319.4142       97.00270 106.7476 23.63987 109.8333 19.17018 -3.085709      30.43582 
1 1 1 0   -20 9  o 49.79206 18.94132 50.88415       62.34726 -43.69196      114.8466 90.40382       74.23935 48.68879 22.22079 60.08557 20.99480 -11.39678      30.57033 
1 1 1 0   -20 10 o 63.64920 16.67353 107.6322       51.33400 97.80631       138.9214 109.1861       55.24397 68.02905 27.53113 63.94755 17.54372 4.081493       32.64576 
1 1 1 0   -20 11 o 34.44279 14.80324 1.573264       43.90703 264.2669       230.8722 -8.284379      44.72326 91.16947 35.95680 32.95295 14.53538 58.21653       38.78361 
1 1 1 0   -19 1  o 205.3474 12.94135 1035.128       126.4046 1035.128       126.4046 0.000000       0.000000 205.3474 12.94135 ?        ?        0.000000       12.94135 
1 1 1 0   -19 2  o 146.6406 12.98990 529.8307       90.12754 529.8307       90.12754 0.000000       0.000000 146.6406 12.98990 ?        ?        0.000000       12.98990 
1 1 1 0   -19 3  o 291.6904 9.968330 2064.264       138.8079 2064.264       138.8079 0.000000       0.000000 291.6904 9.968330 ?        ?        0.000000       9.968330 
1 1 1 0   -19 4  o 133.4773 12.71542 439.2526       80.16296 439.2526       80.16296 0.000000       0.000000 133.4773 12.71542 ?        ?        0.000000       12.71542 
1 1 1 0   -19 5  o 72.87775 16.07225 136.4844       54.49171 126.1403       107.3216 140.0774       63.25147 71.96093 25.23570 73.42061 18.12918 -1.459679      31.07262 
1 1 1 0   -19 6  o 35.59684 15.64352 -10.27388      51.35818 -77.80941      63.80153 114.0385       86.56095 31.86610 15.18031 67.63013 22.69811 -35.76404      27.30652 
1 1 1 0   -19 7  o 124.9975 12.10951 385.6757       71.46085 299.1539       102.3659 467.9218       99.80456 106.6547 20.82300 136.4697 15.57553 -29.81503      26.00374 
1 1 1 0   -19 8  o 85.78747 13.64861 185.6059       54.10499 118.9744       98.73887 214.1978       64.67987 69.27982 24.21210 91.73849 15.28470 -22.45868      28.63299 
1 1 1 0   -19 9  o 134.5592 12.41265 448.5236       78.95267 568.5804       165.6700 413.2444       89.80685 144.8343 24.81814 128.1149 14.94248 16.71938       28.96926 
1 1 1 0   -19 10 o 172.7106 11.48400 734.3123       94.28591 767.8817       157.8507 715.6921       117.5620 172.0976 19.52999 168.9540 14.70047 3.143616       24.44431 
1 1 1 0   -19 11 o 115.8343 16.38240 343.5243       88.19500 251.6094       146.2719 396.0280       110.5509 93.56282 29.36896 122.9518 19.45356 -29.38896      35.22750 
1 1 1 0   -19 12 o 217.7297 12.82899 1176.118       132.9503 1204.287       256.3799 1165.757       155.4907 208.8761 26.25206 215.1891 15.21192 -6.313065      30.34095 
1 1 1 0   -19 13 o 168.1496 12.08168 701.7484       96.47775 691.0613       146.6750 709.8983       128.0866 162.4026 19.26590 166.6800 16.28089 -4.277390      25.22384 
1 1 1 0   -19 14 o 99.56630 16.54263 258.6002       75.98328 200.6782       184.9491 270.3617       83.34146 84.39978 32.49384 101.1758 17.88361 -16.77598      37.09007 
1 1 1 0   -19 15 o 70.63107 19.85315 136.3907       69.81223 -133.0713      186.1183 180.5107       75.31099 55.18756 26.18604 81.27799 19.60856 -26.09044      32.71398 
1 1 1 0   -18 1  o 247.5879 11.95213 1491.371       141.0583 1491.371       141.0583 0.000000       0.000000 247.5879 11.95213 ?        ?        0.000000       11.95213 
1 1 1 0   -18 2  o 244.8852 12.03232 1459.944       140.4393 1459.944       140.4393 0.000000       0.000000 244.8852 12.03232 ?        ?        0.000000       12.03232 
1 1 1 0   -18 3  o 144.3044 12.73147 510.7333       86.93484 510.7333       86.93484 0.000000       0.000000 144.3044 12.73147 ?        ?        0.000000       12.73147 
1 1 1 0   -18 4  o 54.65702 17.20381 73.42815       50.15820 51.12746       61.78411 116.5385       85.90296 50.87308 18.96224 68.69524 22.59849 -17.82217      29.50014 
1 1 1 0   -18 5  o 125.7118 10.48646 385.2485       62.45151 376.9768       79.45646 398.6176       101.0139 123.5098 13.68549 125.8930 17.23506 -2.383263      22.00772 
1 1 1 0   -18 6  o 119.1019 13.78297 351.1590       77.03516 261.9819       130.0954 399.3114       95.59699 98.72315 26.85636 126.3226 16.20159 -27.59945      31.36488 
1 1 1 0   -18 7  o 87.31502 12.51351 189.3197       50.74551 287.1841       89.08784 142.3162       61.74067 106.1191 18.21548 74.31271 17.64303 31.80642       25.35902 
1 1 1 0   -18 8  o 129.4727 13.02604 413.2125       79.53577 479.2366       152.8128 388.6812       93.14688 134.8073 24.61717 124.5774 16.00903 10.22982       29.36485 
1 1 1 0   -18 9  o 100.6521 13.03571 251.3317       61.25675 234.2228       101.8167 261.0379       76.68890 94.08681 22.86278 101.6063 16.34114 -7.519531      28.10230 
1 1 1 0   -18 10 o 98.85413 15.23304 245.9331       69.68369 412.1474       173.5363 213.9799       76.08746 121.9268 29.98272 91.18419 18.09242 30.74256       35.01856 
1 1 1 0   -18 11 o 113.9773 15.48224 326.5136       82.18545 376.4662       128.8096 292.2159       106.7337 119.1489 23.44793 105.2832 21.91835 13.86572       32.09703 
1 1 1 0   -18 12 o 119.5342 16.41060 361.9903       91.31036 203.0055       201.5315 403.0578       102.4269 89.83054 34.08197 125.7697 17.50853 -35.93920      38.31618 
1 1 1 0   -18 13 o 84.91032 17.48066 187.3820       68.59635 130.8129       105.9023 228.2715       90.03709 72.03576 25.08155 92.64427 20.83479 -20.60851      32.60633 
1 1 1 0   -18 14 o 215.5058 11.12691 1139.036       114.2533 1275.484       184.4650 1054.112       145.5282 224.1283 17.35007 205.2237 14.93461 18.90462       22.89252 
1 1 1 0   -18 15 o 108.4233 19.71753 309.9875       98.44376 234.3119       181.9607 341.3040       117.0540 91.09447 32.76591 112.3786 22.57135 -21.28413      39.78783 
1 1 1 0   -18 16 o 69.58653 23.29124 127.1217       91.15038 177.7771       200.4585 113.9181       102.3426 84.19215 33.40996 67.84069 24.55051 16.35146       41.46026 
1 1 1 0   -18 17 o 66.60746 22.34662 116.9367       83.90148 185.7713       202.2247 102.6241       92.21255 83.89523 33.47004 64.32973 23.30052 19.56551       40.78183 
1 1 1 0   -18 18 o 197.7299 14.49286 991.3756       136.0528 1087.154       376.0891 976.9539       145.9368 167.4534 45.70782 195.2671 15.76642 -27.81367      48.35064 
1 1 1 0   -17 1  o 140.1646 13.30977 481.3660       88.12131 481.3660       88.12131 0.000000       0.000000 140.1646 13.30977 ?        ?        0.000000       13.30977 
1 1 1 0   -17 2  o 76.24634 16.98883 147.9811       60.34319 147.9811       60.34319 0.000000       0.000000 76.24634 16.98883 ?        ?        0.000000       16.98883 
1 1 1 0   -17 3  o 173.4820 8.776788 726.2842       72.55798 734.1749       94.45700 714.9262       113.3259 173.8586 11.42731 170.8804 13.99414 2.978241       18.06708 
1 1 1 0   -17 4  o 142.4146 10.34195 492.0172       69.93524 438.5384       99.30094 544.6482       98.51053 133.0460 15.92759 149.0105 13.99164 -15.96449      21.20033 
1 1 1 0   -17 5  o 48.38860 18.01255 45.19974       55.71492 37.46663       80.17414 52.42194       77.48046 52.61783 21.04676 54.71999 21.04078 -2.102154      29.76038 
1 1 1 0   -17 6  o 107.7694 10.94496 283.4964       55.61068 321.7177       88.44463 258.5063       71.51603 113.4047 16.82209 101.8795 15.14257 11.52513       22.63361 
1 1 1 0   -17 7  o 301.2135 9.408366 2189.281       135.3207 1990.915       258.3708 2264.263       158.8505 283.0596 19.20599 305.8540 10.88074 -22.79434      22.07398 
1 1 1 0   -17 8  o 104.7125 13.79172 271.4121       67.36692 336.3104       139.8646 251.8080       76.87135 112.6732 26.42469 100.0215 16.66126 12.65174       31.23879 
1 1 1 0   -17 9  o 200.1073 10.42325 970.9666       99.37446 988.6906       158.9637 959.5967       127.3194 199.7058 16.80518 197.9725 13.53321 1.733322       21.57688 
1 1 1 0   -17 10 o 131.8682 13.31067 427.9916       82.76929 349.2375       171.2489 451.9968       94.54597 112.9520 30.84806 135.0779 14.88690 -22.12582      34.25234 
1 1 1 0   -17 11 f 144.3143 11.34405 508.3113       77.63953 586.8084       135.3213 469.7918       94.79378 152.4790 18.97219 137.7632 14.61528 14.71577       23.94891 
1 1 1 0   -17 12 o 40.53295 16.06246 23.25521       46.27337 -55.23240      188.9993 28.26004       47.72589 64.43907 29.04739 42.13366 16.42793 22.30541       33.37106 
1 1 1 0   -17 13 o 34.78801 15.94318 -38.86855      59.94103 -249.5217      91.93546 116.8898       79.05418 30.12691 15.08350 68.10368 21.61890 -37.97678      26.36074 
1 1 1 0   -17 14 o 187.7460 11.38178 860.1556       101.6821 789.6199       190.3274 888.3293       120.2872 174.2554 23.43973 190.0990 13.31950 -15.84360      26.95979 
1 1 1 0   -17 15 o 249.0483 9.357139 1504.074       111.2147 1710.390       174.0732 1361.773       144.5673 263.4009 13.87203 235.4494 12.89213 27.95149       18.93780 
1 1 1 0   -17 16 o 87.54985 20.94941 203.7867       86.51293 239.1177       195.6513 195.1997       96.45485 93.68649 33.93912 85.12084 23.11180 8.565643       41.06116 
1 1 1 0   -17 17 o 154.2909 14.86437 597.0791       108.2911 782.6990       339.3412 576.0325       114.2656 151.6087 44.14735 150.9294 16.08301 0.6793213      46.98565 
1 1 1 0   -17 18 o 40.47752 16.94748 11.86981       55.04935 265.8804       351.2083 5.472016       55.73831 100.4919 42.48224 39.53772 16.82755 60.95420       45.69362 
1 1 1 0   -17 19 o 91.76797 16.45552 218.4491       69.54341 222.6099       171.5627 217.6310       76.07354 88.43260 31.81500 90.87949 18.14469 -2.446884      36.62545 
1 1 1 0   -17 20 o 24.10067 11.84483 -93.10683      47.41638 -120.0514      168.2558 -90.78235      49.41935 53.47207 25.23005 25.08277 12.27905 28.38930       28.05941 
1 1 1 0   -17 21 o 66.59914 23.35387 117.1484       91.91145 174.5785       186.9303 98.83739       105.5518 80.55827 32.16590 64.43414 24.61294 16.12413       40.50237 
1 1 1 0   -16 1  o 382.8744 12.19857 3549.503       223.0072 3549.503       223.0072 0.000000       0.000000 382.8744 12.19857 ?        ?        0.000000       12.19857 
1 1 1 0   -16 2  o 348.4640 14.48486 2956.527       240.7868 2956.527       240.7868 0.000000       0.000000 348.4640 14.48486 ?        ?        0.000000       14.48486 
1 1 1 0   -16 3  o 213.9842 20.35736 1140.529       205.7568 1140.529       205.7568 0.000000       0.000000 213.9842 20.35736 ?        ?        0.000000       20.35736 
1 1 1 0   -16 4  o 71.10635 25.11848 114.4315       106.4674 114.4315       106.4674 0.000000       0.000000 71.10635 25.11848 ?        ?        0.000000       25.11848 
1 1 1 0   -16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -16 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -16 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -16 9  o 98.65909 16.73094 244.3906       76.09949 0.000000       0.000000 244.3906       76.09949 ?        ?        98.65909 16.73094 0.000000       16.73094 
1 1 1 0   -16 10 o 173.1356 11.33650 727.6192       93.32080 675.5614       174.8748 748.3467       110.3462 162.9637 23.09136 175.1060 13.28000 -12.14230      26.63774 
1 1 1 0   -16 11 o 513.4882 18.66012 6509.475       457.3307 6660.297       651.3514 6362.829       642.2708 510.9612 26.75686 499.0883 27.01809 11.87299       38.02508 
1 1 1 0   -16 12 o 153.8791 12.68245 578.5166       92.47450 606.6574       196.5674 570.5182       104.7955 151.6683 28.14465 152.2823 14.57164 -0.6140594     31.69312 
1 1 1 0   -16 13 o 61.75557 17.52018 96.68443       54.11049 7.920794       95.77069 138.3071       65.58128 51.73437 22.03943 73.33549 18.66169 -21.60112      28.87897 
1 1 1 0   -16 14 o 119.9630 15.53895 358.6364       87.02869 368.0924       169.9827 355.2771       101.3147 116.1310 30.30137 118.4190 18.50024 -2.287994      35.50256 
1 1 1 0   -16 15 o 209.1593 10.55067 1062.138       105.1625 1248.488       176.2782 959.1704       131.0337 224.3710 16.54973 197.5842 13.96137 26.78671       21.65210 
1 1 1 0   -16 16 o 167.0357 11.92988 681.9444       94.64224 762.2242       154.8201 634.0445       119.5891 173.8704 18.93016 159.6816 15.87495 14.18883       24.70557 
1 1 1 0   -16 17 o 225.3760 11.26510 1237.510       120.9963 1026.405       226.1661 1322.158       143.2148 198.4524 24.34715 232.2816 12.94752 -33.82924      27.57575 
1 1 1 0   -16 18 o 54.91858 18.43493 72.47310       57.09840 -33.28188      126.8728 99.33289       63.93953 53.65161 24.02276 62.52944 19.38541 -8.877827      30.86887 
1 1 1 0   -16 19 o 180.8596 12.89230 808.0118       110.7448 768.4252       201.4897 825.1470       132.5637 168.5963 25.81823 181.5348 15.41990 -12.93855      30.07248 
1 1 1 0   -16 20 o 139.3787 14.86398 488.4474       97.52010 538.6624       295.6382 482.3165       103.3020 126.9745 41.93037 137.9874 15.95232 -11.01287      44.86237 
1 1 1 0   -16 21 o 167.5913 16.43572 714.0145       129.9970 218.2052       316.3368 814.7578       142.5938 94.88557 40.22446 178.8272 16.87822 -83.94165      43.62203 
1 1 1 0   -16 22 o 111.7255 17.87398 326.9878       92.25659 343.7592       215.8473 323.2391       102.0475 103.3109 35.81697 109.8119 20.18115 -6.500969      41.11124 
1 1 1 0   -16 23 o 64.69171 25.53078 92.20007       116.4643 125.4407       213.4291 78.10501       138.9800 77.51231 32.95692 65.48639 27.13312 12.02592       42.68916 
1 1 1 0   -15 1  o 333.3962 9.748730 2676.518       155.2210 2676.518       155.2210 0.000000       0.000000 333.3962 9.748730 ?        ?        0.000000       9.748730 
1 1 1 0   -15 2  o 231.2771 8.215631 1286.142       90.69672 1370.222       108.9254 1096.072       163.7716 238.4808 9.573063 211.6154 16.31346 26.86540       18.91488 
1 1 1 0   -15 3  o 562.2582 8.083182 7591.205       217.2834 7584.208       227.2241 7665.972       742.7333 561.8787 8.458696 550.6143 28.30985 11.26434       29.54652 
1 1 1 0   -15 4  o 113.2583 11.07897 312.1415       59.22343 375.8641       99.38384 277.0535       73.74775 122.9616 17.39072 105.8274 14.99562 17.13412       22.96314 
1 1 1 0   -15 5  o 75.57724 16.94019 144.6336       59.69185 179.3298       94.38320 121.5045       77.06071 83.69484 22.91911 69.86696 21.21213 13.82788       31.22883 
1 1 1 0   -15 6  o 107.4159 14.80868 285.1656       74.02758 231.6939       113.7051 324.5049       97.52842 94.64771 24.82530 113.7463 18.57481 -19.09863      31.00514 
1 1 1 0   -15 7  o 276.0245 12.14233 1844.377       159.8432 1828.076       228.5238 1859.992       223.6594 272.9278 17.60755 275.5253 17.06293 -2.597473      24.51875 
1 1 1 0   -15 8  f 189.9154 10.12198 871.3060       91.57199 985.2322       144.0735 794.0881       118.6128 200.7374 15.12353 180.4406 13.85557 20.29684       20.51092 
1 1 1 0   -15 9  o 129.6411 10.98689 408.3804       67.45599 383.0110       105.9680 425.6644       87.46664 123.6871 18.48651 131.7002 14.11119 -8.013046      23.25676 
1 1 1 0   -15 10 o 280.8898 8.998516 1900.340       120.6853 2112.230       198.3052 1775.697       152.0944 294.5593 14.12278 270.7818 11.77674 23.77750       18.38870 
1 1 1 0   -15 11 o 219.7636 10.91388 1168.713       114.3096 1406.064       173.9241 988.2204       151.6680 239.7621 15.25204 200.6201 15.94393 39.14195       22.06431 
1 1 1 0   -15 12 o 266.8150 11.82688 1725.126       150.4902 1947.149       224.3539 1543.520       202.9090 281.6274 16.73840 250.5143 17.04332 31.11308       23.88826 
1 1 1 0   -15 13 o 236.9068 10.00655 1355.346       113.0813 1173.220       190.9051 1453.789       140.3541 217.6853 18.51905 244.8315 12.02764 -27.14622      22.08211 
1 1 1 0   -15 14 f 286.7505 10.00356 1985.136       136.9309 2043.159       251.4904 1960.687       163.2509 287.5921 18.38726 284.3508 12.03583 3.241333       21.97618 
1 1 1 0   -15 15 o 215.2026 10.54269 1121.229       108.1393 1276.644       178.1295 1030.520       136.0861 227.6590 16.47752 205.3125 13.94684 22.34653       21.58756 
1 1 1 0   -15 16 o 123.9161 16.43742 383.4250       94.98048 548.0253       189.6134 328.2894       109.7411 143.3026 28.67798 112.9779 21.09293 30.32472       35.59969 
1 1 1 0   -15 17 o 202.6851 11.30149 998.9814       109.0794 783.0156       177.4131 1130.238       138.3103 175.3580 21.61896 214.8563 13.53350 -39.49831      25.50558 
1 1 1 0   -15 18 o 133.3736 12.97611 437.6002       81.69657 413.6366       143.4185 449.1113       99.40014 125.1881 24.83962 134.2439 15.78915 -9.055771      29.43304 
1 1 1 0   -15 19 o 87.97207 20.94328 202.3923       86.81046 189.0154       273.5109 203.8909       91.54381 95.68933 38.66433 88.09129 21.84445 7.598045       44.40844 
1 1 1 0   -15 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -15 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -15 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -15 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -15 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -15 25 o 146.0893 23.97253 596.9170       161.6305 865.1636       391.9937 541.9689       177.4142 141.1006 48.29387 135.2217 28.35065 5.878876       56.00050 
1 1 1 0   -14 1  o 207.3158 7.872624 1032.673       77.88797 969.5991       107.6820 1101.881       112.7963 200.3286 11.28893 213.6364 11.08149 -13.30786      15.81896 
1 1 1 0   -14 2  o 223.6924 7.864766 1202.063       83.97871 1237.355       118.4947 1166.449       119.0348 226.4324 10.97863 219.7574 11.36845 6.674973       15.80417 
1 1 1 0   -14 3  o 431.5866 9.492015 4477.115       195.8550 4099.367       449.1449 4565.809       217.6369 406.8909 23.18469 435.5876 10.45078 -28.69675      25.43125 
1 1 1 0   -14 4  o 137.5496 9.590775 457.0146       62.67467 474.1203       86.05931 437.6957       91.45754 139.5088 13.05453 133.6858 14.54370 5.823044       19.54329 
1 1 1 0   -14 5  o 64.42799 14.83615 104.5376       44.75428 43.58504       89.37600 124.9356       51.70337 56.12215 22.29650 70.39828 15.75588 -14.27613      27.30168 
1 1 1 0   -14 6  o 180.3588 10.96459 786.3365       94.09821 746.0601       145.2346 815.4760       123.5337 174.1040 17.69382 182.9982 14.23166 -8.894180      22.70707 
1 1 1 0   -14 7  o 143.4001 10.72317 497.8883       72.98354 457.0501       114.0334 526.2233       94.98625 135.7601 18.01328 146.8768 13.68438 -11.11674      22.62168 
1 1 1 0   -14 8  f 391.0338 9.685464 3677.593       181.0686 3690.500       397.9783 3674.224       203.3322 386.5042 21.62379 390.3878 10.90504 -3.883606      24.21793 
1 1 1 0   -14 9  o 198.9118 10.88444 956.1371       103.1138 1016.257       156.6362 910.1583       136.9820 203.7795 16.21121 193.1250 14.95238 10.65448       22.05395 
1 1 1 0   -14 10 o 173.3964 11.11200 727.7676       91.63241 718.5645       168.4562 731.6350       109.2012 169.5490 21.24708 173.4019 13.27331 -3.852890      25.05233 
1 1 1 0   -14 11 o 236.3502 11.28467 1350.436       127.1443 1469.157       190.7285 1255.482       170.5733 245.0643 16.37290 226.6321 15.84255 18.43224       22.78285 
1 1 1 0   -14 12 o 409.2124 15.57071 4081.276       304.0693 4151.974       435.3639 4013.947       424.8661 408.6154 22.37120 401.8664 22.19999 6.749054       31.51682 
1 1 1 0   -14 13 o 248.0741 9.971864 1484.944       118.0267 1404.795       180.9566 1544.285       155.7050 239.5551 15.88993 252.1892 12.95765 -12.63405      20.50343 
1 1 1 0   -14 14 o 36.60625 16.76294 -43.68926      66.08492 -132.9408      85.64407 87.65216       103.8940 34.95018 16.89054 66.02519 24.59336 -31.07501      29.83494 
1 1 1 0   -14 15 o 199.3859 11.82156 964.6456       112.1821 1010.900       180.4480 935.5066       143.2235 201.8456 18.91979 195.3118 15.46444 6.533783       24.43578 
1 1 1 0   -14 16 o 283.1322 10.58428 1936.961       143.0191 1759.969       245.0308 2028.415       176.1351 266.5307 19.36139 289.0486 12.77736 -22.51797      23.19751 
1 1 1 0   -14 17 o 99.35626 22.04962 254.9695       102.0019 22.52042       174.5862 375.4363       125.6840 69.69477 29.72595 120.9035 22.57364 -51.20870      37.32561 
1 1 1 0   -14 18 o 226.1559 11.65402 1242.107       125.5812 1605.379       200.5959 1007.964       161.0449 255.2497 16.52682 201.9063 16.83667 53.34338       23.59257 
1 1 1 0   -14 19 o 221.9242 12.18317 1199.732       128.7668 1342.266       196.4793 1092.422       170.4828 232.3674 17.82218 209.8118 17.14520 22.55568       24.73030 
1 1 1 0   -14 20 o 96.85371 19.28298 241.3194       86.14941 298.3697       217.9635 230.7569       93.78594 105.0741 36.01034 94.05981 21.34644 11.01431       41.86185 
1 1 1 0   -14 21 o 50.64954 22.75651 -40.23584      114.9264 40.59425       226.5096 -68.25820      133.3682 77.81223 33.53479 52.37133 23.91831 25.44090       41.19062 
1 1 1 0   -14 22 o 128.1099 23.45716 432.5905       138.3773 445.5520       377.7125 430.5811       148.7169 121.7028 46.54232 126.8407 25.41047 -5.137939      53.02716 
1 1 1 0   -14 23 o 77.76520 22.94714 160.9583       91.16029 546.0059       396.1085 139.4240       93.67474 126.8103 47.85620 73.19480 23.56503 53.61546       53.34348 
1 1 1 0   -14 24 o 59.40580 25.93942 6.699606       139.2034 305.2315       397.6797 -34.98637      148.6048 105.7440 44.97470 57.24146 25.78396 48.50255       51.84146 
1 1 1 0   -14 25 o 167.2731 15.89230 708.7579       125.5681 283.7722       234.0590 880.5040       148.7927 97.89241 36.82088 185.8991 16.92701 -88.00673      40.52532 
1 1 1 0   -14 26 o 62.26279 27.73901 2.203399       166.9385 16.13607       215.9078 -18.50752      263.2393 69.79509 31.28797 72.69159 33.35012 -2.896500      45.72929 
1 1 1 0   -14 27 o 42.71379 20.64443 -161.0605      128.0170 -424.7870      218.6099 -23.42447      157.9280 48.14354 23.97151 58.00279 26.30938 -9.859253      35.59237 
1 1 1 0   -13 1  o 223.3164 7.824385 1196.919       83.40798 1058.420       117.9317 1335.535       117.9817 209.4236 11.82674 235.5422 10.50343 -26.11865      15.81752 
1 1 1 0   -13 2  o 60.22970 14.38469 91.03648       40.84957 134.2048       53.19455 28.98983       63.77400 73.14355 15.68272 47.33585 18.82501 25.80770       24.50161 
1 1 1 0   -13 3  o 337.5596 9.771184 2738.559       157.5247 2648.828       181.5834 3011.475       316.6794 331.6404 11.46976 351.4494 18.91699 -19.80899      22.12257 
1 1 1 0   -13 4  o 183.6484 10.05413 812.6417       87.93870 844.3126       126.0713 782.6299       122.7244 186.4747 14.24918 179.4587 14.42544 7.016022       20.27640 
1 1 1 0   -13 5  o 155.0845 9.988090 580.2334       73.66203 517.3651       106.5442 637.8024       101.9549 145.4142 15.56747 162.0841 13.27323 -16.66989      20.45788 
1 1 1 0   -13 6  o 207.5773 10.94593 1039.429       108.2438 962.1698       158.4939 1106.966       148.1853 198.4379 16.86592 213.4950 14.60606 -15.05702      22.31135 
1 1 1 0   -13 7  o 152.3657 10.23815 560.6693       74.14621 671.4329       116.5954 485.4619       96.07556 165.9368 14.85400 140.9737 14.45969 24.96315       20.72978 
1 1 1 0   -13 8  f 259.0829 9.427568 1614.961       116.5795 1570.898       211.4528 1634.204       139.7350 253.5123 17.55483 260.2689 11.25648 -6.756577      20.85379 
1 1 1 0   -13 9  o 89.66375 12.71828 197.7943       52.99174 175.2529       95.11555 207.9402       63.81278 83.03911 23.11282 91.48219 15.11784 -8.443085      27.61795 
1 1 1 0   -13 10 o 95.83746 14.40702 227.1010       63.97054 177.0028       97.33121 265.1995       84.87801 83.43894 23.43766 102.9194 17.89959 -19.48048      29.49100 
1 1 1 0   -13 11 o 201.6904 11.20604 983.0484       107.6304 1025.765       161.0758 948.5912       144.6677 204.7437 16.59772 197.1446 15.47284 7.599091       22.69125 
1 1 1 0   -13 12 o 265.3219 9.573044 1694.995       121.2325 1549.876       189.9089 1794.810       157.5004 252.1020 15.83654 272.4468 12.12217 -20.34480      19.94350 
1 1 1 0   -13 13 o 216.8782 10.51663 1135.436       108.7188 1162.594       169.6359 1116.505       141.6294 217.9647 16.39909 214.2804 13.89992 3.684357       21.49740 
1 1 1 0   -13 14 o 51.57801 18.50306 55.79754       57.98242 1.193327       138.0081 67.50209       63.89528 61.05540 26.24297 55.48262 19.47067 5.572784       32.67721 
1 1 1 0   -13 15 o 120.7875 12.51460 356.4844       71.22241 336.5428       110.6580 370.5877       93.05988 115.1717 20.86490 122.2806 16.32583 -7.108902      26.49296 
1 1 1 0   -13 16 o 211.1601 11.87973 1081.076       119.4461 1123.916       183.5893 1049.631       157.2886 213.3472 18.17194 206.8668 16.02866 6.480362       24.23092 
1 1 1 0   -13 17 f 244.7759 12.20998 1453.287       142.4357 1378.454       209.0192 1518.164       194.6198 236.0967 18.66959 248.7437 16.45794 -12.64694      24.88810 
1 1 1 0   -13 18 o 200.3399 12.75729 976.2127       121.5548 766.1773       205.9358 1088.516       150.5851 172.7684 25.71467 210.9087 15.03266 -38.14027      29.78633 
1 1 1 0   -13 19 o 121.9913 16.80243 370.7393       95.39606 310.1909       137.6760 426.6557       132.3050 108.5566 26.71226 129.2556 22.21027 -20.69901      34.73962 
1 1 1 0   -13 20 o 298.9623 13.64217 2179.112       194.4744 2005.158       285.0536 2330.579       265.9915 282.8518 21.23446 306.8888 18.21108 -24.03699      27.97402 
1 1 1 0   -13 21 o 90.08610 18.23586 207.5729       75.84217 372.6415       138.8203 137.3400       90.55049 118.8849 25.20712 73.65923 23.10558 45.22567       34.19454 
1 1 1 0   -13 22 o 162.9131 17.27423 663.2003       132.4958 413.3078       247.2468 763.8729       156.9314 120.2085 38.24150 174.1225 19.16823 -53.91407      42.77655 
1 1 1 0   -13 23 o 62.99850 22.69576 88.76604       87.34190 257.1690       642.4564 85.59494       88.16040 121.3159 54.20763 62.49834 22.76163 58.81755       58.79250 
1 1 1 0   -13 24 o 145.1315 19.80596 539.8352       133.8430 777.7001       254.1441 448.5427       157.4463 165.7619 33.22722 128.7979 26.45504 36.96399       42.47255 
1 1 1 0   -13 25 o 115.5126 18.60290 344.7813       99.24655 1121.852       263.9442 216.8229       107.1067 202.2471 28.05165 89.20014 24.41043 113.0469       37.18554 
1 1 1 0   -13 26 o 131.1186 23.68905 464.9755       143.0340 807.3304       265.4324 324.8804       169.7959 163.6832 34.98021 105.1034 31.39384 58.57983       47.00200 
1 1 1 0   -13 27 o 196.7494 15.97370 982.2463       148.9631 1004.850       307.4434 975.3121       170.2865 178.2904 37.27026 194.1093 18.57593 -15.81891      41.64297 
1 1 1 0   -13 28 o 120.4389 19.55455 387.7732       108.7377 277.0735       195.4092 437.4263       130.8715 93.86559 33.92994 125.9789 22.55735 -32.11329      40.74401 
1 1 1 0   -12 1  o 46.03331 14.86626 49.53500       37.26239 115.4068       48.98227 -40.95181      57.40926 67.87312 15.44383 33.99821 15.58927 33.87490       21.94396 
1 1 1 0   -12 2  o 323.8184 12.97485 2525.443       200.4621 2524.559       284.0743 2526.319       282.9215 322.5239 18.50068 322.6584 18.41714 -0.1345215     26.10491 
1 1 1 0   -12 3  o 484.8342 7.647345 5631.077       177.2606 5565.708       253.0294 5694.077       248.4034 481.4652 10.99253 487.0481 10.66786 -5.582886      15.31793 
1 1 1 0   -12 4  o 253.7933 8.914282 1546.218       107.9941 1402.266       190.6207 1614.261       131.0552 240.3789 16.69056 259.1011 10.60217 -18.72221      19.77324 
1 1 1 0   -12 5  o 133.5763 9.901941 430.4854       62.78541 438.5132       90.53977 423.0490       87.14165 134.1551 14.33846 131.7929 14.04630 2.362198       20.07212 
1 1 1 0   -12 6  o 209.5107 9.547311 1055.388       95.37897 1118.832       168.8408 1025.653       115.5890 214.5082 16.59252 206.2190 11.77302 8.289185       20.34492 
1 1 1 0   -12 7  o 153.9229 10.76762 571.9373       78.73785 797.6489       137.9883 462.9646       95.87917 180.9604 16.11812 137.7458 14.79060 43.21463       21.87592 
1 1 1 0   -12 8  o 213.8809 9.401272 1100.054       95.89693 1181.712       162.7636 1056.637       118.6840 220.5889 15.53283 209.2286 11.91411 11.36026       19.57587 
1 1 1 0   -12 9  o 167.6078 11.01877 678.4066       87.80518 855.2947       153.8282 592.9222       106.9375 186.9940 17.40669 156.0356 14.50095 30.95837       22.65548 
1 1 1 0   -12 10 o 144.3430 12.24498 505.4806       83.70438 481.2053       150.5037 516.3520       100.7183 138.0952 23.64599 145.4367 14.68623 -7.341553      27.83556 
1 1 1 0   -12 11 o 277.9937 12.45529 1867.000       165.1175 1780.312       238.5457 1946.737       228.7829 269.6989 18.61471 282.6099 17.01152 -12.91098      25.21704 
1 1 1 0   -12 12 o 257.2180 10.10713 1593.465       124.0484 1705.458       209.7596 1533.231       153.8318 264.4483 16.67591 251.7255 12.82460 12.72276       21.03703 
1 1 1 0   -12 13 o 340.5167 13.59273 2807.236       220.8411 2941.292       315.3306 2678.185       309.3871 346.4525 19.11173 330.3022 19.68141 16.15030       27.43385 
1 1 1 0   -12 14 o 38.39426 16.42322 -1.070716      53.56838 27.40733       129.1196 -6.991451      58.87419 62.38979 26.02633 39.26087 17.00879 23.12891       31.09130 
1 1 1 0   -12 15 o 268.6418 12.08086 1745.159       154.7631 1852.905       224.0562 1646.846       214.0244 275.2661 17.10994 259.3636 17.36016 15.90247       24.37469 
1 1 1 0   -12 16 o 56.90704 19.06258 75.13232       61.05571 -66.32171      148.8963 103.7248       66.94259 56.96187 25.71984 64.80888 19.78950 -7.847015      32.45203 
1 1 1 0   -12 17 o 349.9314 14.09983 2974.530       235.4046 3048.615       339.0813 2905.601       327.0684 351.3148 20.27438 343.0843 20.02727 8.230469       28.49811 
1 1 1 0   -12 18 o 132.8472 12.93926 431.2791       81.14059 424.3076       130.7428 435.6464       103.4801 129.2189 21.94757 132.5841 16.69444 -3.365158      27.57535 
1 1 1 0   -12 19 o 242.3871 12.77016 1427.006       147.4618 1351.964       225.4470 1483.118       194.9470 233.0494 20.44108 245.7618 16.69085 -12.71237      26.38981 
1 1 1 0   -12 20 o 104.0103 19.88990 275.2523       95.30154 141.4459       133.9092 412.5832       135.6613 78.80319 28.13649 126.8010 23.23414 -47.99780      36.48955 
1 1 1 0   -12 21 o 143.0649 13.43589 501.1373       90.82278 600.8557       151.1442 444.7818       113.6246 154.3360 21.03064 133.3344 18.30753 21.00154       27.88285 
1 1 1 0   -12 22 o 73.76524 20.76600 139.5367       76.31861 -81.78637      139.2939 234.4753       91.23058 52.98993 24.29212 95.37029 20.61098 -42.38037      31.85780 
1 1 1 0   -12 23 o 78.52152 27.43774 148.7748       126.7973 -149.2815      250.6783 251.2514       146.9874 68.80740 31.91418 96.98875 29.26410 -28.18134      43.30014 
1 1 1 0   -12 24 o 232.5478 14.22561 1328.894       157.4014 1571.630       291.5381 1229.029       186.9976 246.2061 25.11938 221.9185 17.77368 24.28760       30.77152 
1 1 1 0   -12 25 o 135.9720 18.38869 468.5795       116.4776 666.2516       424.4314 452.4797       121.1281 142.2023 50.15926 133.0670 19.62868 9.135330       53.86313 
1 1 1 0   -12 26 o 105.9795 27.17475 310.1574       138.3295 152.6932       257.8489 373.7904       163.9138 89.09284 36.93984 115.2611 29.59508 -26.16830      47.33308 
1 1 1 0   -12 27 o 149.0533 15.73690 560.6320       110.4513 446.6515       192.7353 616.3693       134.7781 122.9931 32.35036 154.8153 18.58026 -31.82224      37.30646 
1 1 1 0   -12 28 o 133.4986 21.03087 472.4725       129.7912 34.53177       183.9064 907.0574       183.2005 68.58625 29.88373 185.7388 20.99858 -117.1526      36.52366 
1 1 1 0   -12 29 o 162.3081 18.77038 690.5905       142.9726 672.8316       208.9418 706.2272       196.0601 150.5058 30.09027 157.2050 27.06259 -6.699234      40.46984 
1 1 1 0   -12 30 o 62.90092 23.88076 94.79530       98.98409 -121.6547      181.2679 186.7609       118.1557 54.88857 25.98487 80.13135 26.50981 -25.24278      37.12120 
1 1 1 0   -11 1  o 298.1391 6.879961 2127.459       98.06485 2021.500       130.1500 2266.620       149.1535 290.3123 9.389492 307.3412 10.16488 -17.02899      13.83789 
1 1 1 0   -11 2  o 220.5543 10.98556 1169.436       115.4720 0.000000       0.000000 1169.436       115.4720 ?        ?        220.5543 10.98556 0.000000       10.98556 
1 1 1 0   -11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -11 4  o 473.0443 9.905547 5363.858       224.0210 5370.976       246.1430 5329.515       540.6791 473.2240 10.87959 467.7289 24.26186 5.495117       26.58953 
1 1 1 0   -11 5  o 669.8256 10.43879 10759.32       334.2875 9872.088       1001.281 10870.62       354.6355 631.6939 33.27170 673.1589 11.01936 -41.46497      35.04900 
1 1 1 0   -11 6  o 514.5667 7.880180 6341.555       193.8591 6392.300       283.0321 6296.710       266.0697 516.0676 11.47152 512.3017 10.86329 3.765869       15.79895 
1 1 1 0   -11 7  o 409.5049 15.40769 4045.777       301.1132 4025.075       428.1635 4066.036       423.5508 406.4867 22.11535 408.6780 21.75623 -2.191315      31.02293 
1 1 1 0   -11 8  o 349.0972 9.549637 2924.873       159.2331 2675.094       321.9777 3005.741       183.2054 331.4640 20.41709 353.6904 10.84727 -22.22641      23.11971 
1 1 1 0   -11 9  o 410.2664 9.916439 4038.723       194.5047 3982.192       426.9101 4053.532       218.5006 403.7810 22.20018 410.6674 11.13923 -6.886444      24.83809 
1 1 1 0   -11 10 o 247.5844 11.70349 1476.809       138.1388 1473.482       200.1146 1479.837       190.9248 246.2204 17.10627 246.9482 16.26192 -0.7277832     23.60243 
1 1 1 0   -11 11 o 251.6475 10.06983 1523.023       120.9053 1463.110       205.1573 1554.904       149.6551 245.1020 17.62549 253.8836 12.36679 -8.781555      21.53126 
1 1 1 0   -11 12 o 199.8888 11.13319 963.7900       105.9734 779.4820       152.6853 1135.100       147.2031 178.2753 18.16783 216.3771 14.31010 -38.10173      23.12680 
1 1 1 0   -11 13 o 109.7626 16.32132 298.1098       83.04574 130.9357       130.5252 411.8087       107.6435 77.62917 27.77173 128.9936 17.93943 -51.36446      33.06195 
1 1 1 0   -11 14 o 352.4112 10.15410 2988.617       170.9017 3114.292       338.7888 2945.721       197.9308 356.4076 19.96240 349.4474 11.86461 6.960205       23.22211 
1 1 1 0   -11 15 o 114.3002 14.30998 320.8515       76.48887 390.1153       103.1336 236.1811       114.0283 125.4195 17.69069 95.87698 24.71854 29.54257       30.39682 
1 1 1 0   -11 16 o 200.8918 11.12602 975.0450       106.4414 916.5102       161.3744 1020.123       141.6155 193.1851 17.66779 204.7383 14.56289 -11.55324      22.89604 
1 1 1 0   -11 17 o 487.4870 10.69825 5723.179       249.3354 6172.894       599.1328 5628.979       274.2086 497.3332 25.28100 483.0434 11.87371 14.28983       27.93052 
1 1 1 0   -11 18 o 214.1984 11.54757 1109.950       117.8166 1161.384       184.2994 1074.406       153.2106 217.3479 17.89455 209.7652 15.38432 7.582703       23.59856 
1 1 1 0   -11 19 o 331.2743 12.41871 2656.793       196.3374 2599.186       254.8516 2740.905       307.9501 326.1368 16.39739 333.4980 19.39802 -7.361145      25.39996 
1 1 1 0   -11 20 o 142.0862 13.11806 493.1437       88.10516 640.0403       143.5451 404.3548       111.5994 160.2981 19.10625 126.9948 18.96085 33.30331       26.91770 
1 1 1 0   -11 21 o 216.5922 12.49424 1139.568       128.8291 1378.880       199.1823 967.4517       168.9188 236.4856 17.74669 197.7567 18.06578 38.72894       25.32424 
1 1 1 0   -11 22 o 194.7417 12.67910 922.5796       117.4054 974.6165       184.0758 886.8939       152.4363 197.8131 19.72679 189.6156 16.99541 8.197525       26.03824 
1 1 1 0   -11 23 o 184.7280 16.49318 842.0271       144.1312 505.3587       270.0733 976.0974       170.4303 134.0468 39.48207 198.3556 18.17365 -64.30878      43.46395 
1 1 1 0   -11 24 o 96.01937 21.56523 239.5428       96.57024 -160.1232      263.9649 301.3010       103.7636 70.40703 32.68806 108.1959 20.81536 -37.78891      38.75292 
1 1 1 0   -11 25 o 48.56789 22.72998 -113.0086      131.7849 -88.22770      268.6239 -120.8633      151.2354 74.80107 34.07864 52.39324 24.46439 22.40783       41.95068 
1 1 1 0   -11 26 o 316.5307 15.36077 2471.447       231.7601 2619.904       388.3419 2389.322       288.8356 317.2037 25.83094 308.1650 19.70794 9.038696       32.49062 
1 1 1 0   -11 27 o 128.4471 18.97333 422.2553       113.0111 450.6308       272.2791 416.3496       124.2159 122.0135 40.23749 126.4925 21.29588 -4.479042      45.52549 
1 1 1 0   -11 28 o 135.4496 24.37637 494.6798       152.0499 634.0675       279.0831 435.8404       181.3241 141.3366 39.68288 122.8974 30.89784 18.43921       50.29322 
1 1 1 0   -11 29 o 171.9760 17.09854 754.1887       138.7235 530.0839       306.8120 811.7766       155.5293 124.1616 42.71801 177.4790 18.60602 -53.31737      46.59413 
1 1 1 0   -11 30 o 85.41250 25.45606 206.6753       111.7356 250.7483       321.6655 200.6276       119.1554 95.27177 40.48196 84.03756 26.52477 11.23421       48.39786 
1 1 1 0   -11 31 o 109.2874 24.63371 342.8715       125.6201 -619.2245      357.6980 478.2251       134.1659 59.92449 29.96495 131.6789 22.09345 -71.75438      37.22927 
1 1 1 0   -10 1  o 116.0223 8.633334 324.1122       47.54495 306.3678       67.66109 341.4203       66.82415 112.2726 12.83582 118.7221 11.93493 -6.449409      17.52714 
1 1 1 0   -10 2  o 409.4518 9.113105 4015.353       178.3929 3886.554       413.9565 4044.728       197.6920 400.4608 21.70262 410.8596 10.06439 -10.39877      23.92270 
1 1 1 0   -10 3  o 256.6325 8.340192 1578.579       102.1925 1429.979       190.6065 1638.526       121.0630 243.2605 16.48660 261.3429 9.706162 -18.08238      19.13159 
1 1 1 0   -10 4  o 427.0862 8.721244 4368.128       178.0747 4641.160       200.7557 3360.476       385.6712 440.1533 9.540156 372.2314 21.76683 67.92188       23.76572 
1 1 1 0   -10 5  o 89.68579 12.74467 196.8535       53.10967 102.8856       81.05116 267.5587       70.30645 66.67779 21.95183 104.5577 14.45063 -37.87993      26.28124 
1 1 1 0   -10 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -10 7  o 290.6508 12.98042 2032.192       179.9167 2032.192       179.9167 0.000000       0.000000 290.6508 12.98042 ?        ?        0.000000       12.98042 
1 1 1 0   -10 8  o 357.6468 10.33148 3069.041       176.4696 3190.570       212.0493 2795.260       318.2730 364.4024 12.18874 339.6230 19.68611 24.77948       23.15401 
1 1 1 0   -10 9  o 311.9884 12.83423 2341.814       191.0242 2437.347       273.3164 2250.585       267.0893 317.3082 18.09171 304.7993 18.41470 12.50888       25.81494 
1 1 1 0   -10 10 o 305.6266 9.807488 2241.981       143.1182 2013.675       262.2326 2338.834       170.7984 287.9460 19.15774 311.9339 11.47237 -23.98785      22.33012 
1 1 1 0   -10 11 o 284.1735 12.31037 1944.284       166.8521 1887.665       237.5262 1999.438       234.4332 278.8831 17.90946 287.2295 17.14999 -8.346344      24.79659 
1 1 1 0   -10 12 o 265.1344 10.06654 1689.364       127.3694 1725.419       216.9573 1670.402       157.3364 266.6310 17.11013 263.2547 12.53702 3.376312       21.21164 
1 1 1 0   -10 13 o 332.7005 10.52447 2660.996       167.1920 2700.174       202.7748 2577.806       295.4798 334.7153 12.69456 325.3567 19.07963 9.358673       22.91690 
1 1 1 0   -10 14 o 275.5304 12.22474 1830.942       160.6330 1853.588       230.1628 1809.437       224.2898 275.9538 17.53650 272.7024 17.29238 3.251404       24.62835 
1 1 1 0   -10 15 o 51.20532 19.44698 45.89154       65.65416 32.29622       83.41272 68.02887       106.4388 52.99361 21.37361 63.77998 24.62531 -10.78637      32.60732 
1 1 1 0   -10 16 o 120.8018 17.36501 361.5928       97.41138 334.5458       161.1199 377.1750       122.2935 113.4658 29.44870 122.3120 21.70853 -8.846199      36.58532 
1 1 1 0   -10 17 o 232.5863 12.01173 1307.694       133.1142 1244.620       195.4187 1362.296       181.8200 225.2343 18.30543 236.3488 16.18864 -11.11444      24.43688 
1 1 1 0   -10 18 o 89.58305 16.70684 201.1696       68.92165 22.55822       113.4624 305.6119       86.76318 58.44236 24.38984 110.8914 16.89885 -52.44904      29.67214 
1 1 1 0   -10 19 o 57.26606 20.58536 68.99698       71.80798 88.69041       185.1061 65.50833       77.90910 79.12153 31.86523 57.66966 21.33144 21.45187       38.34610 
1 1 1 0   -10 20 o 289.5143 11.21574 2024.219       154.9472 2184.268       267.6493 1943.539       190.0295 298.0343 18.88121 282.8423 14.09741 15.19196       23.56347 
1 1 1 0   -10 21 o 58.73924 20.37078 77.60883       69.82315 54.24279       124.1317 88.42355       84.44963 64.58109 26.06428 63.27636 22.36925 1.304729       34.34719 
1 1 1 0   -10 22 o 50.47405 21.90852 -8.811355      98.06174 24.93876       138.5712 -42.66794      138.7896 63.57187 26.76939 56.59552 25.24820 6.976345       36.79771 
1 1 1 0   -10 23 f 196.5580 14.45212 944.6470       134.8602 1090.370       265.8017 894.1297       156.4998 205.4950 27.76472 190.2482 17.39859 15.24684       32.76570 
1 1 1 0   -10 24 f 151.9442 20.09632 580.1959       142.4093 522.1126       266.8815 603.3177       168.3855 136.5908 38.96230 153.5990 23.69114 -17.00815      45.59968 
1 1 1 0   -10 25 o 172.7792 15.65110 736.4922       127.8831 980.4962       272.8069 667.7735       144.7752 191.9599 30.76473 163.2957 18.89241 28.66420       36.10252 
1 1 1 0   -10 26 o 95.62402 20.92915 237.4298       93.01912 346.0042       163.7520 185.7044       113.0251 112.6693 29.90572 84.38121 25.70385 28.28812       39.43399 
1 1 1 0   -10 27 o 100.2305 27.11723 271.1967       133.0668 401.2127       171.2516 73.08138       211.3953 120.8350 29.82669 78.67667 33.09283 42.15832       44.55073 
1 1 1 0   -10 28 o 63.81676 25.02674 73.60580       111.2941 33.23306       168.1407 105.0867       148.4747 68.17812 29.12818 73.56448 28.88937 -5.386360      41.02495 
1 1 1 0   -10 29 o 48.24394 22.68294 -114.0487      133.8616 13.53793       305.0291 -144.4813      148.9733 82.49953 37.06952 49.48516 23.46496 33.01437       43.87201 
1 1 1 0   -10 30 o 81.73476 29.32428 177.8690       145.6382 -796.2906      336.7430 402.0088       161.5262 55.98124 28.14398 118.2841 28.82986 -62.30286      40.28951 
1 1 1 0   -10 31 o 103.2445 29.92002 317.7772       156.2040 -199.3852      357.0418 440.1938       173.7104 74.19609 35.50011 121.7516 30.03242 -47.55555      46.49951 
1 1 1 0   -10 32 o 80.75029 31.51679 181.4291       175.8046 201.2641       221.0213 147.2632       290.0782 84.74667 34.56689 83.69031 36.96240 1.056366       50.60720 
1 1 1 0   -9  1  o 267.2208 8.424538 1711.248       107.4934 1712.919       126.4036 1706.881       204.3055 267.2224 9.911321 265.9879 16.14207 1.234467       18.94203 
1 1 1 0   -9  2  o 383.1616 7.103445 3513.292       130.1246 3587.567       184.9316 3440.458       183.1295 386.8553 10.00735 378.8232 10.12051 8.032135       14.23277 
1 1 1 0   -9  3  o 367.1314 9.022305 3227.629       158.3607 3447.682       351.9214 3171.757       177.3288 377.7253 19.55430 363.7085 10.20816 14.01675       22.05849 
1 1 1 0   -9  4  o 133.1466 9.015230 426.4594       57.04883 385.9369       81.85487 464.7345       79.55283 126.0585 13.80765 138.6881 12.11963 -12.62955      18.37217 
1 1 1 0   -9  5  o 430.5124 15.88573 4460.990       326.4042 4271.789       461.9220 4649.672       461.2892 419.6629 23.11213 438.1515 22.09247 -18.48862      31.97261 
1 1 1 0   -9  6  o 134.7981 8.511047 436.7836       54.56977 366.9187       85.92240 484.0157       70.64729 122.6934 14.95668 141.7353 10.50037 -19.04184      18.27457 
1 1 1 0   -9  7  o 470.6594 9.657867 5306.581       217.3183 5764.954       547.6876 5220.927       236.7538 487.4605 23.57079 466.7430 10.60989 20.71756       25.84864 
1 1 1 0   -9  8  o 309.0056 10.37805 2290.819       153.0996 2272.987       187.4079 2326.596       265.4597 307.5114 12.77513 310.2963 17.97114 -2.784943      22.04917 
1 1 1 0   -9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -9  10 f 138.8136 12.21986 465.9126       80.27035 405.9453       114.4558 523.9568       112.6056 128.3311 19.24805 146.6631 16.33643 -18.33206      25.24612 
1 1 1 0   -9  11 o 444.0250 16.33683 4753.542       346.2124 4837.009       490.8078 4670.879       488.4374 446.0252 23.09539 438.1807 23.40051 7.844543       32.87827 
1 1 1 0   -9  12 o 150.9976 11.76627 550.5696       84.27093 567.1756       115.4195 531.6103       123.3274 152.6229 16.05830 147.3768 17.86788 5.246094       24.02353 
1 1 1 0   -9  13 o 298.4771 12.70363 2145.046       180.8643 2135.618       257.8947 2154.171       253.7179 296.6839 18.27057 298.0653 17.88685 -1.381470      25.56859 
1 1 1 0   -9  14 o 209.9094 11.23987 1061.294       112.3868 1124.224       164.1524 1005.769       154.1926 215.2340 16.06842 203.5333 15.97390 11.70068       22.65744 
1 1 1 0   -9  15 o 416.9060 15.55598 4202.789       309.5150 4452.187       440.8358 3960.318       434.6698 426.8511 21.67283 402.0934 22.70346 24.75775       31.38724 
1 1 1 0   -9  16 o 310.6539 13.07661 2329.488       193.7795 2428.040       278.9357 2237.555       269.4041 315.6359 18.56657 302.9197 18.69344 12.71619       26.34696 
1 1 1 0   -9  17 o 291.6333 12.65609 2053.927       176.0394 2222.559       255.7144 1902.011       242.7089 301.9227 17.79431 279.0677 18.29231 22.85501       25.51952 
1 1 1 0   -9  18 o 314.7831 11.87541 2391.229       178.3976 2430.799       234.0614 2336.378       275.5765 316.3292 15.52425 308.9818 18.74341 7.347412       24.33758 
1 1 1 0   -9  19 o 228.3762 11.73567 1260.465       127.7050 1427.220       199.8234 1145.333       166.0378 241.5250 17.42225 216.5992 16.15024 24.92580       23.75637 
1 1 1 0   -9  20 o 144.9437 13.06560 511.6603       89.56839 654.1293       142.1825 417.9243       115.3291 162.6366 18.62139 129.3986 19.22580 33.23798       26.76542 
1 1 1 0   -9  21 o 106.1655 24.59229 291.0768       122.3682 323.0700       224.3956 277.5359       145.9848 111.8310 36.50928 103.2226 28.59755 8.608414       46.37615 
1 1 1 0   -9  22 o 162.2798 15.36472 645.8995       117.7861 402.5919       242.4797 721.0406       134.7523 122.4224 37.71630 171.1645 16.67827 -48.74213      41.23935 
1 1 1 0   -9  23 o 126.8197 19.81934 405.0671       116.2366 379.2311       162.7800 431.9467       166.0351 119.8022 28.78100 128.2871 27.87006 -8.484871      40.06352 
1 1 1 0   -9  24 o 148.1970 15.03247 540.1985       105.0352 301.2440       167.4345 695.2538       134.8748 106.5454 31.00626 167.6833 17.06148 -61.13796      35.39043 
1 1 1 0   -9  25 o 244.6331 13.37473 1456.993       155.8309 1525.550       235.0838 1403.257       208.1266 247.6065 20.02960 238.1400 18.42362 9.466492       27.21424 
1 1 1 0   -9  26 o 205.7110 14.92965 1038.350       145.8310 960.7262       209.6431 1111.125       202.9901 194.4392 22.99674 210.5366 20.42313 -16.09737      30.75637 
1 1 1 0   -9  27 o 142.4800 16.52879 506.2054       110.5042 583.8029       183.7018 462.2050       138.3305 148.5749 26.84981 133.8044 22.41632 14.77057       34.97719 
1 1 1 0   -9  28 o 181.3556 17.14653 821.4456       146.9021 655.9228       222.2219 949.9244       195.7825 154.5202 31.15786 192.8102 21.61050 -38.28999      37.91867 
1 1 1 0   -9  29 o 61.49949 25.40965 44.41821       121.4161 75.95850       187.5697 21.67112       159.2916 75.36257 31.39802 65.60960 28.19716 9.752968       42.20089 
1 1 1 0   -9  30 o 77.74700 29.34366 142.4848       148.9336 -240.3784      338.7371 234.2332       165.8212 73.60213 35.03869 92.09544 31.41305 -18.49331      47.05836 
1 1 1 0   -9  31 o 115.1420 36.31572 416.0740       223.3949 1005.228       356.9744 36.81889       286.4100 172.4790 43.34724 80.48995 36.06270 91.98907       56.38707 
1 1 1 0   -9  32 o 161.0158 30.60141 763.1406       226.9600 926.1849       345.2935 639.1160       301.1547 161.2759 43.70314 134.0094 42.15141 27.26648       60.71825 
1 1 1 0   -9  33 o 72.73045 29.73933 120.6931       164.0951 -27.37755      193.9863 493.1993       307.6830 62.88540 28.76791 112.2018 42.21372 -49.31642      51.08416 
1 1 1 0   -8  1  o 448.1989 9.251641 4812.916       198.2431 4746.072       488.2547 4826.110       216.9288 441.8483 23.19468 448.7137 10.11206 -6.865356      25.30310 
1 1 1 0   -8  2  o 242.3317 8.173433 1407.743       94.55863 1433.963       113.0138 1346.544       172.6588 244.4423 9.689650 236.1435 15.37705 8.298798       18.17533 
1 1 1 0   -8  3  o 598.6912 10.13270 8589.013       290.0257 8838.208       843.5526 8555.606       308.8542 601.2158 29.43715 597.4247 10.81339 3.791077       31.36040 
1 1 1 0   -8  4  o 816.4000 8.350217 15957.66       325.9185 15553.64       461.9367 16358.13       459.9069 805.3238 11.99785 825.9658 11.64661 -20.64197      16.72100 
1 1 1 0   -8  5  o 165.4772 7.428121 656.6608       58.61610 675.0321       87.14379 641.4808       79.21383 167.4737 10.94377 163.3160 10.19614 4.157700       14.95752 
1 1 1 0   -8  6  o 406.7074 9.300464 3961.306       180.8402 3990.223       201.9489 3844.267       406.2811 407.9685 10.36235 398.5333 21.40176 9.435150       23.77842 
1 1 1 0   -8  7  o 589.7463 7.726925 8324.506       217.8614 8279.320       311.7502 8367.636       304.5800 587.7491 11.09447 590.9185 10.78116 -3.169312      15.46999 
1 1 1 0   -8  8  o 391.6872 14.71191 3689.610       275.0072 3729.126       389.8280 3650.459       388.0161 392.5992 20.84368 388.3955 20.97400 4.203705       29.56971 
1 1 1 0   -8  9  o 77.42252 12.75400 147.5582       45.56631 203.2812       117.1857 137.6324       49.45839 90.44435 25.82415 74.45768 14.41483 15.98667       29.57489 
1 1 1 0   -8  10 o 477.5763 7.951435 5459.955       181.5502 5459.813       259.9740 5460.090       253.6444 477.2086 11.39497 477.2547 11.11646 -0.4605103E-01 15.91921 
1 1 1 0   -8  11 o 577.8148 11.69589 8006.906       323.0950 8006.906       323.0950 0.000000       0.000000 577.8148 11.69589 ?        ?        0.000000       11.69589 
1 1 1 0   -8  12 o 408.8253 8.338445 4002.317       162.9788 3835.962       234.7803 4157.036       226.4206 399.6422 12.30267 416.1844 11.39017 -16.54214      16.76579 
1 1 1 0   -8  13 o 486.9513 11.01226 5686.802       256.3719 5599.322       283.9260 6073.020       596.5770 482.8403 12.30970 499.2236 25.07586 -16.38327      27.93434 
1 1 1 0   -8  14 o 61.67588 18.08999 93.40171       56.79760 37.67167       89.09776 131.5525       73.71804 55.53050 22.19546 72.71562 20.38738 -17.18512      30.13774 
1 1 1 0   -8  15 o 195.4089 11.56109 920.1377       107.5242 894.9841       158.0413 941.8149       146.7142 191.7295 17.43180 197.0495 15.70340 -5.320068      23.46198 
1 1 1 0   -8  16 f 421.4427 16.15021 4294.913       324.8034 4020.446       462.2831 4562.502       456.4551 404.9397 23.98608 432.2354 22.16266 -27.29565      32.65755 
1 1 1 0   -8  17 o 103.3988 15.14960 263.4260       72.66922 213.7946       114.5361 296.8662       94.01530 91.84372 25.28645 109.1456 18.68879 -17.30186      31.44321 
1 1 1 0   -8  18 o 266.9063 11.15751 1716.372       142.0612 1532.386       228.9478 1831.558       181.1521 250.1899 19.28956 275.1671 13.81433 -24.97726      23.72599 
1 1 1 0   -8  19 o 146.4061 14.88049 523.8045       102.7105 652.3109       201.8699 478.9177       119.3077 159.9209 27.38780 139.1099 18.38911 20.81094       32.98865 
1 1 1 0   -8  20 o 179.9073 12.70826 785.0049       108.6024 831.8638       168.5127 751.7153       142.0336 183.4935 19.50757 174.9818 17.20020 8.511734       26.00754 
1 1 1 0   -8  21 o 308.3623 20.32841 2341.812       298.0190 2341.812       298.0190 0.000000       0.000000 308.3623 20.32841 ?        ?        0.000000       20.32841 
1 1 1 0   -8  22 o 190.7024 13.13231 883.5359       118.9996 933.8096       186.7582 849.1730       154.4025 193.9287 20.45081 185.7545 17.59607 8.174194       26.97883 
1 1 1 0   -8  23 o 270.9334 13.67272 1782.787       176.5304 1385.842       259.6260 2124.096       240.7452 235.1373 23.40551 294.4920 17.17372 -59.35464      29.03023 
1 1 1 0   -8  24 o 170.8415 15.72340 717.0447       126.9851 489.1738       178.8202 948.8509       180.3577 136.5746 28.31689 195.3874 19.57083 -58.81285      34.42184 
1 1 1 0   -8  25 o 291.0962 13.67724 2062.220       189.8136 2139.287       281.4821 1997.951       257.0522 293.4747 20.18481 284.1679 19.03043 9.306824       27.74137 
1 1 1 0   -8  26 o 68.32281 22.94551 111.2793       88.45707 59.38131       156.4808 135.6517       107.2347 70.61955 28.97737 75.01895 25.26428 -4.399399      38.44440 
1 1 1 0   -8  27 o 164.3293 15.60129 666.0759       121.1016 384.3065       205.2298 816.5955       149.9996 118.4393 34.28709 181.4061 17.51284 -62.96687      38.50070 
1 1 1 0   -8  28 o 144.6798 17.56686 524.5566       119.0228 46.38527       210.1130 750.4988       144.4308 76.53851 32.62664 173.3430 17.67494 -96.80447      37.10661 
1 1 1 0   -8  29 o 68.10423 26.24909 90.58244       120.7869 307.6858       196.4975 -41.27406      153.1350 105.4429 34.14571 58.83026 26.36303 46.61267       43.13860 
1 1 1 0   -8  30 f 43.69468 20.78993 -133.9178      118.9305 -260.0755      190.2319 -52.96813      152.3822 51.93207 25.11583 57.42739 25.96613 -5.495319      36.12540 
1 1 1 0   -8  31 o 70.53465 26.48779 113.0709       121.0177 -77.06767      183.7376 258.7546       160.8305 60.62783 27.83284 95.74979 30.88200 -35.12197      41.57360 
1 1 1 0   -8  32 o 135.2579 24.90545 502.5276       155.1192 179.6110       322.9471 599.3708       176.8564 92.51774 39.95824 147.0898 26.10561 -54.57203      47.73012 
1 1 1 0   -8  33 o 104.9917 26.31654 316.3695       131.8259 650.6917       201.0477 64.22794       174.5978 149.3654 29.20101 69.24709 29.63593 80.11826       41.60514 
1 1 1 0   -8  34 o 189.5451 17.43105 939.2254       156.1914 512.2018       245.9610 1227.792       202.1917 119.1940 38.16633 214.0931 19.98476 -94.89913      43.08201 
1 1 1 0   -7  1  o 192.5601 7.923925 890.2500       72.79243 890.8339       89.51346 889.1099       125.0766 192.4062 9.762986 191.6000 13.74572 0.8061829      16.86003 
1 1 1 0   -7  2  o 125.6070 7.766030 379.5027       46.40792 375.5885       60.69210 385.0130       72.01151 124.6629 10.27438 125.9655 12.10644 -1.302628      15.87856 
1 1 1 0   -7  3  o 210.3542 7.010459 1060.847       70.40427 1049.088       100.4131 1072.218       98.74128 208.8565 10.08602 211.1861 9.806462 -2.329651      14.06750 
1 1 1 0   -7  4  o 260.3592 8.365455 1625.867       103.9936 1653.562       123.5402 1558.522       192.6445 262.3985 9.865354 253.7710 15.95920 8.627518       18.76223 
1 1 1 0   -7  5  o 228.5033 8.208611 1252.228       89.52911 1231.516       162.1186 1261.316       107.3900 225.7215 15.10984 229.1709 9.824393 -3.449478      18.02293 
1 1 1 0   -7  6  o 504.7723 17.89827 6149.099       431.2480 6303.298       610.4205 5995.447       609.3345 508.7271 25.17602 495.8918 25.79025 12.83533       36.04121 
1 1 1 0   -7  7  o 812.1035 27.63272 16062.04       1071.298 16110.94       1515.489 16013.20       1514.599 805.6664 39.46504 803.1368 39.56753 2.529602       55.88451 
1 1 1 0   -7  8  o 567.5048 10.24864 7716.130       278.0636 7701.871       298.7001 7808.764       761.3111 566.8800 11.02138 566.0420 28.22130 0.8380127      30.29707 
1 1 1 0   -7  9  o 474.3193 17.13228 5418.089       387.8648 5375.866       549.1923 5460.107       547.8575 470.6542 24.49124 474.4106 24.23518 -3.756348      34.45526 
1 1 1 0   -7  10 o 451.8869 9.796167 4891.283       211.6383 4928.732       234.6442 4727.908       490.0947 453.5117 10.82213 441.5963 23.29621 11.91541       25.68719 
1 1 1 0   -7  11 o 204.3062 9.843311 1002.219       95.86311 876.5264       138.8206 1116.793       132.5392 190.3851 15.38238 215.3680 12.93183 -24.98289      20.09601 
1 1 1 0   -7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -7  13 o 456.5273 16.73110 5021.980       364.5561 5125.201       517.2032 4920.060       513.9327 459.4023 23.62768 449.9861 23.97559 9.416290       33.66150 
1 1 1 0   -7  14 o 155.7299 12.93346 586.1525       95.42480 534.2863       128.8142 649.2319       142.0579 147.7098 18.65627 163.0652 18.55144 -15.35533      26.30993 
1 1 1 0   -7  15 o 168.3107 12.26650 683.5715       98.02779 1007.887       174.4220 533.8380       118.5160 203.6291 18.10505 147.8837 17.07615 55.74544       24.88750 
1 1 1 0   -7  16 o 50.60627 19.03795 45.66579       62.57719 91.46864       98.15866 14.30492       81.22250 66.73678 24.05784 49.75388 20.68958 16.98290       31.73071 
1 1 1 0   -7  17 o 105.8910 17.65758 278.1435       86.24594 142.0646       178.0198 319.8793       98.58868 85.83203 32.14810 113.4907 18.82978 -27.65863      37.25669 
1 1 1 0   -7  18 o 236.5388 11.86896 1348.674       133.7930 1468.599       208.2363 1264.362       174.6005 245.6075 17.85595 228.1982 16.10736 17.40933       24.04750 
1 1 1 0   -7  19 o 397.4957 15.11522 3823.447       286.7235 4192.289       412.0923 3477.337       399.1919 414.0002 20.88772 376.3583 22.28540 37.64197       30.54400 
1 1 1 0   -7  20 o 314.1274 10.78605 2376.390       161.7453 2729.475       264.7102 2166.022       204.3248 335.0345 16.57768 299.0273 14.33403 36.00717       21.91538 
1 1 1 0   -7  21 o 336.0084 12.66062 2728.486       203.0187 2856.698       272.4802 2568.490       304.3856 342.4642 16.69251 323.4663 19.77732 18.99792       25.88016 
1 1 1 0   -7  22 o 147.1156 19.24711 537.8022       132.1298 279.0843       220.9728 681.7829       164.8457 106.2168 36.26192 165.2578 21.36387 -59.04091      42.08731 
1 1 1 0   -7  23 o 298.3539 13.36844 2157.801       190.2027 2390.858       279.0348 1955.531       259.9522 312.0138 18.79291 281.8211 19.41211 30.19266       27.01858 
1 1 1 0   -7  24 o 112.7853 17.49855 317.6204       91.29902 391.4858       151.6687 275.6440       114.3348 122.7164 26.61884 103.3723 23.64888 19.34414       35.60663 
1 1 1 0   -7  25 o 224.7040 13.74332 1229.594       146.9361 1046.872       228.2334 1358.938       192.0242 203.4583 23.92008 235.0736 17.20528 -31.61534      29.46510 
1 1 1 0   -7  26 o 111.6401 24.93322 324.9804       129.7131 136.6610       183.0388 514.9683       183.8479 83.62974 32.29172 139.8233 28.47106 -56.19353      43.05062 
1 1 1 0   -7  27 o 198.7501 18.38816 980.0377       172.7440 1043.449       318.2665 953.5555       205.6759 196.3198 35.20249 194.2656 22.56453 2.054245       41.81356 
1 1 1 0   -7  28 o 252.8706 15.79754 1571.401       190.0296 856.8318       346.3241 1879.218       227.3037 171.8700 42.41113 275.8715 17.32164 -104.0014      45.81205 
1 1 1 0   -7  29 o 60.63091 23.65924 64.05344       99.05453 30.54796       192.5233 76.11611       115.5173 72.44186 31.06404 65.34207 25.53468 7.099792       40.21188 
1 1 1 0   -7  30 o 76.42497 22.57147 152.0549       88.16799 305.2122       179.9195 103.6522       101.1450 104.9160 32.51715 67.54163 24.41134 37.37437       40.66053 
1 1 1 0   -7  31 o 80.51801 22.54766 171.4011       90.22610 515.9354       183.9913 62.31733       103.5288 136.9390 29.00717 60.69255 24.03389 76.24641       37.67020 
1 1 1 0   -7  32 o 114.3827 19.16900 340.3685       101.1203 731.3431       206.1554 216.4994       116.0385 162.9261 27.44053 88.66674 25.81498 74.25935       37.67487 
1 1 1 0   -7  33 o 121.9738 20.78725 395.7104       116.8769 -408.5429      332.1159 509.3921       124.8643 65.05833 31.84517 139.6616 19.20876 -74.60325      37.18993 
1 1 1 0   -7  34 o 55.03116 24.48484 -8.442165      129.6275 -156.2314      195.7881 106.9030       172.9675 56.01992 26.66007 73.04024 30.26683 -17.02032      40.33411 
1 1 1 0   -7  35 o 57.82191 25.61800 11.93005       140.4102 -345.6955      222.4490 248.7770       181.0298 50.86371 25.12320 88.30213 32.54214 -37.43842      41.11163 
1 1 1 0   -6  1  o 431.5047 7.096606 4462.382       146.4012 4616.720       207.4583 4309.274       206.6293 438.3712 9.898752 423.4566 10.20645 14.91455       14.21819 
1 1 1 0   -6  2  o 175.0162 9.266923 737.5219       77.26297 777.3212       109.4441 697.9800       109.0894 179.1050 12.86708 169.5365 13.57221 9.568497       18.70205 
1 1 1 0   -6  3  o 470.6619 7.229666 5309.497       162.6806 5452.706       230.7556 5167.989       229.3807 476.3565 10.13239 463.7015 10.34689 12.65500       14.48183 
1 1 1 0   -6  4  o 190.2867 8.115140 869.9322       73.65706 868.0329       91.72205 873.3813       123.6030 189.8103 10.14439 189.7846 13.71511 0.2575684E-01  17.05910 
1 1 1 0   -6  5  o 521.0775 7.393230 6506.751       184.1810 6692.270       262.1410 6325.884       258.8331 527.8148 10.38831 513.1235 10.55090 14.69128       14.80671 
1 1 1 0   -6  6  o 298.7772 12.13943 2150.177       173.0410 2227.885       245.3601 2073.278       244.0787 303.0471 17.00320 292.1677 17.55485 10.87943       24.43934 
1 1 1 0   -6  7  o 86.63617 9.254612 181.9801       37.73942 198.2461       54.82701 167.3336       52.02626 89.87059 13.14962 82.32294 13.70013 7.547653       18.98963 
1 1 1 0   -6  8  f 375.1900 14.34651 3389.643       256.8651 3283.811       363.7773 3494.878       362.7490 367.8091 20.77177 379.6732 20.05539 -11.86414      28.87360 
1 1 1 0   -6  9  o 372.7988 9.443112 3331.559       168.1699 3327.477       190.6512 3345.869       356.9755 372.4197 10.71891 371.7558 20.16046 0.6638794      22.83285 
1 1 1 0   -6  10 o 371.2261 7.541435 3298.337       133.8446 3363.829       192.8805 3237.511       185.8830 374.4965 10.78412 367.4137 10.59326 7.082855       15.11669 
1 1 1 0   -6  11 o 343.9398 13.34027 2842.574       218.9430 3044.814       310.8802 2643.549       308.3991 355.1715 18.37067 330.6481 19.59707 24.52344       26.86124 
1 1 1 0   -6  12 o 443.7999 10.02163 4718.299       212.6346 5334.628       504.9530 4585.454       234.4333 469.3264 22.57057 437.2456 11.22392 32.08084       25.20728 
1 1 1 0   -6  13 o 365.1173 10.79870 3197.748       188.2932 3186.900       222.8709 3224.801       351.9514 364.2401 12.81843 365.0877 20.24327 -0.8476257     23.96043 
1 1 1 0   -6  14 o 148.7556 12.00432 534.1465       84.64822 530.1769       125.0041 537.5082       115.0373 147.2812 18.13540 148.5939 16.46928 -1.312683      24.49755 
1 1 1 0   -6  15 o 544.7874 19.14670 7167.702       497.9132 7611.627       706.5198 6729.670       701.8149 558.8407 26.51972 524.7806 28.07502 34.06012       38.61997 
1 1 1 0   -6  16 o 535.6287 11.03562 6880.618       282.5979 7253.245       703.8933 6809.015       308.5573 544.8456 27.10760 532.6556 12.11661 12.19006       29.69232 
1 1 1 0   -6  17 f 452.1180 11.56668 4909.460       249.8114 5111.414       293.5526 4379.192       475.6715 460.9744 13.33391 423.8110 23.56896 37.16339       27.07931 
1 1 1 0   -6  18 o 244.5176 12.38196 1440.683       144.2753 1579.598       213.7440 1324.421       195.5411 255.0539 17.63748 233.4393 17.65168 21.61459       24.95321 
1 1 1 0   -6  19 o 209.8934 12.31254 1063.248       123.0107 1284.095       187.3794 895.9865       163.0699 229.7625 17.18268 191.5169 18.02159 38.24557       24.90025 
1 1 1 0   -6  20 o 469.4223 11.24610 5298.910       252.3911 6069.459       575.0621 5115.067       280.8904 496.4844 24.30089 460.6411 12.76688 35.84326       27.45044 
1 1 1 0   -6  21 o 289.3326 12.35765 2021.185       170.5455 2278.796       248.2401 1790.902       234.7042 305.9154 17.04048 270.7140 18.24082 35.20142       24.96209 
1 1 1 0   -6  22 o 61.94701 21.50438 85.68980       77.81942 338.0191       211.6172 46.23125       83.68309 114.1087 35.24834 55.33058 21.70058 58.77810       41.39276 
1 1 1 0   -6  23 o 139.2442 19.80244 483.8239       128.1150 372.5125       237.3550 529.5860       152.1884 119.1332 37.41400 144.9000 22.71467 -25.76674      43.76944 
1 1 1 0   -6  24 o 321.9797 10.42326 2499.255       160.2388 2939.913       310.1507 2338.804       187.1517 346.0322 18.81852 310.8486 12.61944 35.18359       22.65804 
1 1 1 0   -6  25 o 202.2537 13.32421 994.7676       128.1210 1238.660       214.5472 859.5851       159.7289 223.4230 20.30733 186.5640 18.13663 36.85899       27.22728 
1 1 1 0   -6  26 o 222.7247 13.64354 1208.142       144.5822 1196.430       234.0174 1215.372       183.8732 218.1099 22.77749 222.0998 17.45679 -3.989883      28.69763 
1 1 1 0   -6  27 o 256.4575 13.88897 1603.358       169.6563 1672.851       270.6575 1558.380       217.7438 258.1953 22.13971 251.0569 18.26613 7.138428       28.70223 
1 1 1 0   -6  28 o 140.0570 16.42213 486.4091       107.8759 489.4209       199.9267 485.1721       128.1284 134.7265 31.59052 138.7482 19.88323 -4.021652      37.32699 
1 1 1 0   -6  29 o 141.1857 16.79342 496.3351       111.1357 829.6410       211.7213 369.5687       130.5705 179.0924 25.44248 119.1549 23.75447 59.93752       34.80796 
1 1 1 0   -6  30 o 88.56261 27.56072 206.7786       129.1043 -101.6635      306.6913 273.2081       142.3296 78.89217 36.12115 100.5299 28.37887 -21.63777      45.93580 
1 1 1 0   -6  31 o 48.62404 22.38596 -74.21154      120.0410 -1106.141      319.1489 95.83494       129.5544 49.37527 25.10732 69.93894 27.12327 -20.56367      36.96010 
1 1 1 0   -6  32 o 46.98586 21.56509 -63.05165      110.2147 -313.6972      187.7332 68.77198       136.1469 48.86908 23.92531 66.79446 27.17272 -17.92538      36.20466 
1 1 1 0   -6  33 o 41.11853 19.76821 -145.6974      113.7155 -480.6115      207.2991 -1.536420      136.0049 45.87777 22.92133 57.92758 25.45704 -12.04980      34.25563 
1 1 1 0   -6  34 o 81.95374 28.84178 185.4402       140.2701 -223.0221      359.3935 258.8435       152.3534 73.85033 35.40982 93.85987 30.03650 -20.00954      46.43325 
1 1 1 0   -6  35 o 77.31297 30.54268 154.4605       166.8308 121.5308       222.7576 196.5248       251.7651 77.89635 33.40887 86.04137 36.14801 -8.145020      49.22227 
1 1 1 0   -6  36 o 60.63547 27.42376 -0.7891681     170.1003 189.8794       228.1754 -239.3040      255.2037 81.78826 34.39017 58.68245 28.54546 23.10581       44.69371 
1 1 1 0   -5  1  o 322.0078 6.887443 2482.951       106.0310 2426.111       150.1284 2539.522       149.7732 317.8548 9.891325 325.2423 9.642696 -7.387512      13.81376 
1 1 1 0   -5  2  o 324.1452 12.82384 2531.540       198.3390 2384.590       280.4970 2678.484       280.4905 313.1531 18.82228 332.2645 17.72147 -19.11136      25.85206 
1 1 1 0   -5  3  o 230.8718 7.885547 1278.961       86.91068 1090.050       157.7124 1361.349       104.1522 211.8875 15.67979 238.0457 9.168799 -26.15817      18.16377 
1 1 1 0   -5  4  o 262.2952 11.04898 1656.981       138.2443 1809.063       195.9065 1506.133       195.1098 273.2343 15.05522 248.8888 16.49002 24.34549       22.32891 
1 1 1 0   -5  5  o 300.9543 12.28091 2184.908       176.3299 2175.935       249.7519 2193.826       248.9863 298.9300 17.55279 300.2007 17.42311 -1.270630      24.73187 
1 1 1 0   -5  6  o 233.1415 8.475097 1305.815       94.30820 1314.399       114.7525 1287.951       165.5349 233.6320 10.29888 230.2943 15.11842 3.337677       18.29299 
1 1 1 0   -5  7  o 314.5448 12.71039 2387.505       190.7456 2303.315       270.0883 2471.280       269.4230 307.3371 18.46674 318.6158 17.75745 -11.27866      25.61928 
1 1 1 0   -5  8  o 213.4224 8.637907 1094.057       87.95464 1127.312       110.7809 1037.345       144.6665 216.3677 10.74298 206.8540 14.72464 9.513641       18.22708 
1 1 1 0   -5  9  o 463.4868 16.91164 5193.057       374.1129 5033.568       529.5093 5352.025       528.6430 453.5303 24.51184 468.0436 23.70194 -14.51331      34.09710 
1 1 1 0   -5  10 o 316.1535 9.094766 2396.849       137.3239 2464.902       161.3423 2217.948       261.5950 320.4420 10.54587 302.6739 18.16136 17.76816       21.00120 
1 1 1 0   -5  11 o 456.2427 7.601676 4982.639       165.8111 5276.917       237.5349 4702.970       231.5637 469.2234 10.58862 442.9326 10.93514 26.29074       15.22157 
1 1 1 0   -5  12 o 605.5833 7.981535 8778.460       231.0834 8629.896       330.2476 8920.980       323.4606 599.9955 11.51286 610.0928 11.08963 -10.09729      15.98518 
1 1 1 0   -5  13 o 359.2084 9.634972 3092.707       165.3152 3106.654       339.4211 3088.370       189.2835 358.4594 19.88362 358.8047 11.04750 -0.3453369     22.74655 
1 1 1 0   -5  14 o 105.2222 16.33994 272.4068       79.53365 307.2164       103.0916 221.2265       125.0044 111.2022 20.13203 94.20470 26.59642 16.99753       33.35668 
1 1 1 0   -5  15 o 199.2638 10.48773 954.1707       99.56033 956.1432       166.8721 953.0804       124.0598 198.4988 17.77184 198.8541 13.12268 -0.3553162     22.09170 
1 1 1 0   -5  16 o 564.7518 20.11308 7709.417       542.1889 7592.067       769.7893 7824.944       763.7878 557.1249 29.00071 565.9224 28.31976 -8.797485      40.53455 
1 1 1 0   -5  17 o 297.7004 11.01392 2128.279       156.4878 2368.432       275.1906 2013.509       190.2407 312.8149 18.48322 289.1687 13.80064 23.64624       23.06701 
1 1 1 0   -5  18 o 41.70012 17.69675 1.498998       61.34013 99.93934       107.6737 -45.79919      74.63548 69.79996 25.19232 39.58430 18.00658 30.21566       30.96595 
1 1 1 0   -5  19 o 636.2696 11.23233 9721.159       341.6798 9528.573       944.4928 9750.157       366.5025 619.3649 32.00510 637.0060 12.03442 -17.64111      34.19289 
1 1 1 0   -5  20 f 87.66656 20.40768 194.1927       83.92669 -122.7240      202.0048 260.3098       92.26694 64.31003 29.39572 101.8883 19.65364 -37.57830      35.36063 
1 1 1 0   -5  21 o 122.3196 16.98641 369.1968       96.65881 739.6207       223.5600 284.0302       107.1962 170.6200 28.40483 105.9449 21.88819 64.67513       35.85983 
1 1 1 0   -5  22 o 92.98985 20.99122 219.7464       91.10202 68.96154       242.9374 244.4206       98.27364 85.93875 35.76286 98.05140 21.55278 -12.11265      41.75529 
1 1 1 0   -5  23 o 302.7973 13.80577 2221.810       199.3320 2217.541       296.9553 2225.312       268.9210 299.9347 20.83843 301.3218 18.76055 -1.387177      28.03923 
1 1 1 0   -5  24 o 222.9512 13.29875 1206.108       141.1078 1357.268       222.5873 1104.541       182.4562 234.4253 20.05278 211.9452 18.18190 22.48009       27.06835 
1 1 1 0   -5  25 o 197.2111 14.84861 949.2527       138.9709 879.1906       215.6209 999.0367       181.7583 186.3502 24.81857 201.0078 19.14446 -14.65761      31.34441 
1 1 1 0   -5  26 o 160.3980 17.18504 635.5065       129.7307 606.6127       190.8119 660.3434       176.9096 153.1697 27.04557 161.3202 23.63916 -8.150421      35.92037 
1 1 1 0   -5  27 o 155.3205 18.45929 600.8467       134.3951 444.5202       200.8134 727.6692       180.8733 128.3114 32.65780 169.4199 22.91784 -41.10847      39.89686 
1 1 1 0   -5  28 o 93.48511 29.97451 225.1072       151.6709 568.2590       309.5510 116.7011       173.9866 140.8784 42.45944 79.91245 31.30554 60.96599       52.75264 
1 1 1 0   -5  29 o 216.0932 17.04487 1153.292       174.6687 946.6597       336.2021 1229.685       204.4225 183.3958 39.51172 222.1237 19.44568 -38.72794      44.03760 
1 1 1 0   -5  30 o 235.0523 14.60017 1355.968       163.2606 1334.522       270.2596 1368.292       204.8652 227.4436 25.28080 234.3361 18.43441 -6.892487      31.28812 
1 1 1 0   -5  31 o 185.0665 16.81809 853.9258       147.1799 405.8332       232.5390 1153.395       190.1027 118.8545 36.98879 214.2743 18.74568 -95.41983      41.46771 
1 1 1 0   -5  32 o 126.1366 25.14590 425.0863       146.3175 629.3910       347.3659 381.0184       161.3277 140.1611 45.40040 117.4787 28.92072 22.68242       53.82940 
1 1 1 0   -5  33 o 89.80708 26.81827 221.2854       123.9200 372.0954       214.1796 145.3972       151.9324 111.8732 35.59282 78.54010 29.63879 33.33314       46.31746 
1 1 1 0   -5  34 o 120.1670 24.09209 396.1541       133.5873 453.8749       226.7162 365.4561       165.3375 119.6003 36.39864 111.4089 30.26327 8.191360       47.33631 
1 1 1 0   -5  35 o 51.81061 24.52587 -130.3855      161.4258 -222.2176      209.6502 3.339155       252.9901 55.15103 26.59702 73.31310 33.27184 -18.16208      42.59597 
1 1 1 0   -5  36 o 131.4097 34.52630 575.8052       219.6905 1200.214       382.4007 268.1854       268.4055 174.1508 45.45258 91.06755 37.71717 83.08322       59.06371 
1 1 1 0   -4  1  o 581.3104 9.899184 8099.670       275.1160 8141.246       791.2294 8093.953       293.4248 576.3569 28.80588 580.9966 10.56367 -4.639648      30.68175 
1 1 1 0   -4  2  o 544.3688 7.342841 7094.684       191.1022 7363.907       270.6945 6827.186       269.8264 554.2026 10.21651 533.5670 10.57760 20.63568       14.70587 
1 1 1 0   -4  3  o 165.0491 7.850346 653.8619       61.76803 642.2554       77.56687 673.9780       102.1169 163.3667 9.978863 167.0060 12.88927 -3.639252      16.30064 
1 1 1 0   -4  4  o 159.3406 9.053903 610.5004       68.68780 620.4954       97.50747 600.6550       96.77509 160.1742 12.84066 157.5585 12.96187 2.615616       18.24534 
1 1 1 0   -4  5  o 84.01926 8.542636 170.9347       33.83798 173.6432       48.50220 168.3663       47.23135 84.09929 12.43778 82.80865 12.30353 1.290642       17.49501 
1 1 1 0   -4  6  o 300.4640 12.26846 2175.565       175.8638 2167.741       248.9832 2183.354       248.4355 298.6817 17.51309 299.7877 17.40860 -1.105988      24.69348 
1 1 1 0   -4  7  o 220.6561 10.55729 1172.877       111.0491 1172.877       111.0491 0.000000       0.000000 220.6561 10.55729 ?        ?        0.000000       10.55729 
1 1 1 0   -4  8  o 122.3724 8.948846 361.3341       51.99314 431.9099       74.67735 294.9370       72.43284 133.4281 11.82911 109.6384 14.14811 23.78974       18.44171 
1 1 1 0   -4  9  o 161.8336 9.475583 630.8613       72.99259 608.3874       103.4182 653.1699       103.0371 158.2313 13.80908 164.0958 13.24620 -5.864441      19.13512 
1 1 1 0   -4  10 o 88.27256 10.63880 189.7732       43.99375 194.8055       58.56733 183.2570       66.64568 88.82619 14.27485 85.62393 16.88081 3.202263       22.10731 
1 1 1 0   -4  11 o 449.2056 16.43354 4870.487       352.3319 4903.868       499.0014 4837.302       497.5469 448.5582 23.34921 445.4605 23.44489 3.097687       33.08849 
1 1 1 0   -4  12 o 492.6653 17.74823 5855.245       417.3546 5777.792       590.9769 5932.306       589.4829 487.0583 25.46787 493.6899 25.05712 -6.631592      35.72775 
1 1 1 0   -4  13 o 142.1537 10.00508 486.4895       67.56229 467.3347       97.05081 504.5019       94.11198 138.7048 14.86691 144.3246 13.80758 -5.619766      20.28976 
1 1 1 0   -4  14 o 438.7696 10.22357 4612.330       214.4606 5617.255       503.8782 4390.012       236.9986 481.8022 21.93254 427.7719 11.59915 54.03024       24.81081 
1 1 1 0   -4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -4  16 o 200.3817 12.43404 966.9382       118.5315 1119.120       193.5126 875.5557       149.9544 214.6460 19.05505 190.0551 16.67201 24.59090       25.31898 
1 1 1 0   -4  17 o 671.6485 11.56154 10819.35       371.2496 11006.94       401.3549 9707.730       977.0004 677.2789 12.39517 628.2310 32.64067 49.04797       34.91495 
1 1 1 0   -4  18 o 117.1814 17.66440 338.2250       95.88894 328.5159       128.1479 350.5772       144.5424 114.2364 24.21653 117.7548 26.33579 -3.518433      35.77729 
1 1 1 0   -4  19 o 445.5592 16.34089 4791.218       347.4987 5202.716       497.6559 4399.664       485.4464 462.3511 22.58211 424.5831 24.01287 37.76801       32.96316 
1 1 1 0   -4  20 o 241.6978 12.86745 1408.893       148.1514 1402.159       225.0033 1414.047       196.8443 239.6771 19.81287 241.3136 17.17436 -1.636475      26.22038 
1 1 1 0   -4  21 o 365.4727 14.82124 3228.161       258.4319 3307.358       375.2136 3156.681       356.4626 367.7687 21.43293 359.4909 20.82963 8.277771       29.88719 
1 1 1 0   -4  22 f 185.6976 14.67720 838.1592       129.2452 1076.599       266.2625 764.6609       147.8288 206.7166 27.63331 176.6274 17.74646 30.08917       32.84108 
1 1 1 0   -4  23 o 53.23709 21.56694 31.31546       85.35004 -209.5399      253.4244 62.12971       90.64547 67.88183 31.68744 59.64277 22.80243 8.239063       39.03901 
1 1 1 0   -4  24 o 364.4112 15.20304 3226.380       264.2868 3161.513       386.3681 3283.419       362.3070 357.1915 22.74330 365.0609 20.84549 -7.869324      30.85113 
1 1 1 0   -4  25 o 195.9460 13.72874 933.8472       127.7964 941.0702       209.0946 929.5400       161.4643 193.7694 23.02030 194.4405 17.55826 -0.6710663     28.95215 
1 1 1 0   -4  26 o 226.4650 13.83682 1247.651       149.0966 1103.095       235.5908 1344.229       192.5655 209.2478 23.98278 233.9645 17.33875 -24.71667      29.59402 
1 1 1 0   -4  27 o 231.9178 14.22075 1311.304       156.9176 1049.885       248.3827 1484.944       202.4309 202.6257 26.25682 245.7126 17.34365 -43.08693      31.46781 
1 1 1 0   -4  28 o 279.1511 15.19607 1906.005       202.0404 2014.316       350.9445 1852.311       247.0965 280.7199 26.46127 273.4336 19.02052 7.286346       32.58802 
1 1 1 0   -4  29 o 42.41734 19.50390 -61.78905      90.72171 -27.71807      196.8684 -70.97506      102.2226 68.87173 30.43249 44.79349 20.63522 24.07825       36.76886 
1 1 1 0   -4  30 o 256.5805 14.66924 1612.183       179.1951 1414.661       294.3209 1728.531       225.8882 233.8816 26.80568 264.1419 17.99488 -30.26031      32.28561 
1 1 1 0   -4  31 o 49.05042 23.63815 -223.3802      164.8955 -310.0258      355.1488 -199.5685      186.1800 75.25403 35.83984 54.60839 25.99097 20.64563       44.27217 
1 1 1 0   -4  32 o 184.6771 17.24438 854.2294       150.4939 586.8926       238.1348 1031.998       194.1872 142.8315 35.12225 201.3336 20.45798 -58.50214      40.64604 
1 1 1 0   -4  33 o 91.38857 27.26628 227.3057       128.1387 635.3957       214.2384 0.2113600E-08  159.8912 150.8421 30.75158 63.29358 27.71477 87.54854       41.39769 
1 1 1 0   -4  34 o 116.4209 27.88956 383.0403       153.1911 -68.63577      365.6343 479.2082       168.7130 82.79762 38.45125 130.6132 27.86778 -47.81557      47.48802 
1 1 1 0   -4  35 f 141.6453 27.66482 572.7282       180.6206 395.1631       238.6186 810.9696       276.3975 109.7927 37.67635 159.3944 36.98629 -49.60166      52.79671 
1 1 1 0   -4  36 o 69.71983 29.61429 81.46571       172.0373 -174.2655      222.8393 458.7656       270.6720 58.71781 28.08116 112.2810 40.01196 -53.56324      48.88260 
1 1 1 0   -4  37 o 40.79691 20.17380 -261.3171      144.8908 -280.0142      374.0880 -258.0172      157.1575 68.38168 33.53923 43.26649 21.32259 25.11519       39.74334 
1 1 1 0   -3  1  o 175.0858 7.653253 735.2883       63.90796 737.2696       78.93386 731.5182       108.8856 175.1653 9.460664 174.0540 13.18316 1.111328       16.22652 
1 1 1 0   -3  2  o 428.7325 15.71056 4427.516       321.4782 4405.962       454.6794 4449.062       454.5982 426.0229 22.40232 428.1408 22.28591 -2.117859      31.59946 
1 1 1 0   -3  3  o 736.3606 25.23486 13187.38       887.0692 12813.28       1254.543 13561.43       1254.467 719.0724 36.61310 740.5692 35.53485 -21.49677      51.02200 
1 1 1 0   -3  4  o 378.8158 8.827206 3437.430       159.8673 3475.683       178.7892 3284.865       357.0579 380.6972 9.831435 368.1273 20.36705 12.56985       22.61579 
1 1 1 0   -3  5  o 349.0485 13.43319 2931.805       223.7495 3093.325       316.6191 2770.671       316.2404 357.4822 18.58955 338.0210 19.65361 19.46127       27.05246 
1 1 1 0   -3  6  o 321.1661 8.847341 2473.795       135.7178 2596.706       280.6308 2436.271       155.0565 327.3974 17.99806 318.5477 10.19452 8.849701       20.68474 
1 1 1 0   -3  7  o 108.8305 8.706412 285.7401       44.92248 316.1641       63.89582 256.0030       63.17035 114.0918 11.88830 102.3159 13.22293 11.77596       17.78139 
1 1 1 0   -3  8  o 169.5071 9.504512 691.8696       76.71552 700.8846       108.7567 682.9417       108.2295 169.9904 13.49268 167.7655 13.61060 2.224899       19.16509 
1 1 1 0   -3  9  o 108.2216 9.464001 283.3705       48.47407 302.4727       68.05958 263.7044       69.05667 111.2622 13.04206 103.5366 14.33508 7.725563       19.38013 
1 1 1 0   -3  10 f 173.5052 9.770626 725.2679       80.72069 714.8689       114.5724 735.5173       113.7446 171.5312 14.09528 174.0678 13.78033 -2.536606      19.71229 
1 1 1 0   -3  11 o 217.0986 10.61140 1134.613       109.8045 1075.476       155.9624 1192.738       154.6204 210.4823 15.60983 221.9115 14.65606 -11.42924      21.41184 
1 1 1 0   -3  12 o 471.2897 7.751027 5319.744       174.6447 5557.704       249.8455 5092.378       244.2205 481.2695 10.85862 460.6445 11.08940 20.62506       15.52045 
1 1 1 0   -3  13 o 329.1926 13.17038 2605.960       206.8614 2692.944       293.2727 2519.833       291.8250 333.7068 18.45409 322.6566 19.00205 11.05017       26.48832 
1 1 1 0   -3  14 o 397.9693 14.98621 3809.938       284.6251 3900.663       403.7953 3720.349       401.2579 401.4547 21.11279 391.9516 21.49555 9.503143       30.12986 
1 1 1 0   -3  15 o 604.1765 11.32962 8750.017       327.2560 8809.745       355.5034 8418.346       837.7385 606.0904 12.26868 587.0565 29.94729 19.03387       32.36295 
1 1 1 0   -3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -3  17 f 330.7105 12.68646 2628.188       200.2122 2519.438       260.2022 2786.016       313.4641 323.1242 16.90230 339.3431 19.40235 -16.21890      25.73206 
1 1 1 0   -3  18 o 429.5251 11.94838 4429.633       245.1229 4754.625       298.7408 3759.995       428.8235 444.6417 14.07094 393.3365 22.90281 51.30521       26.87991 
1 1 1 0   -3  19 o 469.1899 12.39918 5288.763       277.8876 5442.933       328.2853 4899.062       521.9357 475.5589 14.45584 448.3117 24.44414 27.24716       28.39872 
1 1 1 0   -3  20 o 62.25461 22.12228 81.63931       82.68697 395.6558       147.0725 -63.49333      99.98566 125.1705 25.44470 45.49585 20.75198 79.67466       32.83410 
1 1 1 0   -3  21 o 248.8325 13.26034 1494.427       157.1807 1471.021       235.9317 1513.107       210.7653 245.2995 20.29942 249.4405 17.79033 -4.141037      26.99189 
1 1 1 0   -3  22 o 278.1413 13.38023 1868.582       177.4033 2038.625       264.5271 1729.589       239.1590 288.9929 19.25570 266.1889 18.91590 22.80396       26.99247 
1 1 1 0   -3  23 o 372.7829 15.26869 3368.537       271.5476 3388.359       393.2172 3350.465       375.4513 371.0128 22.27096 369.3552 21.35287 1.657623       30.85354 
1 1 1 0   -3  24 o 91.34794 23.64317 213.8433       104.0470 397.0683       265.6695 180.6482       113.0801 123.2313 39.68609 84.77180 25.68706 38.45947       47.27379 
1 1 1 0   -3  25 o 159.9378 15.17910 626.0861       114.6767 969.9352       190.4694 430.5694       143.6260 197.7562 20.44016 129.9015 24.01075 67.85466       31.53278 
1 1 1 0   -3  26 o 72.40166 23.86894 125.9939       95.81440 180.2864       180.4943 104.6917       113.0594 89.66058 32.58120 70.52255 25.76208 19.13802       41.53576 
1 1 1 0   -3  27 o 102.9973 27.37033 277.6360       137.0628 174.0702       192.6276 383.8419       195.0674 89.74644 33.47599 119.7541 33.01098 -30.00761      47.01453 
1 1 1 0   -3  28 o 299.1661 13.59598 2177.549       193.9522 2218.949       318.9857 2153.265       244.2982 297.4976 22.59644 295.8753 17.34653 1.622253       28.48686 
1 1 1 0   -3  29 o 231.6669 14.61682 1313.278       161.0667 1402.098       257.9265 1256.501       206.2179 235.3901 23.22132 224.6270 19.39212 10.76303       30.25366 
1 1 1 0   -3  30 o 131.4330 19.96486 437.2287       121.5119 267.2038       218.3812 513.4756       146.2413 102.4112 35.99154 141.7371 22.31859 -39.32591      42.34985 
1 1 1 0   -3  31 o 89.30932 25.28159 209.9781       112.7966 291.6910       214.4296 178.7173       132.6293 104.6314 35.72101 84.09869 28.09432 20.53268       45.44537 
1 1 1 0   -3  32 o 52.75274 24.62681 -118.4848      153.1125 -196.3909      199.4730 -6.752038      238.8849 57.07317 27.08901 75.56136 33.44931 -18.48818      43.04267 
1 1 1 0   -3  33 o 54.17092 24.78239 -70.35858      143.9799 243.9004       340.3045 -138.8784      158.9030 103.2797 42.59278 52.33105 24.63848 50.94870       49.20569 
1 1 1 0   -3  34 o 314.6457 15.76385 2470.911       236.3779 2882.042       353.5846 2138.698       317.8425 332.9515 22.34216 285.4381 23.49913 47.51343       32.42501 
1 1 1 0   -3  35 o 53.84106 24.19928 -27.74600      130.0937 96.56211       218.5803 -95.93512      161.8896 77.74864 33.21389 54.53903 25.41483 23.20961       41.82196 
1 1 1 0   -3  36 o 166.0681 24.85450 767.4924       191.2745 1052.083       252.9007 387.1148       292.3798 190.6675 28.62701 105.5417 40.79644 85.12581       49.83829 
1 1 1 0   -3  37 o 149.7498 22.09713 622.7693       153.4541 446.3071       244.9772 736.7219       196.8620 109.5510 38.14715 157.9247 27.04597 -48.37366      46.76205 
1 1 1 0   -2  1  f 203.3988 9.819308 993.6958       95.20348 998.0206       134.6491 989.3725       134.6269 203.3524 13.93409 202.4569 13.99497 0.8955078      19.74887 
1 1 1 0   -2  2  o 378.0209 14.26412 3438.597       257.3293 3393.530       363.9445 3483.652       363.8928 374.2410 20.41850 379.2600 20.14133 -5.018951      28.68080 
1 1 1 0   -2  3  o 356.2137 8.765941 3039.172       149.2855 3055.037       327.8781 3035.023       167.6736 355.2740 19.37706 355.7412 9.868287 -0.4672546     21.74520 
1 1 1 0   -2  4  o 262.9576 6.913301 1656.077       86.83659 1643.927       123.0346 1668.136       122.5776 261.7328 9.850006 263.6668 9.740799 -1.934082      13.85301 
1 1 1 0   -2  5  o 142.4543 7.924270 487.3725       53.75616 485.1233       84.56945 488.8974       69.63401 141.6151 12.62313 142.4496 10.29417 -0.8344879     16.28844 
1 1 1 0   -2  6  o 401.2440 9.009556 3857.137       172.8305 3921.464       192.6497 3591.872       391.2125 404.4755 9.962489 384.6553 21.35703 19.82025       23.56638 
1 1 1 0   -2  7  o 172.4188 9.490571 714.7626       77.93041 704.0602       110.2483 725.4503       110.1722 170.5935 13.63096 173.2144 13.40825 -2.620834      19.12026 
1 1 1 0   -2  8  o 573.3369 7.678626 7874.890       210.4756 8038.133       299.2590 7715.096       296.0813 578.6289 10.81779 566.8583 10.92517 11.77057       15.37478 
1 1 1 0   -2  9  o 315.4799 9.176204 2390.398       138.2552 2376.785       160.5956 2429.372       271.7328 314.3133 10.70278 315.9269 18.06598 -1.613647      20.99831 
1 1 1 0   -2  10 o 168.3657 8.788702 682.1580       70.49858 649.1733       109.8492 705.2579       91.92761 163.3452 14.20757 170.8320 11.31943 -7.486725      18.16548 
1 1 1 0   -2  11 o 419.3253 9.529569 4222.052       191.0436 4315.692       214.3816 3860.845       421.0497 423.7293 10.58256 396.4647 22.30361 27.26462       24.68687 
1 1 1 0   -2  12 o 261.2294 11.48595 1643.038       143.0983 1732.720       203.4330 1555.205       201.3264 267.3954 15.98624 253.1105 16.73112 14.28488       23.14067 
1 1 1 0   -2  13 o 318.7941 12.87707 2445.634       195.8579 2573.256       278.1852 2320.191       275.7999 326.0232 17.91636 309.3416 18.73650 16.68158       25.92398 
1 1 1 0   -2  14 o 635.2800 10.74670 9674.438       326.3989 9525.641       933.8715 9695.145       348.3699 623.0795 31.45156 635.8375 11.46004 -12.75800      33.47436 
1 1 1 0   -2  15 o 522.7910 10.38310 6548.749       259.5157 6504.675       654.5766 6556.969       282.6813 517.0122 26.57116 523.0048 11.30533 -5.992554      28.87624 
1 1 1 0   -2  16 o 419.5825 11.17687 4222.899       224.0056 4127.350       451.5758 4254.084       257.9841 412.5145 22.98816 420.8996 12.83553 -8.385101      26.32881 
1 1 1 0   -2  17 o 590.9759 20.79619 8442.311       586.6572 8669.625       831.9914 8217.526       827.3453 595.6609 29.30533 579.6020 29.95884 16.05890       41.90864 
1 1 1 0   -2  18 o 108.3727 26.37397 296.7398       135.3355 271.3937       218.0993 312.6100       172.5803 107.6067 36.02820 111.4176 31.17793 -3.810905      47.64551 
1 1 1 0   -2  19 o 291.9183 12.29442 2048.877       171.2003 1880.580       270.3158 2161.596       221.2237 278.1994 20.46717 299.3527 15.51043 -21.15329      25.68031 
1 1 1 0   -2  20 o 578.6700 11.81644 8038.480       326.9083 8204.032       809.9518 8006.263       357.3045 577.6144 29.42702 577.2656 12.94656 0.3488159      32.14907 
1 1 1 0   -2  21 o 171.6486 16.47957 717.5532       133.5771 655.4659       180.8248 792.1295       198.1789 162.2646 24.03487 178.7483 23.77971 -16.48367      33.81050 
1 1 1 0   -2  22 o 157.3330 17.33768 606.2457       128.2529 564.4667       269.5387 618.4732       145.8180 146.4964 38.12317 158.3952 19.67885 -11.89883      42.90261 
1 1 1 0   -2  23 o 261.4270 13.51688 1652.861       168.3674 1997.420       256.2067 1390.961       223.3713 285.9596 18.84539 238.1367 19.79864 47.82292       27.33377 
1 1 1 0   -2  24 o 263.4986 13.90638 1682.806       174.5663 1727.410       264.5775 1648.420       232.3068 264.6589 21.08437 259.2969 18.86854 5.362030       28.29439 
1 1 1 0   -2  25 o 155.4444 23.45531 610.0244       168.8910 619.3203       296.4353 605.5566       205.5072 150.4459 40.37507 152.7873 29.19811 -2.341370      49.82646 
1 1 1 0   -2  26 o 216.9124 15.70781 1149.652       161.7917 1189.018       235.3550 1114.380       222.7785 218.0154 22.92274 211.2039 22.40425 6.811508       32.05311 
1 1 1 0   -2  27 o 185.0199 15.40477 838.4396       135.0291 756.6451       220.1327 887.7802       170.9720 171.1333 27.86324 189.2130 19.16414 -18.07965      33.81752 
1 1 1 0   -2  28 o 40.53172 19.20797 -113.3180      99.53679 139.4333       184.5301 -217.0362      118.2083 84.27965 32.45455 38.95626 19.05376 45.32339       37.63435 
1 1 1 0   -2  29 o 69.87138 28.09552 71.49464       143.6561 -5.366499      194.3789 164.0048       213.2508 70.37775 30.69260 89.86946 34.81336 -19.49171      46.41127 
1 1 1 0   -2  30 o 85.66386 27.26810 187.5786       125.6949 103.0544       335.1088 201.4173       135.5947 96.58234 41.18842 88.57246 28.33556 8.009872       49.99390 
1 1 1 0   -2  31 o 94.64931 25.74529 236.5728       119.5614 75.01151       223.9905 300.9461       141.3884 81.43963 34.14764 106.1339 27.60705 -24.69429      43.91140 
1 1 1 0   -2  32 o 115.4777 23.07782 349.9359       122.9506 668.2042       212.4477 189.6537       150.7641 157.0962 29.36584 86.42534 29.93550 70.67084       41.93432 
1 1 1 0   -2  33 o 167.8448 21.65589 727.2358       169.7312 544.4493       235.5629 924.5970       244.7742 136.5878 35.68649 184.8354 28.62410 -48.24762      45.74783 
1 1 1 0   -2  34 o 36.85892 18.07602 -199.6939      108.5579 -164.5728      198.1713 -214.7518      129.7592 57.94246 27.35207 41.28334 20.14235 16.65911       33.96837 
1 1 1 0   -2  35 o 78.26725 26.62903 164.1948       119.1485 123.5538       209.2405 183.6963       144.9429 79.93768 33.22152 82.54758 29.29379 -2.609901      44.29216 
1 1 1 0   -2  36 o 92.09345 30.89630 253.3883       160.3833 617.9695       218.4741 -172.7297      236.1933 141.6828 32.88784 61.33959 29.21719 80.34325       43.99152 
1 1 1 0   -2  37 o 101.9161 28.14409 315.6670       141.6470 -34.29277      369.4708 375.9663       153.3654 78.52287 37.15113 111.0205 28.68948 -32.49758      46.93925 
1 1 1 0   -2  38 o 44.52153 21.02834 -86.81332      117.4315 -686.5545      224.3443 139.5272       137.8207 41.55064 21.12076 71.21412 27.87298 -29.66348      34.97127 
1 1 1 0   -1  1  o 138.0441 4.302794 456.1860       28.36260 -2.224323      39.83208 927.6542       40.39540 33.01487 14.14290 196.9477 4.290152 -163.9328      14.77928 
1 1 1 0   -1  2  o 136.6005 9.539023 449.2567       61.90517 449.2567       61.90517 0.000000       0.000000 136.6005 9.539023 ?        ?        0.000000       9.539023 
1 1 1 0   -1  3  o 524.7062 18.00839 6643.797       451.0819 7706.692       638.1164 5582.168       637.7361 563.2476 23.75024 477.6555 28.05005 85.59207       36.75431 
1 1 1 0   -1  4  o 123.1105 7.141067 363.9901       41.85028 356.5012       59.30614 371.4182       59.06507 121.5230 10.30489 124.0868 10.04200 -2.563812      14.38862 
1 1 1 0   -1  5  o 225.2587 10.37010 1218.851       111.3797 1300.696       157.6935 1137.376       157.3365 232.2263 14.27241 216.9533 15.26639 15.27301       20.89890 
1 1 1 0   -1  6  o 331.5920 8.830196 2635.488       139.8608 2605.941       290.4922 2644.403       159.5733 328.2092 18.58893 332.0190 10.06447 -3.809723      21.13864 
1 1 1 0   -1  7  o 131.1622 8.573110 413.8351       53.46489 461.3972       80.79926 376.7901       71.30852 138.0895 12.36967 124.7130 12.11209 13.37655       17.31218 
1 1 1 0   -1  8  o 480.2363 17.35751 5573.653       397.8650 5360.825       562.7967 5786.283       562.5355 468.1345 25.23954 486.8280 24.24570 -18.69354      34.99841 
1 1 1 0   -1  9  o 179.7343 9.074193 776.6744       77.72127 733.7932       101.5404 837.3386       120.7736 174.2666 12.26590 185.9844 13.67842 -11.71773      18.37257 
1 1 1 0   -1  10 o 331.6531 13.26263 2656.163       209.8675 2577.252       297.2987 2734.543       296.2988 324.8788 19.22692 334.9082 18.57808 -10.02939      26.73611 
1 1 1 0   -1  11 o 167.4381 9.861238 675.8522       78.58996 718.9470       112.6880 635.0424       109.6598 172.0363 13.81700 161.5139 14.35058 10.52237       19.92106 
1 1 1 0   -1  12 o 105.3521 11.50754 270.0446       57.01930 275.0523       96.75906 267.3804       70.57539 104.6310 20.07289 104.2810 14.55172 0.3500443      24.79261 
1 1 1 0   -1  13 o 357.7858 9.850404 3072.954       168.3341 3170.486       197.5005 2813.939       321.8520 363.1679 11.38910 340.1444 19.87840 23.02356       22.90988 
1 1 1 0   -1  14 o 119.3348 10.73986 344.2268       60.61884 405.6474       90.88425 295.0046       81.36023 129.0167 15.01468 109.5799 16.00197 19.43676       21.94319 
1 1 1 0   -1  15 o 279.4488 12.28302 1876.772       163.7018 1810.707       233.9361 1940.164       229.1565 273.6333 17.98181 283.4568 16.98768 -9.823547      24.73716 
1 1 1 0   -1  16 o 313.8869 12.29009 2366.576       184.0757 2405.919       243.7568 2314.367       280.8005 315.9341 16.19209 309.3475 19.07924 6.586578       25.02401 
1 1 1 0   -1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   -1  18 o 474.5416 11.67767 5400.746       264.9348 5171.494       558.7123 5467.247       300.9174 460.8650 25.45637 477.0558 13.20650 -16.19086      28.67819 
1 1 1 0   -1  19 o 310.2364 13.47756 2315.913       199.4230 2488.053       286.0343 2153.093       278.1829 320.6218 18.74194 297.9969 19.63528 22.62494       27.14414 
1 1 1 0   -1  20 o 187.0781 13.90981 845.8549       123.5190 1107.603       191.9883 660.9939       161.3450 213.3215 19.02427 163.9473 21.07126 49.37427       28.38875 
1 1 1 0   -1  21 o 470.6457 12.15416 5325.129       273.2523 5620.403       573.5022 5238.411       310.7984 479.1538 25.12301 466.3752 13.95480 12.77856       28.73851 
1 1 1 0   -1  22 o 256.0960 13.71627 1584.171       167.3246 1675.335       250.5386 1510.768       224.8118 261.8436 20.16888 248.8763 19.03868 12.96732       27.73545 
1 1 1 0   -1  23 o 475.3885 17.49485 5487.833       396.9409 6082.203       569.1817 4925.052       553.8505 497.1222 24.01964 446.0688 26.08444 51.05344       35.45901 
1 1 1 0   -1  24 f 60.02538 24.30339 41.39081       108.3139 136.4512       277.0225 24.23578       117.6822 96.30009 38.91151 59.71186 24.87319 36.58823       46.18204 
1 1 1 0   -1  25 o 72.19246 27.26225 99.87013       128.5950 97.32211       167.3734 103.5414       200.9060 77.63141 30.61596 83.09205 33.28951 -5.460640      45.22752 
1 1 1 0   -1  26 o 305.0269 14.53983 2261.459       211.4238 2758.350       331.9815 1922.421       274.2257 334.0995 20.88854 278.7800 20.72314 55.31958       29.42413 
1 1 1 0   -1  27 o 124.0751 20.23522 388.0339       115.9000 322.2021       192.1936 425.6550       145.2904 110.5461 33.48625 128.6985 24.50803 -18.15240      41.49665 
1 1 1 0   -1  28 o 129.0668 30.23170 442.7276       183.2529 398.3765       317.1490 464.9565       224.5282 122.8860 43.35783 130.7224 35.16344 -7.836388      55.82444 
1 1 1 0   -1  29 f 40.57446 19.38806 -135.4174      105.7510 -415.5470      188.6809 -7.115885      127.6922 45.97822 22.78677 57.54990 24.98992 -11.57167      33.81912 
1 1 1 0   -1  30 o 111.6054 33.21973 338.1098       190.3795 5.473484       333.3382 499.1380       231.9269 89.79049 39.64118 133.9744 35.60451 -44.18391      53.28325 
1 1 1 0   -1  31 o 224.0067 15.30483 1233.512       162.9225 1730.410       261.1786 916.9920       208.4511 262.4760 20.98797 189.3726 23.52988 73.10345       31.53015 
1 1 1 0   -1  32 o 172.3721 20.22018 753.3177       163.4685 892.9448       372.4992 720.0143       181.9219 170.5292 45.03119 166.8786 23.44807 3.650589       50.77027 
1 1 1 0   -1  33 o 79.67638 30.11349 143.5124       156.9750 206.7898       206.5203 56.93430       241.5697 91.76752 34.57189 80.36358 34.63298 11.40395       48.93525 
1 1 1 0   -1  34 o 92.55350 28.88266 235.0344       141.6804 531.6846       352.2354 177.7752       154.7510 127.9238 45.63783 83.80892 30.20776 44.11491       54.72952 
1 1 1 0   -1  35 o 115.3843 24.38211 363.9155       130.2832 293.6425       221.1378 401.2742       161.2368 99.94155 36.09885 118.6188 28.73776 -18.67721      46.14093 
1 1 1 0   -1  36 o 73.63272 31.82275 74.97361       205.0964 680.3415       360.8946 -213.8041      249.2599 131.5280 46.26469 61.29872 29.41726 70.22932       54.82515 
1 1 1 0   -1  37 o 88.97711 27.46070 235.2562       128.4729 267.0798       225.1526 219.8926       156.4404 91.92815 35.72714 85.70598 30.43159 6.222176       46.93091 
1 1 1 0   -1  38 o 114.7052 35.68385 478.1898       216.4434 74.72897       390.0254 657.7363       260.1840 80.73219 38.18871 131.2547 38.77681 -50.52246      54.42443 
1 1 1 0   0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0   2  f 36.53555 9.284505 33.21384       16.24843 -18.34015      22.71058 87.27676       23.25664 21.02535 9.700382 59.79433 8.363868 -38.76898      12.80827 
1 1 1 0   0   3  f 28.98815 9.147161 19.81240       14.17128 15.18245       18.11856 27.10751       22.74316 28.16225 10.30908 34.72496 11.63443 -6.562708      15.54468 
1 1 1 0   0   4  o 552.8936 9.504698 7324.400       251.2397 7466.592       270.5101 6431.715       677.7897 558.1454 10.13743 512.9393 27.74213 45.20605       29.53630 
1 1 1 0   0   5  o 343.3634 13.35776 2835.479       218.8602 2892.452       309.7099 2778.648       309.3205 345.7815 18.80540 338.8108 19.17429 6.970703       26.85697 
1 1 1 0   0   6  o 250.9635 11.09002 1513.256       132.7326 1476.572       187.8961 1549.797       187.5288 247.2165 15.98328 253.3660 15.55644 -6.149445      22.30399 
1 1 1 0   0   7  o 508.1275 18.13895 6234.235       439.9425 6235.552       622.4386 6232.921       621.9070 505.5992 25.83593 505.4988 25.81891 0.1003113      36.52549 
1 1 1 0   0   8  o 264.4166 8.968687 1677.312       113.2132 1797.621       208.7869 1627.206       134.7420 272.6913 16.08634 260.2143 10.85471 12.47699       19.40606 
1 1 1 0   0   9  o 111.9313 9.916538 302.8981       52.51793 350.2438       80.97127 268.5173       68.99997 119.7430 14.43485 104.6756 14.14983 15.06741       20.21343 
1 1 1 0   0   10 o 77.80088 12.44216 149.2934       44.72089 79.29389       58.14914 250.6398       69.96805 57.80508 18.56228 100.8141 14.97068 -43.00905      23.84701 
1 1 1 0   0   11 o 295.3106 9.517289 2096.763       134.1940 2133.794       161.5425 2014.313       241.0464 297.5432 11.37704 287.4262 17.62623 10.11700       20.97906 
1 1 1 0   0   12 o 197.2806 10.49202 938.0117       98.60239 901.0403       140.8096 973.5837       138.1190 192.4220 15.43564 200.2610 14.52481 -7.839020      21.19502 
1 1 1 0   0   13 o 705.8627 24.47318 12204.77       824.6343 12408.02       1167.049 12002.10       1165.371 703.1166 34.82628 690.9553 35.39610 12.16125       49.65636 
1 1 1 0   0   14 o 440.3474 16.30281 4678.107       342.6225 4691.611       485.6931 4664.731       483.3979 438.9232 23.22811 437.6758 23.18440 1.247437       32.81861 
1 1 1 0   0   15 f 144.6989 11.27379 505.0459       77.37580 442.0045       107.9774 571.5875       110.9344 134.4358 17.19299 153.4514 15.32602 -19.01558      23.03228 
1 1 1 0   0   16 o 197.8363 12.47449 942.5228       117.3871 1270.667       224.0405 818.3483       137.8194 228.5573 20.72845 183.8444 15.83434 44.71289       26.08438 
1 1 1 0   0   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0   18 o 399.0415 13.65319 3827.868       260.0881 3466.183       316.0129 4587.262       457.9031 379.0058 17.48730 434.9785 22.09133 -55.97278      28.17503 
1 1 1 0   0   19 o 150.2530 15.80738 549.0129       111.8521 455.7663       171.3978 618.1803       147.6180 134.4162 27.59634 158.8079 19.87695 -24.39168      34.00958 
1 1 1 0   0   20 o 151.0913 15.99754 555.6644       113.8050 468.2913       177.6413 616.4880       148.2149 136.0402 28.23832 158.4844 20.00620 -22.44418      34.60709 
1 1 1 0   0   21 o 418.8034 16.15297 4234.835       322.8167 4579.838       463.0653 3908.638       450.2672 433.5910 22.41457 400.0426 23.64817 33.54843       32.58295 
1 1 1 0   0   22 o 111.4442 25.17921 315.8656       130.9820 227.1222       168.0111 453.3824       209.1450 96.86997 31.58890 132.3611 33.13111 -35.49116      45.77695 
1 1 1 0   0   23 o 304.3178 14.19255 2239.154       205.9199 2381.270       305.9456 2121.456       278.4254 311.9157 20.63223 294.5829 19.88590 17.33279       28.65551 
1 1 1 0   0   24 o 137.0140 21.61169 470.3986       136.8803 451.3560       176.7709 498.9148       216.3181 132.1147 28.80111 137.8050 33.22405 -5.690308      43.96978 
1 1 1 0   0   25 o 251.8427 14.93425 1542.538       179.0056 2102.387       306.6109 1253.042       220.4820 291.3267 22.18073 225.0598 20.72372 66.26689       30.35552 
1 1 1 0   0   26 o 632.2614 22.62860 9905.158       682.9075 10345.85       970.8663 9473.590       960.7670 635.0404 32.08181 606.0511 33.28675 28.98926       46.23040 
1 1 1 0   0   27 o 99.32665 23.80682 255.0096       111.5776 38.38164       180.6055 388.7273       141.8953 72.77122 30.59722 122.7074 25.03620 -49.93618      39.53481 
1 1 1 0   0   28 o 131.5413 19.83922 435.2892       120.8890 380.2373       193.8015 470.3531       154.6683 118.9883 32.94393 135.0883 24.86425 -16.10004      41.27388 
1 1 1 0   0   29 o 177.1865 19.50198 784.4138       162.4744 831.1523       218.1889 726.2390       243.4238 179.4847 26.19922 164.6543 32.07659 14.83034       41.41626 
1 1 1 0   0   30 o 80.34761 26.23634 161.8618       115.8786 250.5563       195.4160 113.7600       143.9104 98.94138 34.09016 75.38139 28.75281 23.56000       44.59667 
1 1 1 0   0   31 o 69.49966 28.62727 57.67645       153.4834 -27.63227      199.6887 180.8277       239.9253 69.05417 30.57482 93.62835 36.73736 -24.57418      47.79595 
1 1 1 0   0   32 f 257.6424 17.17374 1647.387       210.3314 1636.471       380.0202 1652.208       252.5391 245.0270 33.30134 255.8374 20.82698 -10.81038      39.27776 
1 1 1 0   0   33 o 114.1572 29.40745 360.7680       161.4815 532.9999       209.0819 106.1519       254.2159 137.4967 32.35020 85.90122 36.21974 51.59547       48.56342 
1 1 1 0   0   34 o 189.8920 19.71628 921.4206       176.3923 765.0637       358.5928 971.3303       202.5983 152.1408 45.66462 193.3060 22.33225 -41.16518      50.83293 
1 1 1 0   0   35 o 226.2666 16.19484 1287.654       174.0299 1409.857       269.3430 1200.074       228.0178 229.3201 24.96998 213.4348 22.69324 15.88528       33.74142 
1 1 1 0   0   36 o 130.3950 23.13516 465.1550       138.9439 141.2725       226.9301 659.3870       175.7352 81.63897 34.30991 154.5236 24.61275 -72.88464      42.22508 
1 1 1 0   0   37 o 65.10422 26.31759 86.21944       126.7822 28.07669       219.7535 115.2273       155.2194 70.32031 31.54113 71.72717 29.07458 -1.406860      42.89725 
1 1 1 0   0   38 o 97.09706 32.68657 321.7604       179.4988 201.3535       239.8599 475.0214       270.6125 82.46889 34.99624 108.2870 39.80788 -25.81814      53.00381 
1 1 1 0   1   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   1   1  o 26.48874 7.095020 17.37076       9.164873 0.6789789      12.76938 35.10397       13.16170 19.23951 8.115215 37.62257 7.579661 -18.38306      11.10441 
1 1 1 0   1   2  o 509.0187 10.77188 6212.191       262.1402 5376.989       280.3866 12009.94       738.7393 473.1756 12.40513 704.1082 21.97229 -230.9326      25.23229 
1 1 1 0   1   3  o 223.1140 6.915111 1192.568       73.67323 1240.053       104.0812 1144.885       104.2986 227.2903 9.599792 218.3368 10.01849 8.953506       13.87538 
1 1 1 0   1   4  o 370.5417 9.089695 3289.116       161.0256 3250.890       180.3919 3439.023       357.2279 368.1331 10.25953 376.8640 19.89729 -8.730865      22.38660 
1 1 1 0   1   5  o 169.3031 8.147870 687.9421       65.75679 708.4333       84.04789 655.6064       105.5808 171.6107 10.29139 164.6722 13.53007 6.938431       16.99928 
1 1 1 0   1   6  o 335.8894 9.160518 2704.791       146.9667 2890.771       306.0338 2649.043       167.5517 345.7231 18.58368 332.2479 10.56162 13.47525       21.37524 
1 1 1 0   1   7  o 178.8672 7.899117 767.5646       67.38220 742.9820       94.73763 792.7320       95.85790 175.6310 11.34336 181.4672 11.10210 -5.836166      15.87225 
1 1 1 0   1   8  o 416.5641 15.49955 4184.225       308.1422 4208.940       435.7186 4159.497       435.8392 415.9846 21.98698 413.4817 22.12821 2.502869       31.19431 
1 1 1 0   1   9  f 89.80346 11.15236 196.5958       46.85305 178.0394       60.05270 225.4632       74.90119 84.65131 15.40589 95.20730 17.08315 -10.55599      23.00381 
1 1 1 0   1   10 o 294.4599 12.34106 2090.903       173.3498 2055.112       244.9883 2126.791       245.3194 290.5840 17.71881 295.7102 17.42960 -5.126160      24.85452 
1 1 1 0   1   11 o 99.80253 10.71226 242.2435       50.31396 329.4644       72.07862 159.3559       70.26538 116.1369 13.21645 79.35648 18.80926 36.78041       22.98832 
1 1 1 0   1   12 o 209.0604 9.183760 1051.208       91.56713 1066.938       130.2660 1035.845       128.7384 209.9744 13.04083 206.8723 13.08362 3.102112       18.47280 
1 1 1 0   1   13 o 280.8002 8.593638 1892.226       115.2316 1905.224       165.0705 1879.872       160.9324 281.1890 12.30882 279.3496 12.07854 1.839386       17.24523 
1 1 1 0   1   14 o 132.6301 11.55322 425.3732       72.52738 590.8052       118.9028 327.3507       91.52612 155.7666 16.20300 115.2884 17.12494 40.47828       23.57542 
1 1 1 0   1   15 o 389.9369 14.86272 3659.533       276.5700 3904.084       392.2556 3417.772       390.0123 401.5643 20.49959 375.3297 21.82907 26.23462       29.94564 
1 1 1 0   1   16 f 255.4046 11.75181 1567.442       143.1121 1843.404       204.8565 1304.376       200.0126 276.5148 15.55889 232.0392 18.17458 44.47557       23.92476 
1 1 1 0   1   17 o 81.52053 24.93082 161.5879       106.1913 106.3206       132.2436 261.9176       178.1786 74.84030 27.77148 103.6941 32.39459 -28.85378      42.66925 
1 1 1 0   1   18 o 393.1467 15.66041 3722.460       293.7624 3601.601       419.1276 3839.161       411.8534 385.0779 22.86913 397.9165 21.73171 -12.83862      31.54781 
1 1 1 0   1   19 f 187.3818 16.17735 851.1602       143.5071 551.0165       257.6316 986.1816       172.7969 146.4871 36.83058 201.4654 18.13405 -54.97832      41.05284 
1 1 1 0   1   20 f 109.7388 20.41706 300.3476       103.1765 29.48834       158.2944 500.4211       136.0469 69.28558 28.85326 142.4214 20.57622 -73.13582      35.43856 
1 1 1 0   1   21 o 259.5157 13.82446 1624.477       170.9032 1543.416       250.1328 1695.452       234.0549 251.4569 20.99800 264.1876 18.65079 -12.73071      28.08501 
1 1 1 0   1   22 o 383.0497 12.84048 3534.078       234.8176 3698.364       413.4591 3455.858       285.2934 388.9353 22.32935 378.0439 15.81984 10.89145       27.36543 
1 1 1 0   1   23 o 347.6491 14.05852 2920.101       233.1806 2865.067       314.5255 2987.265       347.4637 342.7576 19.27139 349.4116 20.89548 -6.653961      28.42547 
1 1 1 0   1   24 o 342.7614 13.41055 2839.980       219.3351 3119.556       359.1139 2673.635       277.0047 356.3649 21.17342 331.2398 17.55455 25.12509       27.50411 
1 1 1 0   1   25 o 188.8733 15.05957 870.1366       134.8598 962.5884       201.9734 795.7568       181.1607 196.6409 21.85246 178.6535 21.65149 17.98741       30.76226 
1 1 1 0   1   26 o 205.2546 16.67784 1032.909       162.2504 938.6929       296.4781 1073.190       193.8562 188.3753 34.17836 208.2338 19.70691 -19.85846      39.45279 
1 1 1 0   1   27 o 186.5215 15.64227 852.3698       138.2044 909.7241       209.1638 807.9260       184.1232 189.9411 23.53669 179.4817 21.91125 10.45935       32.15709 
1 1 1 0   1   28 o 126.9279 20.45990 407.1892       119.9361 535.3041       188.8884 320.6447       155.2477 142.7819 28.66785 110.0861 29.07173 32.69579       40.82905 
1 1 1 0   1   29 o 65.20811 26.42949 55.66676       128.2472 10.30380       306.4379 65.29922       141.2084 87.47881 38.33482 68.71162 27.77502 18.76719       47.33931 
1 1 1 0   1   30 o 137.3643 20.38243 478.3841       129.8027 790.9455       208.5235 280.6519       165.8540 174.7652 25.72588 102.5140 31.11840 72.25122       40.37543 
1 1 1 0   1   31 f 74.16885 26.65242 125.4840       120.3616 -11.24514      201.8941 200.8725       149.9152 70.71048 31.04744 88.96339 29.87126 -18.25291      43.08405 
1 1 1 0   1   32 o 311.7795 16.18907 2399.669       240.4848 3200.143       399.7867 1945.792       301.0395 353.8996 23.76650 276.2209 23.00464 77.67865       33.07658 
1 1 1 0   1   33 o 78.03987 26.72126 153.4223       120.0105 328.1417       206.0296 63.69730       147.6440 107.6350 34.97251 68.27366 28.09519 39.36137       44.85997 
1 1 1 0   1   34 o 165.3113 21.98075 711.4459       169.4202 1190.859       364.9207 579.7190       191.2849 198.3514 39.86606 144.9946 28.61083 53.35680       49.07018 
1 1 1 0   1   35 o 97.06068 27.52815 264.2480       133.6052 694.4733       226.7023 35.30207       165.3768 155.3770 31.59574 66.78194 28.71625 88.59508       42.69559 
1 1 1 0   1   36 o 55.06481 24.42318 -7.949154      127.9634 -160.0106      222.1716 67.53685       156.5352 60.24479 28.59275 67.48074 28.43557 -7.235950      40.32526 
1 1 1 0   1   37 o 82.48275 30.18816 196.6615       155.3556 -14.48246      399.5292 234.2739       168.6261 82.43151 38.88934 87.97849 31.55510 -5.546982      50.08098 
1 1 1 0   1   38 o 115.4439 27.00332 405.6967       146.3687 760.9640       261.6961 243.9670       176.5690 145.2866 37.44155 86.42144 32.08600 58.86520       49.30904 
1 1 1 0   2   0  o 274.7816 8.299438 1809.744       108.9047 1901.094       215.4368 1778.388       126.2191 280.6168 16.12615 272.2533 9.712698 8.363464       18.82523 
1 1 1 0   2   1  o 211.3615 10.01964 1073.048       100.9597 1095.509       142.7512 1050.571       142.8060 213.0730 14.09256 208.5930 14.40838 4.480072       20.15445 
1 1 1 0   2   2  o 311.9276 8.425550 2331.826       125.5343 2226.345       257.5075 2364.709       143.7760 303.4271 17.82975 314.0031 9.588558 -10.57593      20.24452 
1 1 1 0   2   3  o 231.7189 10.51600 1289.811       116.1949 1347.533       164.3230 1232.087       164.3257 236.3315 14.61499 225.8368 15.31008 10.49472       21.16593 
1 1 1 0   2   4  o 341.0763 13.26185 2797.697       215.8419 2656.009       305.1467 2939.570       305.3465 331.1795 19.35683 348.6797 18.38209 -17.50018      26.69435 
1 1 1 0   2   5  o 336.0363 8.865086 2706.667       142.2977 2713.126       162.0170 2684.872       297.6128 336.3024 10.08819 333.1067 18.76374 3.195770       21.30374 
1 1 1 0   2   6  o 174.0319 9.577730 727.9067       79.38200 740.6224       111.9696 715.0568       112.5590 175.0941 13.47950 171.9827 13.80535 3.111374       19.29467 
1 1 1 0   2   7  o 291.0356 8.755372 2031.032       121.6844 2044.735       142.0206 1993.198       235.9896 291.8565 10.19391 287.0240 17.27753 4.832550       20.06063 
1 1 1 0   2   8  o 306.7629 9.090912 2257.575       133.1801 2294.775       156.2752 2158.873       254.5531 309.0855 10.59120 298.4254 17.92423 10.66013       20.81950 
1 1 1 0   2   9  o 434.0190 16.06070 4555.106       332.6840 4591.830       470.5556 4518.403       470.4169 433.2682 22.79694 429.7016 22.98213 3.566620       32.37096 
1 1 1 0   2   10 o 318.6887 12.96625 2451.989       197.1431 2491.156       278.9400 2412.898       278.6652 319.6677 18.32854 314.4937 18.61701 5.173981       26.12525 
1 1 1 0   2   11 o 129.1369 10.15400 403.2666       62.18570 474.7465       88.69807 334.1673       87.20855 139.6246 13.45391 116.3745 16.10571 23.25010       20.98574 
1 1 1 0   2   12 o 378.6992 9.886678 3446.805       178.8469 3494.872       205.1367 3294.504       365.1529 381.0247 11.27353 366.8063 20.90895 14.21835       23.75451 
1 1 1 0   2   13 o 464.9171 17.05148 5231.876       378.3640 5265.536       535.2020 5198.246       534.9729 463.4971 24.23672 460.4469 24.38909 3.050201       34.38382 
1 1 1 0   2   14 o 190.3793 10.55655 871.9046       95.70758 925.7501       136.1310 819.2758       134.5842 195.6313 14.66159 183.8450 15.45502 11.78630       21.30305 
1 1 1 0   2   15 o 463.1367 10.72076 5141.713       237.3795 5273.639       534.6641 5109.323       264.9214 465.8267 24.08940 461.3557 12.02106 4.471039       26.92221 
1 1 1 0   2   16 o 634.1841 11.36988 9642.266       344.7303 9643.021       938.8833 9642.147       370.6165 627.4360 31.39902 634.0355 12.22652 -6.599487      33.69550 
1 1 1 0   2   17 o 272.8756 13.53552 1791.861       176.0315 1675.927       245.6290 1914.276       252.4015 262.8849 19.68663 281.2047 18.88365 -18.31985      27.27922 
1 1 1 0   2   18 o 648.3549 22.71610 10187.83       703.0455 9635.462       993.7375 10741.35       994.7764 625.5894 33.34616 661.6041 31.54071 -36.01471      45.89970 
1 1 1 0   2   19 o 159.8056 15.63422 620.1368       117.9210 223.8854       172.4284 968.2947       161.6261 97.31147 32.01717 199.7856 17.08535 -102.4741      36.29061 
1 1 1 0   2   20 o 377.2079 15.62056 3430.978       281.0897 2925.846       400.9582 3919.151       394.1705 346.0777 24.38976 401.9484 20.58039 -55.87070      31.91258 
1 1 1 0   2   21 o 446.9638 16.91897 4827.786       360.8858 5183.182       515.3734 4485.864       505.5089 460.8748 23.46727 428.1553 24.80173 32.71951       34.14438 
1 1 1 0   2   22 o 113.1796 30.39098 328.4497       167.8973 308.1807       267.9085 341.5590       215.4565 114.4964 39.89115 116.0774 35.51415 -1.581017      53.40936 
1 1 1 0   2   23 f 151.0650 19.02234 563.0291       134.3447 931.2617       276.6607 449.4074       153.6799 190.8435 31.41436 133.1568 25.05983 57.68668       40.18529 
1 1 1 0   2   24 o 305.0893 14.44721 2255.433       210.1279 2519.339       306.5197 2021.452       288.6190 320.5059 20.10515 286.5422 21.21879 33.96365       29.23105 
1 1 1 0   2   25 o 256.3997 15.12286 1599.734       184.5554 2047.208       264.5801 1175.682       257.5628 288.6378 19.28387 216.0588 25.42050 72.57899       31.90720 
1 1 1 0   2   26 o 90.27226 25.09603 209.7411       112.2118 339.4509       178.8759 125.5756       144.0896 113.3830 31.74644 77.96321 28.97761 35.41977       42.98300 
1 1 1 0   2   27 o 266.9144 15.67800 1740.297       199.1839 1936.678       330.0188 1627.769       249.8159 277.0889 25.18709 256.1366 20.57337 20.95233       32.52158 
1 1 1 0   2   28 o 172.3552 17.09236 733.8480       138.9895 618.3165       215.6818 815.8994       181.7635 152.7817 30.59577 180.1950 21.52385 -27.41328      37.40825 
1 1 1 0   2   29 o 58.83412 24.75926 21.31491       118.4270 -370.0742      192.4342 259.9145       150.2494 48.38896 23.79774 99.25457 29.50375 -50.86561      37.90519 
1 1 1 0   2   30 o 135.6120 26.65520 484.3076       166.6534 456.3257       216.7031 524.8118       260.7215 128.3064 34.55908 135.9406 38.42107 -7.634201      51.67696 
1 1 1 0   2   31 o 62.10472 26.47119 17.20956       138.2861 -519.6902      346.3465 119.0332       150.8302 67.30421 32.85324 76.77237 29.39833 -9.468163      44.08625 
1 1 1 0   2   32 o 90.12931 28.26738 214.1514       135.5332 337.7455       231.8424 149.9844       167.0513 110.5008 37.14766 82.34508 31.07767 28.15568       48.43315 
1 1 1 0   2   33 o 156.7408 19.35515 625.8124       141.9618 871.5338       237.8287 489.8018       176.9413 179.3815 28.69880 133.7159 28.54707 45.66554       40.47908 
1 1 1 0   2   34 o 151.0901 22.79469 600.0710       159.5376 775.3293       379.5291 562.4564       175.8263 150.8521 47.30129 143.9790 26.52016 6.873108       54.22850 
1 1 1 0   2   35 o 50.61912 23.03357 -50.07302      122.2469 -89.27364      218.3870 -32.18443      147.5260 65.08232 30.04601 57.40713 25.78852 7.675194       39.59559 
1 1 1 0   2   36 o 96.54058 27.81591 271.8260       135.3689 528.7491       238.6404 149.9334       164.3733 126.8018 37.04973 77.84990 30.44871 48.95190       47.95630 
1 1 1 0   2   37 o 78.82020 33.86043 128.4134       229.5208 -59.46376      421.7467 207.4716       273.5823 81.76044 38.97140 87.64319 37.29060 -5.882744      53.93848 
1 1 1 0   2   38 o 125.3309 27.04394 476.6514       157.2841 393.9924       281.1493 514.3051       189.7559 99.22563 39.50468 125.0423 31.70286 -25.81664      50.65266 
1 1 1 0   3   0  o 179.7939 7.611164 775.2625       65.27560 747.4481       111.9653 789.5839       80.34183 175.9180 13.41381 181.3056 9.299845 -5.387619      16.32230 
1 1 1 0   3   1  o 223.8865 6.094885 1200.247       65.17748 1182.846       154.5693 1204.010       71.88042 221.3527 14.68905 224.1970 6.713701 -2.844299      16.15061 
1 1 1 0   3   2  o 135.9318 7.618738 443.7375       49.31409 432.1356       78.33028 451.3554       63.47163 133.6206 12.40321 136.8972 9.761936 -3.276596      15.78401 
1 1 1 0   3   3  o 423.8831 9.163133 4304.407       185.6943 4252.631       441.5767 4315.530       204.6712 418.5727 22.14496 424.3328 10.08885 -5.760162      24.33484 
1 1 1 0   3   4  o 757.0811 25.90040 13955.02       936.0891 13976.93       1323.722 13933.10       1323.938 750.6344 36.99988 749.4044 37.06747 1.229980       52.37354 
1 1 1 0   3   5  o 281.7961 11.82555 1908.662       158.9638 1987.628       224.5839 1829.380       225.0342 286.8559 16.44486 275.0245 17.20080 11.83139       23.79708 
1 1 1 0   3   6  o 268.3741 11.50320 1731.474       147.2513 1680.177       208.1431 1782.873       208.3467 263.5521 16.60351 271.6075 16.11735 -8.055420      23.13970 
1 1 1 0   3   7  o 303.7135 8.920266 2212.606       129.3837 2251.980       151.1515 2104.668       250.2594 306.2263 10.33915 294.6733 17.84770 11.55298       20.62616 
1 1 1 0   3   8  o 105.4607 10.66176 269.7071       53.01859 286.6123       72.36478 250.1167       77.90004 108.1518 14.34910 100.4339 16.81773 7.717873       22.10730 
1 1 1 0   3   9  o 226.8338 8.133531 1235.346       88.06266 1207.031       122.8558 1265.269       126.2942 223.7233 11.52503 229.0630 11.56988 -5.339615      16.33060 
1 1 1 0   3   10 o 147.6668 9.894971 526.2473       69.45315 642.6608       98.23429 409.8940       98.20889 162.7887 12.72306 129.0744 16.27598 33.71432       20.65875 
1 1 1 0   3   11 o 136.5104 10.59551 450.6982       68.60956 444.1440       101.6747 456.1777       92.96620 134.4812 16.13589 136.6697 14.44641 -2.188446      21.65792 
1 1 1 0   3   12 o 222.3378 11.00146 1190.929       116.5792 1253.264       165.1922 1129.081       164.5455 227.2918 15.29086 215.5129 16.08601 11.77890       22.19392 
1 1 1 0   3   13 o 394.9914 8.254283 3738.380       155.8746 3786.110       221.5830 3691.622       219.3145 396.8629 11.69126 391.8699 11.71940 4.993011       16.55385 
1 1 1 0   3   14 o 380.2924 14.63830 3482.453       265.6469 3015.778       375.2726 3951.168       376.0917 352.0935 22.40992 403.9971 19.52970 -51.90356      29.72564 
1 1 1 0   3   15 o 352.2754 14.01015 2984.836       235.4868 3091.001       333.5092 2879.281       332.5500 357.4594 19.59008 344.8189 20.26170 12.64053       28.18346 
1 1 1 0   3   16 o 590.9372 11.35165 8372.188       320.7072 8700.593       838.4236 8315.901       347.1043 596.7174 29.48038 588.7917 12.33076 7.925659       31.95529 
1 1 1 0   3   17 o 322.3676 20.16085 2517.678       309.1639 0.000000       0.000000 2517.678       309.1639 ?        ?        322.3676 20.16085 0.000000       20.16085 
1 1 1 0   3   18 o 265.5853 14.09889 1699.237       178.3768 1436.458       251.8908 1963.574       252.6367 242.7172 21.94398 284.7663 18.65944 -42.04910      28.80474 
1 1 1 0   3   19 o 419.7411 16.53274 4249.199       331.1191 4349.919       469.0923 4149.179       467.4584 422.8662 23.29312 412.8113 23.78624 10.05490       33.29196 
1 1 1 0   3   20 o 403.8128 16.25331 3935.022       313.1426 3792.747       443.5580 4076.392       442.1463 394.3660 23.63414 409.2072 22.68913 -14.84116      32.76231 
1 1 1 0   3   21 o 81.27563 28.59534 144.6947       137.8765 103.8035       164.8902 239.7368       251.3844 79.12241 30.62273 105.7243 38.44599 -26.60191      49.15125 
1 1 1 0   3   22 o 182.2623 18.24989 812.7999       156.8883 947.5696       200.3919 599.3777       252.1759 196.0454 21.74568 151.6028 35.43254 44.44258       41.57330 
1 1 1 0   3   23 o 130.8672 19.33966 425.2801       117.3607 340.4850       182.0801 485.5459       153.5015 114.7316 31.99506 138.7611 24.00720 -24.02947      40.00037 
1 1 1 0   3   24 o 465.6385 17.66208 5282.604       392.4742 5749.611       561.0438 4835.059       549.2295 481.7106 24.44127 440.4837 26.19884 41.22696       35.82953 
1 1 1 0   3   25 o 54.89804 23.26579 9.316265       105.7762 -95.17606      177.4089 66.95026       131.7566 60.74411 27.68228 67.92930 27.04403 -7.185188      38.69997 
1 1 1 0   3   26 o 121.1716 26.54319 381.6892       149.5036 184.5041       193.2091 675.9351       236.0183 91.35504 33.62733 159.9882 31.97556 -68.63319      46.40295 
1 1 1 0   3   27 o 63.19071 24.88142 62.71144       110.3900 -139.5375      185.7637 173.1214       137.2530 59.03740 27.41370 84.48059 28.58240 -25.44319      39.60384 
1 1 1 0   3   28 o 135.6972 20.59252 465.0611       129.4045 892.7424       209.7289 202.1549       164.4366 187.4540 23.94831 90.81414 31.27221 96.63985       39.38874 
1 1 1 0   3   29 o 221.7170 16.02088 1209.301       168.6766 1274.233       261.5892 1163.090       220.6831 223.2949 24.92850 214.8766 21.78245 8.418259       33.10446 
1 1 1 0   3   30 o 273.9363 16.63936 1851.312       216.8910 2365.051       381.0820 1605.164       263.7816 302.7534 26.59827 252.0156 22.11725 50.73781       34.59249 
1 1 1 0   3   31 o 163.4362 19.54114 672.8210       149.6662 804.2443       242.6720 592.1439       190.1333 173.1749 30.42018 149.5201 27.61512 23.65480       41.08506 
1 1 1 0   3   32 o 117.7171 31.56156 383.9348       181.2483 490.5192       239.5906 241.3271       277.1368 130.5766 36.80567 101.2866 39.55955 29.28999       54.03346 
1 1 1 0   3   33 o 90.30373 28.51558 220.2284       137.6985 312.0855       235.0517 172.2326       169.9059 105.3845 37.31337 84.49503 31.45485 20.88950       48.80262 
1 1 1 0   3   34 f 87.69635 29.61831 207.2478       147.3804 338.0787       406.1375 187.4067       158.1615 111.1124 46.23970 85.12154 30.55667 25.99088       55.42400 
1 1 1 0   3   35 o 220.4895 19.86594 1255.305       207.1703 1384.484       300.1878 1137.825       286.2735 223.0078 28.82949 199.9140 30.95169 23.09384       42.29831 
1 1 1 0   3   36 o 137.3653 23.92203 521.2736       151.3973 405.1458       268.6059 575.3441       183.2853 108.6190 39.70398 140.9179 28.19049 -32.29891      48.69404 
1 1 1 0   3   37 o 160.4777 21.33649 700.3488       159.6466 1087.326       286.4943 526.0678       192.2641 185.6585 33.50972 129.7899 31.34184 55.86861       45.88260 
1 1 1 0   3   38 o 92.41230 30.77070 283.4160       159.1258 392.9680       453.1394 268.0063       169.9492 94.90992 43.62181 89.40682 31.72101 5.503098       53.93593 
1 1 1 0   4   0  o 307.8498 6.814485 2268.311       100.2952 2197.614       141.7510 2339.184       141.9269 302.6528 9.809505 312.2917 9.517061 -9.638916      13.66751 
1 1 1 0   4   1  o 1082.429 36.68300 29057.49       1895.592 0.000000       0.000000 29057.49       1895.592 ?        ?        1082.429 36.68300 0.000000       36.68300 
1 1 1 0   4   2  o 660.5510 7.729431 10447.28       244.0969 9983.510       344.2697 10916.13       346.1482 645.1496 11.16169 674.6975 10.73111 -29.54791      15.48354 
1 1 1 0   4   3  o 460.7560 9.425638 5087.593       207.6300 5074.842       226.5972 5154.339       518.4238 460.0659 10.30211 460.1431 23.64517 -0.7727051E-01 25.79201 
1 1 1 0   4   4  o 269.8584 8.486195 1746.248       109.3496 1713.076       206.6226 1759.153       128.8767 266.1608 16.31614 270.6943 9.975402 -4.533478      19.12394 
1 1 1 0   4   5  o 332.0114 8.911716 2643.618       141.3285 2613.211       290.6384 2653.034       161.7384 328.3118 18.59245 332.4370 10.18846 -4.125183      21.20104 
1 1 1 0   4   6  o 161.4787 9.003363 627.0426       69.23179 695.2553       104.9468 574.4857       92.11956 169.5367 13.04815 154.0813 12.61564 15.45540       18.14962 
1 1 1 0   4   7  o 230.2738 10.71632 1276.232       117.6538 1326.751       166.0258 1225.270       166.7518 234.0639 14.91412 224.7552 15.61570 9.308701       21.59354 
1 1 1 0   4   8  o 172.9513 9.145052 719.9473       75.34805 737.6164       113.4637 706.0085       100.7773 174.3330 13.72407 170.7688 12.42880 3.564163       18.51554 
1 1 1 0   4   9  o 179.0067 9.018712 771.2068       76.93442 748.7227       108.0203 794.3533       109.6003 175.7357 12.94784 181.0780 12.74145 -5.342285      18.16565 
1 1 1 0   4   10 o 100.7866 11.74606 247.8022       55.53874 302.4389       69.41877 150.6341       92.57561 111.1955 13.32307 77.72833 23.17217 33.46719       26.72927 
1 1 1 0   4   11 o 98.11555 12.16893 235.1624       55.85915 320.3644       85.74235 172.3358       73.62786 113.9864 16.18854 82.61218 19.03356 31.37426       24.98690 
1 1 1 0   4   12 o 298.1169 12.51570 2140.568       177.9848 2074.308       250.8584 2207.734       252.5673 292.2728 18.04072 301.6738 17.58810 -9.401031      25.19541 
1 1 1 0   4   13 o 305.4123 12.77129 2244.307       186.0673 2394.302       262.8703 2093.698       263.4084 314.5816 17.54787 293.8286 18.85056 20.75293       25.75406 
1 1 1 0   4   14 o 395.2873 9.980655 3746.677       188.4659 3795.975       402.5590 3732.838       213.2839 395.7142 21.35757 394.3814 11.32356 1.332764       24.17373 
1 1 1 0   4   15 f 265.0231 12.10876 1688.133       153.0180 1774.071       215.9292 1601.442       216.8743 271.0430 16.74521 257.3020 17.73873 13.74106       24.39395 
1 1 1 0   4   16 o 169.3005 14.34242 693.3190       114.9972 725.9152       161.9668 660.1829       163.3025 172.3300 20.03168 163.9824 21.33528 8.347610       29.26537 
1 1 1 0   4   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   4   18 o 157.1254 16.00850 600.1310       118.5778 318.1916       170.3082 865.4022       165.1972 112.2046 30.81146 188.5358 18.56809 -76.33118      35.97388 
1 1 1 0   4   19 o 479.3167 13.00170 5522.296       297.6664 5761.731       590.0529 5440.561       344.7501 485.8517 25.49183 475.2761 15.19177 10.57565       29.67529 
1 1 1 0   4   20 o 272.2179 15.34839 1790.154       198.9414 1473.852       294.6777 2055.056       269.6735 244.5306 25.58431 290.8244 19.50825 -46.29378      32.17342 
1 1 1 0   4   21 o 459.1539 13.41654 5077.986       294.1991 5007.171       543.1574 5107.387       349.9842 451.6266 25.25640 459.7671 15.94631 -8.140472      29.86922 
1 1 1 0   4   22 o 365.9792 14.18202 3235.107       247.6739 3135.760       386.4387 3304.365       322.6546 357.4319 22.73186 368.6055 18.36699 -11.17358      29.22471 
1 1 1 0   4   23 o 58.77678 25.86237 -30.56158      140.7725 38.63211       166.4716 -204.2213      263.7282 71.10256 29.59785 70.12733 32.59751 0.9752350      44.02988 
1 1 1 0   4   24 o 127.4396 26.03059 417.3137       153.2312 418.7721       185.4286 414.1732       272.1020 126.3719 30.94333 125.5397 40.13759 0.8322830      50.68053 
1 1 1 0   4   25 o 251.4961 15.03146 1540.722       179.9097 1596.304       262.3954 1491.411       247.1499 253.4197 21.87127 245.1382 21.29948 8.281494       30.52901 
1 1 1 0   4   26 o 178.8566 16.65663 786.8217       140.7924 1453.692       219.8214 322.9788       183.3305 242.6264 19.10465 110.5738 32.51907 132.0526       37.71575 
1 1 1 0   4   27 f 238.2891 15.23332 1388.004       172.6341 1457.945       257.4427 1330.857       232.7096 241.1281 22.59503 230.8889 21.32232 10.23927       31.06729 
1 1 1 0   4   28 o 276.1675 14.91839 1863.743       196.2401 2247.020       296.7443 1565.843       261.6142 300.3234 20.79578 249.7843 22.13620 50.53902       30.37229 
1 1 1 0   4   29 o 253.8958 16.71254 1589.306       201.7365 1669.340       287.1196 1511.270       283.5116 256.4003 23.69042 243.2422 24.72256 13.15811       34.24092 
1 1 1 0   4   30 o 143.9815 20.71719 527.1077       138.5087 378.9778       226.2337 615.9228       175.1779 116.7176 36.50846 154.0870 24.60691 -37.36936      44.02690 
1 1 1 0   4   31 o 116.7284 25.60339 360.8921       138.9442 612.3879       227.2078 210.6581       175.6071 149.1288 32.76475 91.64706 32.26939 57.48177       45.98742 
1 1 1 0   4   32 o 203.7598 21.26670 1058.257       204.1237 1017.811       273.6060 1109.026       306.5426 193.7233 30.55304 200.3410 33.16388 -6.617706      45.09247 
1 1 1 0   4   33 f 251.1001 18.54813 1591.741       221.0949 1897.011       417.7703 1472.978       260.5774 258.3791 34.69600 238.0065 23.19412 20.37256       41.73463 
1 1 1 0   4   34 o 109.1615 30.74079 341.3683       167.2167 1410.584       409.0548 126.8458       183.2252 212.5178 41.75037 79.14115 31.76204 133.3767       52.45876 
1 1 1 0   4   35 o 82.34614 30.85061 174.7333       163.9625 -467.2097      254.4377 630.6280       214.4201 53.56094 26.52998 146.9388 31.47075 -93.37782      41.16124 
1 1 1 0   4   36 o 111.6772 28.18357 368.8359       150.4578 392.6627       259.1505 356.7208       184.7916 106.6783 38.99821 106.1859 32.96168 0.4923706      51.06205 
1 1 1 0   4   37 o 140.3187 24.09794 557.1119       155.8384 733.2681       280.0680 478.1117       187.5551 142.2388 39.68665 122.5232 31.75944 19.71563       50.83003 
1 1 1 0   4   38 o 88.52377 36.10516 284.7675       241.1114 318.3178       453.8908 271.5783       284.5845 90.35815 42.25399 87.18983 37.58260 3.168327       56.54955 
1 1 1 0   5   0  o 149.3015 6.758586 534.8073       48.11726 538.5052       67.85143 531.0661       68.24644 149.5480 9.539822 148.4930 9.665678 1.055084       13.58063 
1 1 1 0   5   1  f 410.7963 6.590946 4040.162       129.4442 4161.438       192.9051 3940.825       174.5862 416.5455 9.686633 405.4448 9.006784 11.10077       13.22698 
1 1 1 0   5   2  o 196.6578 6.109936 926.6180       57.37583 876.9044       90.31236 960.2621       74.29582 190.9366 9.927588 200.0585 7.782661 -9.121902      12.61455 
1 1 1 0   5   3  o 291.9923 7.042425 2041.868       98.31097 2041.376       138.2441 2042.371       139.8349 291.5225 9.933475 291.5776 10.04621 -0.5514526E-01 14.12800 
1 1 1 0   5   4  o 304.4890 12.31920 2233.265       178.9637 2124.166       252.8517 2342.782       253.3347 295.6705 17.97238 310.7930 17.11572 -15.12247      24.81843 
1 1 1 0   5   5  f 255.4208 8.364596 1565.954       102.0055 1390.636       183.0439 1644.925       122.8494 239.3206 16.09157 261.5851 9.840719 -22.26443      18.86209 
1 1 1 0   5   6  o 222.0202 10.52375 1187.381       111.3867 1222.762       156.8669 1151.400       158.1907 224.5085 14.69549 217.6964 15.29659 6.812149       21.21186 
1 1 1 0   5   7  o 303.9913 9.295587 2221.018       134.9384 2336.767       259.9837 2178.339       157.8674 309.6807 17.63284 300.7285 10.99871 8.952179       20.78193 
1 1 1 0   5   8  o 286.1686 8.929265 1967.811       122.0153 2027.405       144.0370 1816.380       229.6040 290.2073 10.39824 272.8379 17.69767 17.36935       20.52635 
1 1 1 0   5   9  o 230.4874 9.416859 1277.743       103.5491 1343.511       170.9501 1239.628       130.1403 235.1986 15.28570 226.5718 12.05770 8.626801       19.46897 
1 1 1 0   5   10 o 269.8622 9.561718 1750.081       123.1685 1731.261       211.6543 1759.718       151.4545 266.9772 16.66540 270.2430 11.75056 -3.265808      20.39145 
1 1 1 0   5   11 o 529.8082 18.96213 6805.744       479.5271 6886.127       677.5613 6725.080       678.7478 529.2068 26.86819 522.7584 27.25218 6.448364       38.26984 
1 1 1 0   5   12 o 94.38261 17.13311 221.2830       74.46366 171.3941       103.7070 274.3749       106.9845 83.21396 24.45433 104.4723 22.11005 -21.25838      32.96769 
1 1 1 0   5   13 o 280.6669 12.28897 1893.729       164.4981 1998.516       232.3670 1788.456       232.9049 287.6211 16.97386 271.8437 18.02229 15.77740       24.75712 
1 1 1 0   5   14 o 539.2737 10.51511 6969.653       271.1012 7044.965       295.6497 6571.812       679.5167 542.0565 11.40839 519.1063 27.47800 22.95020       29.75218 
1 1 1 0   5   15 o 344.1441 8.864708 2838.194       145.7308 3085.215       203.3872 2577.569       208.9129 358.4695 11.88403 327.4186 13.37422 31.05090       17.89134 
1 1 1 0   5   16 o 148.5230 17.87324 538.8897       124.3651 567.4765       205.9729 522.4886       156.0140 149.9633 29.77921 145.1445 23.26896 4.818832       37.79214 
1 1 1 0   5   17 o 86.25854 25.77788 183.1111       114.4588 237.4082       130.3286 0.5450430E-04  239.3363 97.29740 27.04508 80.97063 34.67660 16.32677       43.97616 
1 1 1 0   5   18 o 518.8365 18.87512 6506.670       467.4167 5969.990       658.7220 7050.930       663.3563 493.6602 28.02550 537.5506 25.88795 -43.89041      38.15252 
1 1 1 0   5   19 o 310.5933 14.52096 2325.754       215.0264 1629.953       283.1772 3273.280       330.4542 258.0341 23.20226 367.5921 18.86653 -109.5580      29.90470 
1 1 1 0   5   20 o 163.9336 18.67748 658.3093       143.7764 571.6804       174.0082 844.7071       255.2460 151.1481 24.94987 182.8919 30.24789 -31.74379      39.21009 
1 1 1 0   5   21 o 600.5170 12.86671 8679.793       369.4036 8822.637       412.0234 8094.515       834.0132 604.9712 14.24554 570.1036 30.71263 34.86755       33.85559 
1 1 1 0   5   22 o 204.9396 14.60527 1019.310       142.1635 1504.602       206.0222 578.1990       196.4205 248.4752 17.45396 150.4176 28.35330 98.05762       33.29490 
1 1 1 0   5   23 o 208.1408 14.91803 1053.688       147.4645 1090.135       211.2295 1019.036       205.9627 209.8866 21.34718 202.7863 21.57509 7.100327       30.35106 
1 1 1 0   5   24 o 202.4212 15.66073 1000.675       150.3793 1273.958       211.2066 719.6923       214.1610 227.2492 19.63236 167.5043 27.71081 59.74489       33.96054 
1 1 1 0   5   25 o 223.3596 15.30285 1218.219       162.4252 1311.091       228.0304 1122.569       231.4149 229.6823 20.99824 211.4647 23.27435 18.21751       31.34679 
1 1 1 0   5   26 o 187.5224 19.73024 874.5379       174.2390 796.4427       299.4348 914.5182       214.2462 170.6548 37.70686 190.0463 24.12284 -19.39146      44.76291 
1 1 1 0   5   27 o 216.2405 21.76484 1172.750       221.9520 875.9203       316.4822 1460.041       311.3555 178.0519 38.31521 238.1337 27.87499 -60.08182      47.38217 
1 1 1 0   5   28 o 142.2818 32.13718 547.3142       213.4274 132.2548       315.0304 899.4366       290.1645 97.15150 40.59957 181.9742 34.61687 -84.82270      53.35403 
1 1 1 0   5   29 o 82.80820 29.32088 163.9214       145.1416 357.2263       325.5986 115.9843       162.1425 116.6372 43.51943 77.87022 30.30310 38.76695       53.03036 
1 1 1 0   5   30 o 71.46384 28.74114 79.92860       150.3638 -219.9956      335.4769 155.3279       168.2056 77.13480 36.15296 83.45136 31.25083 -6.316559      47.78756 
1 1 1 0   5   31 o 234.4499 18.12173 1370.945       201.5469 1524.134       373.7426 1308.129       239.3285 235.6500 34.16954 226.5459 22.38927 9.104187       40.85140 
1 1 1 0   5   32 o 113.4195 29.62879 356.3338       162.3942 24.43541       388.2478 426.7138       178.7851 93.30015 41.88025 123.8372 30.42096 -30.53700      51.76283 
1 1 1 0   5   33 o 178.3573 23.82464 838.3754       198.0777 685.4163       259.8248 1050.630       306.0703 151.9961 36.26338 190.7163 34.85183 -38.72017      50.29595 
1 1 1 0   5   34 o 92.04402 29.64275 236.5194       148.2180 665.6270       244.5920 -12.49581      186.3254 149.5893 34.85024 65.85945 29.32567 83.72984       45.54706 
1 1 1 0   5   35 o 60.08913 28.75667 -208.6192      234.5558 -208.6192      234.5558 0.000000       0.000000 60.08913 28.75667 ?        ?        0.000000       28.75667 
1 1 1 0   5   36 o 180.6865 25.25630 920.3405       212.2223 1256.110       285.0928 503.0489       317.8232 205.5316 29.88868 113.8521 42.88874 91.67951       52.27597 
1 1 1 0   5   37 o 65.46609 27.76006 73.95796       150.7307 -88.31899      257.8273 158.2198       185.7872 66.01725 31.17433 77.42760 31.65010 -11.41035      44.42486 
1 1 1 0   5   38 o 71.42118 30.09909 132.3016       175.4147 141.2444       445.0689 130.6569       190.8643 82.13160 39.38701 72.11810 30.92765 10.01350       50.07850 
1 1 1 0   6   0  o 386.4756 7.015969 3579.336       129.6337 3584.677       183.0298 3573.961       183.6312 386.1591 9.922179 385.5707 9.970080 0.5884094      14.06599 
1 1 1 0   6   1  o 276.0771 7.367806 1828.243       97.16022 1824.334       126.8273 1833.796       151.1653 275.4442 9.645872 275.8204 11.48866 -0.3762207     15.00107 
1 1 1 0   6   2  o 340.5171 13.33939 2801.002       216.7415 0.000000       0.000000 2801.002       216.7415 ?        ?        340.5171 13.33939 0.000000       13.33939 
1 1 1 0   6   3  o 250.5996 6.446913 1505.417       77.17557 1524.432       118.8562 1491.556       101.4779 251.7031 9.896282 249.1805 8.530803 2.522583       13.06564 
1 1 1 0   6   4  o 220.7234 8.557393 1170.855       90.13109 1232.750       156.9341 1140.391       110.1002 225.3521 14.64557 217.5132 10.61962 7.838867       18.09058 
1 1 1 0   6   5  o 511.8877 18.35682 6383.163       448.5148 6274.887       634.0149 6491.631       634.5768 502.4746 26.48582 511.4243 26.03911 -8.949615      37.14208 
1 1 1 0   6   6  o 61.58191 11.65359 94.25246       33.05383 98.34577       40.29476 85.83208       57.79326 62.63008 13.82756 59.47272 18.42889 3.157364       23.03965 
1 1 1 0   6   7  o 436.4928 7.500554 4566.971       156.5232 4511.969       218.6091 4624.828       224.2117 433.2733 10.55354 438.6272 10.69189 -5.353912      15.02310 
1 1 1 0   6   8  f 421.7448 15.70854 4304.118       316.1800 4336.128       446.6022 4271.951       447.6919 420.7467 22.28142 417.5091 22.51200 3.237640       31.67415 
1 1 1 0   6   9  o 89.25084 11.79823 194.6939       49.11095 180.4252       57.87154 231.4135       92.83686 85.34398 14.71481 95.80577 20.86110 -10.46179      25.52863 
1 1 1 0   6   10 o 314.0382 7.929336 2363.705       118.9543 2352.320       164.7134 2376.115       171.9750 312.8942 11.02815 314.4109 11.46005 -1.516663      15.90449 
1 1 1 0   6   11 o 282.2170 9.400910 1910.603       126.6645 1970.198       152.4203 1777.587       227.7153 286.3869 11.15353 270.9790 17.67358 15.40793       20.89873 
1 1 1 0   6   12 o 464.5986 9.989064 5172.344       221.8764 5252.142       245.5469 4817.286       517.9480 468.0516 10.97318 445.0502 24.43648 23.00140       26.78716 
1 1 1 0   6   13 o 291.1949 12.36084 2037.770       171.6924 1921.902       239.9783 2159.273       245.7437 281.9475 17.89543 299.0288 17.26279 -17.08124      24.86465 
1 1 1 0   6   14 o 351.8635 14.10250 2978.083       236.7544 3225.359       333.9748 2728.286       335.6742 365.2567 19.19260 335.4585 21.03597 29.79819       28.47575 
1 1 1 0   6   15 o 526.0955 18.99285 6683.099       476.9246 6597.815       670.9873 6770.178       678.0139 520.0460 27.08089 526.8403 27.00867 -6.794250      38.24713 
1 1 1 0   6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   6   17 o 475.4046 13.35133 5433.359       303.1559 5693.856       578.2419 5334.618       356.0044 483.2529 25.11420 470.5171 15.84864 12.73587       29.69684 
1 1 1 0   6   18 o 502.4234 18.38315 6103.119       440.8241 5692.786       619.7949 6523.193       627.1082 482.0639 27.00065 516.8032 25.45937 -34.73932      37.11084 
1 1 1 0   6   19 o 572.8727 12.82035 7888.648       351.1288 7259.473       754.4471 8062.616       396.7135 542.5970 29.19072 578.7540 14.33754 -36.15704      32.52174 
1 1 1 0   6   20 o 167.9739 18.66460 691.8380       147.3609 886.4826       243.0963 578.7643       185.2840 187.8381 27.91752 151.4535 26.55656 36.38455       38.53101 
1 1 1 0   6   21 o 165.6472 16.30227 670.1340       127.4332 647.0209       174.4594 696.5720       186.5867 160.9625 23.35150 166.9090 24.07795 -5.946487      33.54162 
1 1 1 0   6   22 o 692.8804 12.79770 11576.54       423.9342 11772.35       461.1640 10508.57       1076.992 698.2153 13.81522 641.2885 35.26353 56.92688       37.87317 
1 1 1 0   6   23 o 286.8079 14.32675 1996.074       195.8258 2375.408       278.2746 1623.934       275.6236 311.3223 18.78364 255.6526 22.78924 55.66977       29.53261 
1 1 1 0   6   24 o 109.8143 26.89974 314.2312       140.0905 355.7032       166.6871 214.4791       258.5150 116.2407 29.84324 100.9590 38.53013 15.28168       48.73592 
1 1 1 0   6   25 o 148.6624 28.48258 576.4365       195.0694 869.2597       282.4666 309.4554       269.7146 180.6513 33.95139 111.6380 39.92354 69.01331       52.40788 
1 1 1 0   6   26 o 347.9869 14.39917 2948.426       239.0394 3499.514       340.9139 2415.457       335.2624 376.6776 18.99198 310.6717 22.72954 66.00589       29.61971 
1 1 1 0   6   27 o 152.3335 23.84642 594.3099       167.9780 560.8715       199.0884 676.9327       312.9490 145.4232 29.64212 154.0064 41.55169 -8.583191      51.04115 
1 1 1 0   6   28 o 60.26648 26.77798 -35.04726      154.5155 -136.6722      178.5406 268.1753       308.4023 57.32200 26.70438 107.7171 41.82755 -50.39512      49.62527 
1 1 1 0   6   29 o 222.0169 16.73198 1219.983       176.2925 1145.689       247.4294 1296.585       251.2448 210.7516 25.04610 225.1772 23.69262 -14.42554      34.47676 
1 1 1 0   6   30 o 54.07589 24.36441 -49.53543      132.7911 -49.72635      191.1605 -49.35739      184.6011 65.52894 29.40284 64.40182 28.89579 1.127113       41.22491 
1 1 1 0   6   31 o 220.9942 16.42232 1212.078       172.2695 2281.392       258.9882 363.5381       230.7086 302.4976 17.98936 113.4125 37.01888 189.0851       41.15840 
1 1 1 0   6   32 o 92.37041 28.74479 232.7982       140.4370 357.1354       221.0423 148.6360       181.8584 110.8388 36.23864 82.34703 32.07919 28.49177       48.39745 
1 1 1 0   6   33 o 67.47686 29.31224 22.34737       175.8297 62.47198       217.8358 -52.66879      297.8525 76.69131 32.96715 78.05102 35.68349 -1.359703      48.58132 
1 1 1 0   6   34 o 49.55650 24.02412 -239.7366      176.7135 -110.4444      221.5527 -465.8259      292.9752 64.10879 29.82619 59.22609 29.17340 4.882698       41.72157 
1 1 1 0   6   35 o 62.90215 26.62938 50.18382       138.3236 -192.4067      229.8033 188.0138       173.2173 59.58330 28.50089 83.09289 31.58052 -23.50959      42.53975 
1 1 1 0   6   36 o 55.52990 25.26906 -30.73983      147.1442 -122.6929      236.8244 27.07777       187.7904 62.64914 29.67132 66.10281 29.43696 -3.453667      41.79620 
1 1 1 0   6   37 o 54.54144 26.13807 -148.8792      195.2657 -342.0758      244.6148 190.4622       324.1913 53.40563 26.37250 84.34228 38.02908 -30.93665      46.27871 
1 1 1 0   6   38 o 50.49482 24.40455 -153.5314      178.8698 -476.2991      437.9648 -88.91601      195.9576 64.61275 32.43033 56.11325 26.69516 8.499508       42.00426 
1 1 1 0   7   0  o 213.9481 7.967017 1098.796       81.34921 1110.577       98.20010 1073.029       145.2319 214.8938 9.582379 210.3956 14.52753 4.498215       17.40319 
1 1 1 0   7   1  o 282.1445 7.490375 1909.096       100.9483 1903.835       131.1042 1916.758       158.2109 281.4383 9.758492 282.0454 11.75879 -0.6070862     15.28062 
1 1 1 0   7   2  o 115.8544 7.467752 322.9875       41.14256 0.000000       0.000000 322.9875       41.14256 ?        ?        115.8544 7.467752 0.000000       7.467752 
1 1 1 0   7   3  o 273.6584 11.50162 1803.886       150.1436 0.000000       0.000000 1803.886       150.1436 ?        ?        273.6584 11.50162 0.000000       11.50162 
1 1 1 0   7   4  o 161.5160 5.914674 625.3852       45.59536 576.1602       80.45724 648.6728       55.33940 154.4649 10.96630 164.4023 7.057174 -9.937393      13.04084 
1 1 1 0   7   5  o 202.6232 8.402332 985.9254       81.21832 1008.071       100.8942 945.1574       136.8936 204.6514 10.34556 197.4622 14.60412 7.189209       17.89724 
1 1 1 0   7   6  o 158.5011 8.455142 603.8419       63.83915 692.8034       84.00672 482.2475       98.21317 169.5833 10.41169 140.7006 14.82287 28.88272       18.11411 
1 1 1 0   7   7  o 184.7407 9.347969 820.3122       82.29519 916.4214       127.0352 750.8121       108.0275 194.7059 13.73512 176.2677 12.90848 18.43825       18.84894 
1 1 1 0   7   8  o 245.1914 11.16940 1445.424       130.5874 1487.625       183.3901 1402.015       185.9945 248.0939 15.53954 240.6943 16.25855 7.399597       22.49039 
1 1 1 0   7   9  o 654.3568 22.71053 10388.59       709.4004 10489.75       1002.586 10287.15       1003.903 652.7002 32.22884 646.1322 32.60376 6.567993       45.84433 
1 1 1 0   7   10 o 811.5213 11.66725 15795.01       452.6649 15727.31       474.2127 16489.63       1518.926 809.6426 12.25100 814.6342 39.11438 -4.991577      40.98807 
1 1 1 0   7   11 o 222.7525 10.85893 1192.155       115.2943 1145.767       160.5905 1241.499       165.6275 217.7796 15.52573 226.7618 15.36837 -8.982208      21.84571 
1 1 1 0   7   12 o 516.6528 10.85038 6398.243       268.0106 6662.458       653.9456 6344.904       293.8199 523.1475 26.22991 514.3459 11.94862 8.801636       28.82321 
1 1 1 0   7   13 o 345.2980 13.93351 2867.945       229.5463 3087.278       322.8168 2643.622       326.4689 357.3546 18.96295 330.2205 20.78443 27.13412       28.13514 
1 1 1 0   7   14 o 499.7903 11.74866 5991.634       280.7273 5891.494       313.3267 6399.146       632.0688 495.1914 13.24665 512.5151 25.87957 -17.32370      29.07277 
1 1 1 0   7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   7   16 o 420.6762 16.42957 4268.531       329.7969 4243.310       460.2574 4295.145       472.8020 417.5992 23.14380 419.9896 23.64229 -2.390411      33.08464 
1 1 1 0   7   17 o 44.79383 20.87766 -100.7423      109.3304 -49.53406      120.2913 -343.9432      262.1482 52.40039 23.43211 63.71797 30.46836 -11.31758      38.43676 
1 1 1 0   7   18 o 97.20109 22.04674 238.4577       100.0888 206.8660       128.5553 287.0816       159.4881 91.28653 27.32828 106.4743 30.03523 -15.18777      40.60726 
1 1 1 0   7   19 o 119.0883 19.48294 352.6136       107.0935 251.5213       140.4446 493.0545       165.5360 99.64774 28.21112 139.7505 25.72355 -40.10277      38.17811 
1 1 1 0   7   20 o 243.3978 14.02007 1433.486       162.4552 1550.838       221.3437 1296.454       239.1849 252.0987 18.49357 229.3507 22.08629 22.74799       28.80653 
1 1 1 0   7   21 o 335.4694 12.89098 2717.509       206.3660 3063.754       279.8210 2304.618       305.5668 355.1035 16.52760 306.3141 20.99251 48.78946       26.71791 
1 1 1 0   7   22 o 281.8600 14.41309 1927.758       193.5773 2147.869       268.4290 1689.250       279.4210 295.9424 19.07360 260.9389 22.62139 35.00351       29.58935 
1 1 1 0   7   23 o 395.9887 13.24668 3797.655       250.4301 4180.767       313.2457 3119.075       416.8918 414.3594 15.84164 353.0400 24.85858 61.31943       29.47722 
1 1 1 0   7   24 f 156.2929 17.66891 604.6417       129.7131 804.6248       176.4538 369.5125       191.3321 179.4284 20.96454 117.7124 32.78734 61.71602       38.91685 
1 1 1 0   7   25 o 132.6517 23.86517 451.3561       145.7867 503.6367       264.0516 428.4311       174.8528 135.0252 38.83175 127.2713 29.33770 7.753853       48.66832 
1 1 1 0   7   26 o 225.6073 15.19745 1246.512       162.9637 1388.920       229.4040 1101.438       231.5419 235.9399 20.54177 208.4863 23.64685 27.45352       31.32312 
1 1 1 0   7   27 o 136.4189 20.95309 472.6752       132.2938 313.1648       185.7557 636.8582       188.4568 107.9422 32.96605 156.5175 26.10373 -48.57537      42.04956 
1 1 1 0   7   28 o 252.9313 15.51561 1573.507       186.7174 1818.525       264.9706 1331.834       263.1552 269.0758 20.75788 227.8480 24.54459 41.22787       32.14539 
1 1 1 0   7   29 o 321.0569 16.00349 2540.828       244.8691 3313.344       356.4302 1850.315       336.9820 363.2039 20.61114 266.6187 26.79985 96.58514       33.80903 
1 1 1 0   7   30 o 211.3554 20.44881 1129.335       204.0503 1136.941       345.7101 1125.268       252.7781 200.1690 37.50263 207.5810 26.04250 -7.411987      45.65807 
1 1 1 0   7   31 o 138.9976 29.45402 530.6031       189.6405 841.5365       352.9246 404.3814       224.8616 163.9644 44.07700 118.0779 36.30994 45.88651       57.10686 
1 1 1 0   7   32 o 112.0371 28.76911 351.2050       154.8853 321.7670       222.4889 378.8864       215.7485 105.4760 36.37361 113.2454 35.68497 -7.769424      50.95544 
1 1 1 0   7   33 o 41.18882 20.23234 -249.9032      137.7518 -521.2128      213.5047 -56.42304      180.2989 45.90334 22.98277 61.39565 27.95116 -15.49231      36.18667 
1 1 1 0   7   34 o 143.3935 23.72684 557.9284       156.9754 1098.229       246.5045 189.3651       203.5932 199.3522 26.52135 86.07163 33.82081 113.2805       42.97940 
1 1 1 0   7   35 o 123.3098 32.48332 479.3478       194.1310 551.2408       243.4716 353.8629       321.6628 126.8267 37.52162 100.9012 41.48984 25.92556       55.93995 
1 1 1 0   7   36 o 129.6979 26.66276 497.3610       159.8006 459.8369       253.2343 522.1910       205.9945 110.7362 38.76954 125.3862 33.66026 -14.64994      51.34286 
1 1 1 0   7   37 o 67.19592 29.22073 85.86395       175.1138 235.4885       415.8389 53.61098       193.0672 85.77072 40.21667 66.06007 29.60225 19.71065       49.93670 
1 1 1 0   8   0  o 444.3659 8.524502 4729.660       181.0998 4779.610       214.2252 4604.561       339.0244 446.5339 10.03478 437.0031 16.25532 9.530762       19.10320 
1 1 1 0   8   1  o 453.8906 7.001079 4931.527       151.9234 5086.829       506.5840 4916.180       159.2536 457.2606 23.24914 453.1516 7.350846 4.108948       24.38355 
1 1 1 0   8   2  o 473.5128 7.323457 5367.877       165.7892 0.000000       0.000000 5367.877       165.7892 ?        ?        473.5128 7.323457 0.000000       7.323457 
1 1 1 0   8   3  o 440.9699 7.314003 4655.293       154.1958 0.000000       0.000000 4655.293       154.1958 ?        ?        440.9699 7.314003 0.000000       7.314003 
1 1 1 0   8   4  o 391.7676 8.531249 3676.188       159.7899 3670.494       194.7582 3687.916       279.4928 391.1353 10.42432 391.3056 14.96744 -0.1703491     18.23981 
1 1 1 0   8   5  o 231.3420 10.74049 1285.954       118.4677 1314.768       166.7482 1256.587       168.3405 233.3581 15.02603 228.0361 15.53379 5.321945       21.61204 
1 1 1 0   8   6  o 610.0292 10.22335 8918.854       298.1618 8984.004       318.3597 8453.744       850.6343 612.1481 10.87811 587.2271 30.40253 24.92096       32.29004 
1 1 1 0   8   7  o 758.6697 26.05414 13998.21       943.6106 14433.93       1334.006 13561.88       1334.928 764.0847 36.62471 739.7473 37.87163 24.33734       52.68425 
1 1 1 0   8   8  o 211.7685 9.410172 1076.308       95.03448 1035.718       145.8778 1106.237       125.2634 207.1062 14.83106 214.4033 12.27162 -7.297028      19.24975 
1 1 1 0   8   9  o 325.3685 9.937412 2538.708       154.4002 2718.417       294.8492 2470.809       181.2361 335.4222 18.45768 320.7687 11.83832 14.65350       21.92788 
1 1 1 0   8   10 o 550.1590 10.80022 7254.813       284.0724 7473.507       728.8611 7215.643       308.4654 553.6211 27.62472 548.5343 11.76235 5.086792       30.02463 
1 1 1 0   8   11 o 354.3138 9.638908 3009.758       163.1250 3007.647       186.6195 3016.591       335.8300 354.0277 11.03933 353.0179 19.97979 1.009827       22.82671 
1 1 1 0   8   12 o 56.22877 16.26683 77.64045       46.20818 11.26750       55.27142 231.7276       84.21477 41.46989 17.13995 96.39677 18.94918 -54.92687      25.55091 
1 1 1 0   8   13 o 490.9044 11.92516 5781.677       279.8784 5681.985       314.7677 6158.073       611.6233 486.2099 13.55445 502.7540 25.52960 -16.54410      28.90474 
1 1 1 0   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   8   15 o 415.7825 15.91500 4168.634       315.7756 3793.896       438.2358 4573.313       455.4072 394.6410 23.33134 433.8345 22.02883 -39.19348      32.08770 
1 1 1 0   8   16 o 450.4527 17.12353 4901.805       368.0945 4830.025       513.2173 4977.848       528.2359 444.8120 24.22472 451.4538 24.56664 -6.641724      34.50155 
1 1 1 0   8   17 o 109.5771 26.30656 305.4441       136.0658 347.7188       208.9348 274.3115       179.2991 117.0925 34.78819 105.0264 32.44577 12.06615       47.57043 
1 1 1 0   8   18 o 204.6702 16.56938 1018.942       160.7470 823.8079       240.6661 1176.114       215.9914 180.5904 28.84479 218.9329 20.88851 -38.34250      35.61393 
1 1 1 0   8   19 o 493.7320 12.26259 5868.043       289.4554 6266.664       335.2908 4701.721       573.5233 509.5815 13.77521 434.9873 27.72248 74.59415       30.95630 
1 1 1 0   8   20 o 85.80255 27.82202 179.2339       130.4303 301.4461       223.9998 116.5427       160.4329 110.0420 36.50431 79.48769 30.34894 30.55434       47.47234 
1 1 1 0   8   21 o 296.1803 14.45801 2128.393       204.1074 2324.323       283.5170 1917.598       294.0754 307.7748 19.36622 278.2570 22.29202 29.51785       29.52939 
1 1 1 0   8   22 o 86.23744 26.65973 187.3942       121.0279 95.02586       136.0786 537.0353       264.7523 72.48402 27.88099 140.4783 38.35211 -67.99427      47.41554 
1 1 1 0   8   23 o 72.32439 27.73039 97.04619       134.3157 52.54549       229.8242 120.1301       165.5264 81.57979 34.42015 79.83025 30.73882 1.749542       46.14783 
1 1 1 0   8   24 o 362.3297 15.68347 3205.606       271.0346 3212.703       378.0316 3198.099       388.7968 359.0324 22.13105 357.7315 22.85252 1.300903       31.81227 
1 1 1 0   8   25 o 249.2761 15.87578 1523.527       188.2180 1831.212       275.7471 1255.121       257.5452 270.6666 21.48540 222.2219 24.65587 48.44472       32.70374 
1 1 1 0   8   26 o 302.2451 15.16398 2235.776       218.4196 2284.036       301.2412 2182.281       317.1568 302.3310 20.97120 294.3970 22.70910 7.934052       30.91107 
1 1 1 0   8   27 o 191.4681 18.91852 916.5755       170.9167 948.4735       205.7500 845.5555       307.0070 192.9774 22.73695 172.9616 38.15290 20.01585       44.41410 
1 1 1 0   8   28 f 283.3851 17.10900 1989.161       230.7185 2404.191       319.9281 1539.422       333.0371 308.3394 21.84418 241.0049 29.51966 67.33456       36.72300 
1 1 1 0   8   29 o 54.26329 24.98423 -90.50350      149.5663 -136.1804      171.9485 51.48666       303.1652 55.66770 26.02371 88.21630 38.40361 -32.54860      46.39042 
1 1 1 0   8   30 o 59.17971 26.68991 -51.84251      159.7951 -201.4364      182.2755 444.8869       332.1477 53.56402 25.55615 122.5067 44.24235 -68.94269      51.09307 
1 1 1 0   8   31 o 158.9617 25.76957 677.1301       189.1433 718.2349       221.1199 565.0367       365.1499 161.0011 29.82511 130.8591 46.48991 30.14203       55.23449 
1 1 1 0   8   32 o 90.36781 28.48994 226.3124       137.5023 41.87962       190.9148 425.1000       198.2052 71.24049 30.74549 119.9813 33.35304 -48.74081      45.36199 
1 1 1 0   8   33 o 65.20956 28.30584 25.27400       163.7067 285.7137       337.6146 -54.78404      187.1846 101.9648 42.27228 62.27086 28.39986 39.69396       50.92640 
1 1 1 0   8   34 o 50.76689 24.19711 -150.1335      162.5491 -398.3119      351.8757 -82.80486      183.2767 66.40010 32.55931 58.52551 27.19430 7.874592       42.42215 
1 1 1 0   8   35 o 149.1508 28.28082 663.1538       194.2853 1074.056       373.7906 511.0520       227.4188 163.1773 45.96410 121.3755 36.35080 41.80181       58.60102 
1 1 1 0   8   36 o 122.4905 32.21975 499.2663       191.1761 847.9166       381.7067 382.5244       220.8758 131.2231 47.42317 101.7970 36.15818 29.42610       59.63531 
1 1 1 0   8   37 o 159.1532 36.87055 957.0983       275.0361 991.6039       405.0066 927.5668       374.6807 128.3220 48.39866 128.8367 46.92387 -0.5147400     67.41127 
1 1 1 0   9   0  o 291.5295 7.816311 2035.784       108.8430 1974.837       234.2519 2052.564       122.9172 285.9975 17.21182 292.6501 8.795259 -6.652557      19.32882 
1 1 1 0   9   1  o 408.4053 9.108254 3994.397       177.8422 0.000000       0.000000 3994.397       177.8422 ?        ?        408.4053 9.108254 0.000000       9.108254 
1 1 1 0   9   2  o 355.0965 9.093680 3021.667       154.2542 0.000000       0.000000 3021.667       154.2542 ?        ?        355.0965 9.093680 0.000000       9.093680 
1 1 1 0   9   3  o 370.7060 14.10804 3304.229       249.5808 0.000000       0.000000 3304.229       249.5808 ?        ?        370.7060 14.10804 0.000000       14.10804 
1 1 1 0   9   4  o 229.6345 7.268156 1263.269       79.69342 0.000000       0.000000 1263.269       79.69342 ?        ?        229.6345 7.268156 0.000000       7.268156 
1 1 1 0   9   5  o 362.7083 8.013711 3149.325       138.9631 3317.075       175.2669 2865.361       228.0341 371.9756 9.864171 345.2047 13.84512 26.77084       16.99968 
1 1 1 0   9   6  o 376.3119 9.264316 3391.706       166.6747 3421.033       187.8986 3283.444       361.0167 377.6961 10.41568 368.2946 20.58521 9.401520       23.07026 
1 1 1 0   9   7  o 229.5944 8.132004 1263.579       89.12117 1352.358       121.0476 1158.491       131.6975 237.3009 10.69711 219.3854 12.60941 17.91550       16.53558 
1 1 1 0   9   8  o 269.2397 9.508516 1738.669       122.2019 1608.820       203.8590 1811.498       152.6727 258.0667 16.61125 274.5998 11.65579 -16.53308      20.29264 
1 1 1 0   9   9  o 305.9406 9.987719 2245.209       145.8913 2216.816       257.4613 2258.638       177.0619 302.8477 17.86125 306.6076 12.10285 -3.759888      21.57553 
1 1 1 0   9   10 o 414.4989 9.854839 4116.948       195.2906 4107.460       218.4651 4154.685       435.6979 413.7458 11.05425 413.8174 22.10277 -0.7159424E-01 24.71293 
1 1 1 0   9   11 o 434.7501 16.28258 4555.229       337.8338 4700.121       478.0848 4410.720       477.4542 439.9126 22.80951 425.8984 23.54018 14.01422       32.77825 
1 1 1 0   9   12 o 471.5584 17.40092 5366.179       391.6253 5297.904       552.1511 5435.296       555.5481 466.2655 24.85930 472.3506 24.68646 -6.085144      35.03436 
1 1 1 0   9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   9   14 o 395.5205 12.40758 3760.802       234.3295 3795.376       281.3668 3682.538       423.3328 396.8512 14.85608 388.7499 22.87850 8.101318       27.27873 
1 1 1 0   9   15 o 290.6172 14.05452 2037.012       194.6956 2024.970       267.5086 2050.575       283.9048 288.5749 19.50428 290.1194 20.60262 -1.544495      28.37049 
1 1 1 0   9   16 o 323.0770 13.56418 2516.980       209.0454 2504.584       271.5855 2535.000       327.4628 321.2889 17.74980 322.1757 21.38085 -0.8867493     27.78842 
1 1 1 0   9   17 o 152.4003 18.01151 570.4728       128.7004 465.7227       143.6383 996.9678       289.8345 136.3241 22.84647 197.8004 31.72069 -61.47621      39.09174 
1 1 1 0   9   18 o 282.2623 15.50782 1932.512       208.4684 2302.619       272.1134 1406.647       324.3576 307.2356 18.61281 236.0709 29.37260 71.16472       34.77336 
1 1 1 0   9   19 o 474.2127 18.20652 5481.313       412.0035 5775.953       576.2466 5173.180       589.2943 482.6947 25.05629 455.3019 27.19620 27.39279       36.97906 
1 1 1 0   9   20 o 290.9640 14.76988 2056.346       204.7866 1951.816       266.6851 2206.559       319.6924 281.6218 19.93611 298.3390 22.58141 -16.71719      30.12256 
1 1 1 0   9   21 o 324.1651 15.08344 2557.116       233.1217 3016.594       323.9556 2063.638       335.7273 350.1529 19.42787 286.8283 24.72359 63.32455       31.44357 
1 1 1 0   9   22 o 114.7191 25.97793 342.5895       139.1559 302.4309       160.5635 463.7889       278.9380 107.1689 30.10305 130.2103 40.50946 -23.04133      50.46989 
1 1 1 0   9   23 o 204.8738 17.50272 1034.967       169.7949 1102.276       267.8360 989.7399       219.5511 206.9143 27.77604 197.8489 23.68082 9.065399       36.50054 
1 1 1 0   9   24 o 117.2991 22.32698 353.1501       120.6357 438.5680       161.6525 245.7891       181.2305 129.3168 27.01906 98.17131 32.84168 31.14549       42.52770 
1 1 1 0   9   25 o 180.8217 19.84510 818.7858       168.7428 1661.389       277.5909 324.9378       212.5153 256.5798 22.86889 110.1031 35.49791 146.4767       42.22662 
1 1 1 0   9   26 o 242.2648 17.63279 1454.911       202.8320 1782.071       254.5796 886.2742       335.6303 266.8610 20.10179 175.3265 40.80857 91.53455       45.49089 
1 1 1 0   9   27 o 118.3223 35.41251 392.3541       215.8850 -89.90719      285.7238 1033.956       329.5628 77.24308 35.17391 191.4645 37.34491 -114.2215      51.30152 
1 1 1 0   9   28 o 148.6028 20.01046 560.8322       138.5552 547.7806       189.1902 575.9302       203.4827 142.6702 28.73166 145.5624 30.22909 -2.892136      41.70499 
1 1 1 0   9   29 o 235.3159 16.08093 1372.480       179.8262 1620.637       250.5308 1108.752       258.2711 252.7805 20.91756 204.8803 27.02585 47.90022       34.17515 
1 1 1 0   9   30 o 212.0932 19.71557 1146.031       197.6254 993.1596       325.3776 1235.390       248.7678 182.5236 38.50053 216.8220 24.42276 -34.29846      45.59344 
1 1 1 0   9   31 o 132.5462 24.54407 473.0098       149.8064 392.9308       207.5782 560.0516       216.4143 114.9003 34.79974 138.5626 33.11983 -23.66229      48.04108 
1 1 1 0   9   32 o 88.44000 28.29435 217.7805       135.1995 260.4004       188.0870 172.2163       194.4751 95.43843 33.41257 84.52216 33.10161 10.91628       47.03314 
1 1 1 0   9   33 o 47.90062 23.15190 -201.6703      161.0285 -169.5947      184.0934 -306.1558      332.2603 53.83224 25.68388 67.99741 32.95880 -14.16517      41.78450 
1 1 1 0   9   34 o 106.5449 31.98173 362.9296       175.8866 253.2572       203.8569 682.3594       347.9080 89.97960 34.24524 127.6002 45.37424 -37.62063      56.84679 
1 1 1 0   9   35 o 49.70477 24.04685 -187.9462      174.7570 -214.8973      201.2801 -105.4205      352.2147 52.62181 25.54045 73.00072 35.01614 -20.37891      43.34103 
1 1 1 0   9   36 o 155.6528 23.46162 708.4529       169.1718 818.1209       238.9653 598.2698       239.5258 153.6062 33.48687 123.3413 37.38728 30.26490       50.19143 
1 1 1 0   10  0  o 534.1201 8.939101 6832.192       228.2659 6279.867       623.9131 6917.548       245.2708 508.0300 25.77196 537.3763 9.546824 -29.34631      27.48338 
1 1 1 0   10  1  o 221.7320 8.509613 1178.964       90.04086 0.000000       0.000000 1178.964       90.04086 ?        ?        221.7320 8.509613 0.000000       8.509613 
1 1 1 0   10  2  o 167.6825 9.710199 675.8519       77.51086 0.000000       0.000000 675.8519       77.51086 ?        ?        167.6825 9.710199 0.000000       9.710199 
1 1 1 0   10  3  o 292.7369 8.586925 2053.799       120.0477 0.000000       0.000000 2053.799       120.0477 ?        ?        292.7369 8.586925 0.000000       8.586925 
1 1 1 0   10  4  o 523.5613 9.633391 6567.089       241.1322 0.000000       0.000000 6567.089       241.1322 ?        ?        523.5613 9.633391 0.000000       9.633391 
1 1 1 0   10  5  o 117.9559 8.473430 334.8827       47.46614 0.000000       0.000000 334.8827       47.46614 ?        ?        117.9559 8.473430 0.000000       8.473430 
1 1 1 0   10  6  o 326.6760 6.685784 2553.821       104.4186 2716.157       165.0341 2445.452       134.8399 336.4920 10.27068 319.4170 8.838321 17.07495       13.55001 
1 1 1 0   10  7  o 279.9432 9.110347 1879.230       121.7684 1963.258       145.2850 1680.842       223.2381 285.9789 10.64479 263.5321 17.82333 22.44684       20.76012 
1 1 1 0   10  8  o 416.5923 15.54855 4180.257       309.1339 4139.804       435.4144 4221.374       438.9702 412.9689 22.13435 417.0397 22.09539 -4.070831      31.27516 
1 1 1 0   10  9  o 197.7765 12.86711 943.1030       121.0041 784.0042       175.4967 1087.283       167.0658 178.8812 20.91522 211.8497 16.62813 -32.96852      26.71968 
1 1 1 0   10  10 o 583.8124 11.58060 8178.104       323.2307 7527.004       763.5643 8320.253       356.7742 553.9858 28.92984 588.6459 12.67742 -34.66010      31.58564 
1 1 1 0   10  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   10  12 o 107.5297 18.23083 286.7657       90.37783 390.9299       122.3240 161.5520       134.1154 125.3579 21.16309 83.75163 28.25401 41.60624       35.30107 
1 1 1 0   10  13 o 200.7648 14.57040 975.4963       138.8998 907.9350       173.7542 1095.110       231.1938 192.7799 19.10330 210.8706 23.32181 -18.09071      30.14702 
1 1 1 0   10  14 o 54.73122 22.11981 32.74653       89.54209 -49.90598      112.5665 175.1554       147.7576 50.24902 22.55353 87.09695 29.65383 -36.84793      37.25602 
1 1 1 0   10  15 f 276.7843 13.50956 1849.860       178.2285 1570.759       234.2629 2233.432       274.6288 253.5849 19.47185 302.7519 19.07055 -49.16696      27.25507 
1 1 1 0   10  16 o 52.48116 22.16710 8.315365       95.49052 74.49953       120.3652 -104.0811      156.8557 67.41916 26.14432 56.10961 25.74297 11.30955       36.69095 
1 1 1 0   10  17 o 313.2100 13.54268 2371.966       202.3118 2584.830       260.8157 2050.408       320.5620 326.0099 16.79036 287.8458 23.49828 38.16412       28.88053 
1 1 1 0   10  18 o 299.9396 13.85581 2179.376       198.1524 2467.705       263.2915 1802.736       300.9232 318.0229 17.38299 269.2894 23.61244 48.73358       29.32091 
1 1 1 0   10  19 o 118.9063 21.63411 358.2126       118.4558 539.3965       152.4911 82.52355       188.1024 146.2661 22.52901 78.89741 31.99718 67.36868       39.13279 
1 1 1 0   10  20 o 45.51500 20.82646 -64.17432      101.7476 -78.57817      108.4357 41.90325       294.2692 46.00729 21.21550 89.41809 38.37548 -43.41080      43.84945 
1 1 1 0   10  21 o 278.1636 14.63857 1885.225       193.9884 2108.815       261.0848 1609.660       289.8459 292.4984 18.76929 252.7835 24.28165 39.71487       30.69014 
1 1 1 0   10  22 o 121.7857 30.89121 396.0311       180.1065 517.0336       225.3669 182.1498       299.6259 138.0455 34.29940 100.6885 40.54465 37.35701       53.10667 
1 1 1 0   10  23 o 218.9000 15.06281 1173.624       156.6767 1410.582       210.5874 879.8420       234.4823 238.6261 18.60587 184.1918 27.46591 54.43434       33.17461 
1 1 1 0   10  24 o 168.0266 16.98177 699.7430       134.5469 502.8158       176.0954 975.9515       208.5517 138.0750 27.64135 196.2390 22.64379 -58.16400      35.73214 
1 1 1 0   10  25 f 93.08527 34.12932 207.2980       198.7045 164.7506       259.6402 267.4465       308.7080 93.70575 37.73907 107.0993 41.77449 -13.39356      56.29694 
1 1 1 0   10  26 o 44.67560 21.19498 -134.1319      121.8409 -218.9706      162.6980 -25.79618      183.8531 48.91667 23.55000 66.17192 29.31611 -17.25525      37.60368 
1 1 1 0   10  27 f 218.5486 16.87915 1186.159       174.9970 1275.978       241.2962 1086.498       254.1718 223.3001 22.92765 203.5175 26.77120 19.78261       35.24734 
1 1 1 0   10  28 o 184.9876 18.86184 862.1191       164.4836 976.9389       223.7170 727.0242       242.6667 193.6579 24.72650 161.9610 32.47092 31.69691       40.81373 
1 1 1 0   10  29 o 50.31510 24.22174 -218.4890      172.0488 195.4536       317.5318 -390.5200      204.7013 97.73506 40.79577 49.01815 24.19078 48.71691       47.42878 
1 1 1 0   10  30 o 67.51070 27.75661 68.47897       143.9406 -27.65598      208.0268 156.7830       199.3742 68.17398 30.62442 84.00300 33.32443 -15.82902      45.25895 
1 1 1 0   10  31 o 167.8753 21.42058 739.2191       168.0091 620.5604       238.6702 855.7744       236.5456 143.2815 35.11898 174.4565 29.40534 -31.17500      45.80411 
1 1 1 0   10  32 o 61.56877 27.27832 -0.1878905     159.2039 174.4744       328.1890 -53.93801      182.0598 91.66680 39.93072 60.93216 27.87255 30.73465       48.69642 
1 1 1 0   10  33 o 54.68591 24.64323 -20.61147      135.9103 184.5467       194.5109 -216.3266      189.9816 82.28394 32.82605 51.66140 25.01242 30.62254       41.26949 
1 1 1 0   10  34 o 73.82417 29.04364 145.3750       150.2993 -17.76352      210.0836 316.4234       215.1163 64.65939 29.71227 95.59796 35.43008 -30.93858      46.23969 
1 1 1 0   10  35 o 50.06860 23.75167 -100.1864      152.9502 -71.23942      207.6171 -134.5416      226.1819 59.48668 28.05523 58.43654 28.03811 1.050137       39.66399 
1 1 1 0   10  36 o 113.9147 31.37464 464.1467       176.2923 587.4689       243.9056 329.2435       255.1010 116.4732 38.06580 87.18665 36.49182 29.28651       52.73195 
1 1 1 0   11  0  o 254.1146 8.349524 1548.106       101.3000 1569.347       186.2407 1539.182       120.7193 254.9807 15.34880 253.2213 9.991284 1.759399       18.31424 
1 1 1 0   11  1  o 336.2168 13.93652 2720.612       223.5318 0.000000       0.000000 2720.612       223.5318 ?        ?        336.2168 13.93652 0.000000       13.93652 
1 1 1 0   11  2  o 493.4626 9.590839 5835.026       226.2659 0.000000       0.000000 5835.026       226.2659 ?        ?        493.4626 9.590839 0.000000       9.590839 
1 1 1 0   11  3  o 380.8268 9.288904 3474.827       169.1221 0.000000       0.000000 3474.827       169.1221 ?        ?        380.8268 9.288904 0.000000       9.288904 
1 1 1 0   11  4  o 256.3235 8.946967 1575.872       109.4728 0.000000       0.000000 1575.872       109.4728 ?        ?        256.3235 8.946967 0.000000       8.946967 
1 1 1 0   11  5  o 276.9786 11.03910 1842.940       145.8873 0.000000       0.000000 1842.940       145.8873 ?        ?        276.9786 11.03910 0.000000       11.03910 
1 1 1 0   11  6  o 312.8128 8.484796 2345.572       126.7748 0.000000       0.000000 2345.572       126.7748 ?        ?        312.8128 8.484796 0.000000       8.484796 
1 1 1 0   11  7  o 414.3167 15.88535 4139.565       314.0743 4209.464       437.9725 4065.566       450.6344 416.1199 22.09426 408.5876 23.16400 7.532288       32.01136 
1 1 1 0   11  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   11  9  o 699.5354 8.847798 11727.02       295.9057 11678.35       403.0438 11783.94       435.8234 697.3248 12.08951 700.2093 13.01890 -2.884460      17.76649 
1 1 1 0   11  10 o 414.1601 16.15502 4143.185       319.2642 4538.068       448.6120 3737.939       454.4604 431.6700 21.80820 390.7241 24.45119 40.94592       32.76367 
1 1 1 0   11  11 o 497.7756 12.01053 5954.944       285.8277 5363.989       574.2758 6149.545       329.5457 467.2703 25.80678 505.2678 13.65476 -37.99750      29.19662 
1 1 1 0   11  12 o 314.6506 13.70822 2389.201       205.7190 2427.896       282.6173 2345.593       300.0236 315.8927 18.79833 310.0052 20.35577 5.887482       27.70802 
1 1 1 0   11  13 o 268.8270 12.50484 1743.179       160.2757 1414.613       216.0073 2145.657       239.0717 240.6535 18.92669 297.2630 16.89157 -56.60948      25.36819 
1 1 1 0   11  14 o 375.2103 11.95629 3392.012       214.2027 3586.109       260.6632 2988.357       375.9039 385.1967 14.17851 348.5703 22.67998 36.62631       26.74718 
1 1 1 0   11  15 o 283.6133 13.93277 1947.093       188.3393 1945.800       255.6113 1948.628       278.5716 281.9933 19.07196 281.5732 20.84140 0.4201050      28.25073 
1 1 1 0   11  16 o 186.0459 14.48807 842.4417       127.8510 833.8176       165.9785 855.0249       200.4882 183.8690 19.16230 184.9353 23.18377 -1.066299      30.07792 
1 1 1 0   11  17 o 89.09071 23.42376 203.5103       101.0715 203.3612       125.5042 203.7854       170.4886 89.54123 27.04634 92.39010 31.84136 -2.848869      41.77771 
1 1 1 0   11  18 o 343.8191 12.83253 2862.498       210.5657 3244.628       268.6968 2254.355       338.9685 365.0509 15.43054 300.3108 23.80371 64.74014       28.36756 
1 1 1 0   11  19 o 93.41978 29.07100 223.2097       143.6431 -0.1371409E-01 221.2573 385.8370       188.8533 75.78165 32.90100 120.2582 32.20538 -44.47657      46.03979 
1 1 1 0   11  20 o 294.0939 15.01001 2109.843       210.3471 2298.417       285.0275 1884.307       311.7116 304.8389 19.66213 273.5947 24.07603 31.24420       31.08464 
1 1 1 0   11  21 o 505.5409 11.93987 6183.143       288.5786 6206.178       321.9104 6088.871       651.2249 505.5717 13.32978 488.0567 28.02738 17.51501       31.03574 
1 1 1 0   11  22 o 119.7223 28.32755 380.7159       159.5945 416.4535       254.0370 357.4146       205.1277 122.8483 38.72370 114.8259 34.55401 8.022392       51.89898 
1 1 1 0   11  23 o 306.2418 14.53961 2293.376       212.2676 2955.772       287.1870 1495.759       315.1397 346.1042 17.41193 239.7983 28.01565 106.3059       32.98563 
1 1 1 0   11  24 o 106.9982 26.38202 304.7876       134.0906 354.6967       147.6375 69.65958       320.4489 115.2242 27.23409 91.92334 39.75266 23.30084       48.18682 
1 1 1 0   11  25 o 247.1078 15.43789 1504.832       181.4713 1937.578       244.7224 976.1752       270.4854 278.7669 18.46626 190.3723 30.76781 88.39461       35.88399 
1 1 1 0   11  26 f 169.7548 21.63537 736.4553       171.6033 527.5339       264.6308 888.0565       225.4242 134.4825 38.93494 183.9243 26.39122 -49.44177      47.03643 
1 1 1 0   11  27 o 166.1389 18.95018 697.6573       147.8314 617.0993       195.2966 805.7532       226.2274 151.4724 27.99936 173.3792 28.26513 -21.90683      39.78545 
1 1 1 0   11  28 o 172.2967 28.72802 811.0192       228.3139 716.5486       294.3448 953.7101       361.7481 152.9490 39.85695 173.4496 43.66125 -20.50060      59.11752 
1 1 1 0   11  29 o 72.87884 29.54228 95.31352       160.2588 128.2926       178.0876 -45.09669      367.4630 78.74265 31.41089 85.33680 39.24390 -6.594147      50.26656 
1 1 1 0   11  30 o 281.0317 20.43934 2042.552       272.7418 2228.728       363.6749 1803.240       412.3189 285.9258 26.92110 245.5805 36.20277 40.34528       45.11526 
1 1 1 0   11  31 o 54.06720 24.36021 -31.05614      132.7409 -123.9448      187.8960 61.49315       187.5524 57.30761 26.92225 71.24174 30.60673 -13.93413      40.76248 
1 1 1 0   11  32 o 60.45470 26.10333 34.45701       137.7474 -104.5672      195.1804 172.4147       194.4303 58.44730 27.45182 81.08186 32.65680 -22.63456      42.66227 
1 1 1 0   11  33 o 159.2904 22.41974 706.7395       166.0196 995.6426       233.8579 413.1982       235.7276 183.2352 27.54698 106.2432 37.38915 76.99197       46.44120 
1 1 1 0   11  34 o 80.85771 32.09282 208.2560       184.9975 549.5043       353.7837 79.83004       217.0346 106.0472 43.54888 70.49268 31.50190 35.55448       53.74825 
1 1 1 0   11  35 o 129.0257 33.16474 605.7676       205.6895 529.8876       239.5683 818.5870       401.2098 110.7334 37.75790 112.3997 46.28984 -1.666328      59.73616 
1 1 1 0   12  0  o 448.6386 9.375347 4825.732       201.0909 4626.850       473.8485 4869.417       222.0808 435.5526 22.83549 450.5246 10.31060 -14.97202      25.05530 
1 1 1 0   12  1  o 255.0186 9.149189 1560.974       111.3675 0.000000       0.000000 1560.974       111.3675 ?        ?        255.0186 9.149189 0.000000       9.149189 
1 1 1 0   12  2  o 306.4203 8.418211 2251.505       123.2066 0.000000       0.000000 2251.505       123.2066 ?        ?        306.4203 8.418211 0.000000       8.418211 
1 1 1 0   12  3  o 284.8912 12.64898 1954.477       171.8537 0.000000       0.000000 1954.477       171.8537 ?        ?        284.8912 12.64898 0.000000       12.64898 
1 1 1 0   12  4  o 384.8936 9.416007 3552.151       173.2670 0.000000       0.000000 3552.151       173.2670 ?        ?        384.8936 9.416007 0.000000       9.416007 
1 1 1 0   12  5  o 119.8531 12.36012 348.8489       69.80935 0.000000       0.000000 348.8489       69.80935 ?        ?        119.8531 12.36012 0.000000       12.36012 
1 1 1 0   12  6  o 111.6161 11.97779 302.7635       62.91768 0.000000       0.000000 302.7635       62.91768 ?        ?        111.6161 11.97779 0.000000       11.97779 
1 1 1 0   12  7  o 537.9899 11.87804 6956.416       305.5112 0.000000       0.000000 6956.416       305.5112 ?        ?        537.9899 11.87804 0.000000       11.87804 
1 1 1 0   12  8  o 232.7240 8.864062 1300.667       98.44363 1347.959       155.2385 1268.857       127.3173 236.1584 13.80979 229.4711 11.64322 6.687271       18.06308 
1 1 1 0   12  9  f 58.88265 20.09466 77.89375       67.85646 45.80843       72.82976 289.0446       186.8324 52.96661 20.39097 107.2018 33.12079 -54.23516      38.89445 
1 1 1 0   12  10 o 68.43174 19.46018 116.7716       66.67815 121.1020       79.15311 106.1888       123.7389 70.30965 21.52833 72.92710 26.89948 -2.617455      34.45361 
1 1 1 0   12  11 o 199.8609 12.83657 966.3312       122.0065 952.5508       163.6043 983.5967       183.1281 197.4183 17.51562 200.1510 19.37986 -2.732697      26.12232 
1 1 1 0   12  12 o 147.8311 16.82383 536.5819       116.7916 438.5639       136.1908 809.0111       227.0502 132.0639 22.36783 178.6856 27.45510 -46.62170      35.41331 
1 1 1 0   12  13 o 107.3823 18.53731 288.4940       91.72859 286.1990       100.5500 299.8786       223.9511 106.4825 20.49504 109.6046 36.50450 -3.122086      41.86437 
1 1 1 0   12  14 o 269.5458 11.98956 1755.359       154.1190 1674.700       189.9589 1910.720       263.6357 262.4200 15.20612 278.7126 19.91640 -16.29260      25.05771 
1 1 1 0   12  15 o 222.0729 14.68659 1200.657       155.0529 1425.220       188.9251 737.2917       271.3827 241.4919 16.46203 166.3075 35.22930 75.18434       38.88575 
1 1 1 0   12  16 o 272.9693 14.26451 1811.667       185.5109 1944.380       233.1144 1582.482       306.3416 281.6807 17.39513 250.2021 25.98796 31.47856       31.27242 
1 1 1 0   12  17 o 341.0003 15.26713 2833.781       248.2663 3117.205       340.0238 2510.157       363.3376 355.2283 20.10340 316.3383 24.20819 38.89001       31.46718 
1 1 1 0   12  18 o 194.7192 16.98569 933.4990       156.5438 1054.434       222.1578 814.2297       220.6230 204.6217 23.11327 177.9633 26.75801 26.65831       35.35837 
1 1 1 0   12  19 f 153.6785 21.14067 595.0963       151.2132 597.1956       221.0568 593.2501       207.3009 149.4817 31.90385 149.8296 29.98714 -0.3478546     43.78452 
1 1 1 0   12  20 o 196.3698 15.28513 946.2413       142.3707 998.0758       178.1550 854.6394       236.8320 200.4054 18.81436 181.0524 28.28543 19.35307       33.97125 
1 1 1 0   12  21 o 274.3529 15.25116 1844.071       199.2546 2100.394       264.3570 1506.897       303.1961 290.8810 19.11527 241.9247 26.65536 48.95633       32.80095 
1 1 1 0   12  22 o 243.3306 16.81065 1462.804       194.3623 1570.746       270.9127 1348.317       279.0057 248.7424 23.04282 228.5226 25.99907 20.21977       34.74080 
1 1 1 0   12  23 o 285.2026 15.84717 2004.079       215.2299 2049.834       294.3085 1951.476       315.5641 284.7420 21.78477 276.0912 24.14997 8.650848       32.52380 
1 1 1 0   12  24 o 58.38784 25.77617 -21.41645      140.9226 -56.51199      195.0331 16.92338       203.8485 65.56052 29.53419 72.91068 31.61778 -7.350159      43.26606 
1 1 1 0   12  25 o 168.3435 22.57559 729.2683       177.1194 791.3586       204.6114 543.6617       353.7647 173.9316 25.35137 133.4202 45.87160 40.51140       52.41084 
1 1 1 0   12  26 o 47.53420 22.82618 -191.6876      150.6175 -182.4340      167.3231 -231.2108      345.8018 51.58332 24.57606 76.64082 36.16433 -25.05750      43.72461 
1 1 1 0   12  27 o 61.73287 26.48487 21.08067       140.0744 -17.13823      184.5158 73.06499       215.1942 65.72736 29.22995 77.77524 33.08169 -12.04788      44.14508 
1 1 1 0   12  28 o 201.6784 17.50794 1030.006       167.1409 1223.895       217.5537 750.7139       261.1084 217.2052 21.22056 158.9337 35.28360 58.27145       41.17335 
1 1 1 0   12  29 o 65.80389 29.06095 4.728957       179.2877 -226.8481      290.7619 146.7910       227.7345 67.61530 32.26500 84.29921 34.81179 -16.68391      47.46463 
1 1 1 0   12  30 o 92.01343 29.39967 245.9920       146.0049 306.3358       185.4530 147.6104       236.7961 100.3380 33.21274 83.56942 35.07991 16.76857       48.30824 
1 1 1 0   12  31 o 128.0418 27.91227 484.3991       166.0336 411.5947       205.7248 620.4164       281.1932 111.3493 34.81212 129.9882 40.70843 -18.63896      53.56360 
1 1 1 0   12  32 o 106.4641 39.70572 439.9760       270.9726 449.7117       328.2881 419.1631       479.9946 104.2689 42.27671 99.55070 45.43110 4.718231       62.05888 
1 1 1 0   12  33 o 158.8398 29.39569 795.2938       215.0098 677.3478       237.1788 1339.211       509.3314 137.2639 35.78189 145.0151 54.36476 -7.751205      65.08357 
1 1 1 0   12  34 o 81.39252 33.19102 244.3387       203.7190 171.4681       221.5121 644.0453       518.7901 74.82988 32.69696 94.58858 44.52941 -19.75870      55.24454 
1 1 1 0   13  0  o 145.5176 11.57045 512.4086       79.83366 0.000000       0.000000 512.4086       79.83366 ?        ?        145.5176 11.57045 0.000000       11.57045 
1 1 1 0   13  1  o 410.2196 8.074775 4034.485       158.3635 0.000000       0.000000 4034.485       158.3635 ?        ?        410.2196 8.074775 0.000000       8.074775 
1 1 1 0   13  2  o 363.8560 14.57695 3200.132       253.0607 0.000000       0.000000 3200.132       253.0607 ?        ?        363.8560 14.57695 0.000000       14.57695 
1 1 1 0   13  3  o 340.2552 8.383165 2776.384       136.3707 0.000000       0.000000 2776.384       136.3707 ?        ?        340.2552 8.383165 0.000000       8.383165 
1 1 1 0   13  4  o 415.0267 9.572391 4134.965       189.9349 0.000000       0.000000 4134.965       189.9349 ?        ?        415.0267 9.572391 0.000000       9.572391 
1 1 1 0   13  5  o 172.6975 12.12097 721.3494       99.44092 0.000000       0.000000 721.3494       99.44092 ?        ?        172.6975 12.12097 0.000000       12.12097 
1 1 1 0   13  6  o 286.2825 9.229273 1969.306       126.1545 0.000000       0.000000 1969.306       126.1545 ?        ?        286.2825 9.229273 0.000000       9.229273 
1 1 1 0   13  7  o 79.49143 17.29105 159.1038       63.83847 0.000000       0.000000 159.1038       63.83847 ?        ?        79.49143 17.29105 0.000000       17.29105 
1 1 1 0   13  8  o 294.7401 12.92168 2098.854       181.6393 0.000000       0.000000 2098.854       181.6393 ?        ?        294.7401 12.92168 0.000000       12.92168 
1 1 1 0   13  9  o 209.5788 8.983990 1056.576       89.80803 878.2051       148.6152 1159.183       112.7169 189.5438 16.56639 219.2424 10.78677 -29.69859      19.76866 
1 1 1 0   13  10 o 130.0133 10.59733 409.3681       65.29994 261.0338       130.8594 458.5520       75.35214 100.6204 26.74611 137.4886 11.57086 -36.86821      29.14170 
1 1 1 0   13  11 o 218.2966 12.07393 1152.852       125.5189 1068.382       159.9837 1288.100       202.4379 209.1364 16.12508 228.9612 18.65513 -19.82477      24.65831 
1 1 1 0   13  12 o 203.5340 13.74086 1006.974       132.9249 1044.193       158.1858 917.5464       245.2002 206.6376 16.14011 189.4098 27.91347 17.22781       32.24383 
1 1 1 0   13  13 o 290.9127 14.05407 2055.499       194.8886 2450.203       277.6554 1672.192       273.6172 315.9170 18.46384 259.1688 22.29932 56.74820       28.95122 
1 1 1 0   13  14 o 101.3863 29.13157 268.0162       148.6711 169.3158       189.7000 425.1574       239.3606 89.02657 33.21801 125.5098 37.22168 -36.48319      49.88877 
1 1 1 0   13  15 o 151.2809 14.08241 559.9010       100.6823 440.8421       124.3114 786.9136       171.6544 132.3631 20.29022 177.5145 20.60871 -45.15146      28.92079 
1 1 1 0   13  16 o 220.5041 13.43324 1183.081       140.9420 1157.415       178.6532 1225.384       229.3590 216.8141 17.38061 221.2528 21.97301 -4.438690      28.01605 
1 1 1 0   13  17 o 186.6073 14.12661 850.8920       125.0941 821.4652       152.7752 910.7598       217.9105 182.1902 17.76499 189.0780 24.69585 -6.887894      30.42170 
1 1 1 0   13  18 o 284.5468 15.05480 1979.553       204.0746 2354.859       251.5022 1256.166       349.1677 309.4565 17.06548 215.9043 35.02626 93.55223       38.96241 
1 1 1 0   13  19 o 68.94268 26.28377 91.71915       120.2178 119.0038       154.6297 50.02679       191.1445 77.62181 29.75558 74.89184 31.48238 2.729973       43.31898 
1 1 1 0   13  20 o 162.1205 17.43726 654.3358       133.0303 678.7941       163.6003 606.6028       228.5490 163.5511 21.43858 148.9272 32.97094 14.62386       39.32805 
1 1 1 0   13  21 o 185.4979 18.98596 862.5030       166.0031 984.5956       185.5318 372.4084       371.7181 197.8775 19.88072 119.1059 46.01043 78.77168       50.12187 
1 1 1 0   13  22 o 214.2070 16.45377 1136.882       167.2128 1432.774       212.0031 649.8000       272.0046 239.4412 18.66716 150.2835 37.87688 89.15768       42.22702 
1 1 1 0   13  23 o 290.7891 16.01539 2088.115       221.7908 2386.429       291.6877 1679.248       341.4851 308.2965 19.89602 251.7892 28.89058 56.50739       35.07872 
1 1 1 0   13  24 f 71.94070 29.99967 60.99950       171.4620 -163.7612      259.1574 235.9783       228.6632 68.72598 32.06904 97.31524 36.43793 -28.58926      48.54015 
1 1 1 0   13  25 o 266.2810 17.04283 1771.697       215.8262 2148.694       285.2499 1266.878       330.0837 290.4461 20.67765 212.2650 33.64746 78.18114       39.49326 
1 1 1 0   13  26 o 51.74653 23.76365 -70.42783      134.0945 7.883265       161.5324 -244.0283      240.5047 63.97147 27.93757 60.70908 29.07098 3.262383       40.31910 
1 1 1 0   13  27 o 122.9909 30.74212 436.9339       180.2555 322.5154       199.1010 956.9517       424.4578 104.4157 34.40689 161.2910 49.93733 -56.87527      60.64298 
1 1 1 0   13  28 o 75.55962 32.10730 82.48147       202.3565 107.4226       321.5083 66.11967       260.4051 88.25456 38.94861 80.25614 35.24893 7.998421       52.53076 
1 1 1 0   13  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   13  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   13  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   13  32 o 146.9837 27.88444 670.7920       188.7805 480.6479       249.4535 925.6484       288.7992 108.3642 38.43262 155.9880 38.86802 -47.62382      54.66068 
1 1 1 0   13  33 o 109.5567 37.01254 510.8226       230.1534 374.7790       374.9776 593.0511       291.5261 86.88203 39.83948 108.5638 41.03640 -21.68174      57.19414 
1 1 1 0   14  0  o 273.6234 9.352365 1801.060       122.1643 0.000000       0.000000 1801.060       122.1643 ?        ?        273.6234 9.352365 0.000000       9.352365 
1 1 1 0   14  1  o 435.2591 8.209343 4546.749       170.8302 0.000000       0.000000 4546.749       170.8302 ?        ?        435.2591 8.209343 0.000000       8.209343 
1 1 1 0   14  2  o 138.5884 11.93702 466.3354       78.32177 0.000000       0.000000 466.3354       78.32177 ?        ?        138.5884 11.93702 0.000000       11.93702 
1 1 1 0   14  3  o 127.6025 11.38017 395.2669       68.69727 0.000000       0.000000 395.2669       68.69727 ?        ?        127.6025 11.38017 0.000000       11.38017 
1 1 1 0   14  4  o 290.5261 12.54876 2040.593       173.8877 0.000000       0.000000 2040.593       173.8877 ?        ?        290.5261 12.54876 0.000000       12.54876 
1 1 1 0   14  5  o 357.7690 8.562937 3073.601       146.4650 0.000000       0.000000 3073.601       146.4650 ?        ?        357.7690 8.562937 0.000000       8.562937 
1 1 1 0   14  6  o 234.7562 9.487618 1327.007       106.2642 0.000000       0.000000 1327.007       106.2642 ?        ?        234.7562 9.487618 0.000000       9.487618 
1 1 1 0   14  7  o 132.8842 12.06083 429.4947       75.78922 0.000000       0.000000 429.4947       75.78922 ?        ?        132.8842 12.06083 0.000000       12.06083 
1 1 1 0   14  8  o 401.4888 9.693465 3877.535       186.0634 0.000000       0.000000 3877.535       186.0634 ?        ?        401.4888 9.693465 0.000000       9.693465 
1 1 1 0   14  9  o 249.0782 9.566004 1494.583       113.7016 0.000000       0.000000 1494.583       113.7016 ?        ?        249.0782 9.566004 0.000000       9.566004 
1 1 1 0   14  10 o 80.84697 15.01170 163.6154       55.88765 264.0471       83.78698 83.11626       75.01304 102.5891 17.72385 60.81838 21.11304 41.77070       27.56620 
1 1 1 0   14  11 o 180.0597 9.384505 782.1035       80.50722 613.6586       135.3833 874.2568       100.1363 157.3076 18.34538 190.0741 11.06733 -32.76651      21.42519 
1 1 1 0   14  12 o 143.7353 18.19677 513.6219       122.2470 425.4276       140.7592 784.3248       246.6058 128.8836 23.71763 172.8608 30.97783 -43.97719      39.01476 
1 1 1 0   14  13 o 416.7299 9.974149 4183.696       198.7187 4107.036       248.1369 4320.781       331.8205 411.7530 12.62000 420.3616 16.54324 -8.608612      20.80729 
1 1 1 0   14  14 o 63.71185 23.95601 78.89111       99.05669 110.5482       107.7855 -93.15465      251.2736 70.58028 25.23841 73.44388 33.26251 -2.863594      41.75370 
1 1 1 0   14  15 o 170.4636 17.24000 719.0527       138.5711 1073.033       204.5435 418.7747       188.3900 207.0489 20.95155 124.7887 31.56125 82.26022       37.88245 
1 1 1 0   14  16 o 47.26970 21.11458 -33.78293      97.38892 26.57831       115.2064 -184.9218      182.2996 58.85358 24.57016 55.26506 26.13199 3.588512       35.86884 
1 1 1 0   14  17 o 455.6130 12.57592 5041.436       273.6708 5006.548       313.5015 5153.159       561.0176 452.8636 14.49852 449.0123 26.24871 3.851288       29.98670 
1 1 1 0   14  18 o 322.7296 16.36926 2564.167       251.7418 2801.783       325.8793 2212.520       396.4348 334.6958 20.46345 290.9766 28.87803 43.71921       35.39341 
1 1 1 0   14  19 o 114.1685 24.03456 341.7473       127.0312 462.9439       145.9538 -36.86244      257.9683 133.4762 23.74214 76.97333 34.37488 56.50285       41.77705 
1 1 1 0   14  20 o 217.8063 19.07177 1188.760       196.5939 1360.801       255.5887 939.5056       307.6435 230.4718 23.52571 182.7371 36.49208 47.73479       43.41809 
1 1 1 0   14  21 o 285.8111 17.54009 2029.523       238.5187 1991.693       316.1354 2079.516       363.4184 278.6394 23.96389 281.9602 27.30060 -3.320770      36.32617 
1 1 1 0   14  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   14  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   14  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   14  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   14  26 o 85.11787 31.81044 187.9813       174.1032 150.5382       238.4289 230.7516       254.8265 85.60898 35.51077 94.23627 37.57967 -8.627289      51.70345 
1 1 1 0   14  27 o 168.6857 19.02762 738.3192       150.7770 712.1821       180.1752 799.3909       275.4146 162.0750 23.97493 159.7114 36.82307 2.363571       43.94014 
1 1 1 0   14  28 o 58.45934 26.49869 -28.09154      159.8832 -27.36904      173.9559 -32.02280      405.7746 60.72788 27.57183 83.08428 39.19572 -22.35640      47.92192 
1 1 1 0   14  29 o 49.92737 24.29518 -227.0864      185.3086 -678.4662      303.1266 42.26218       234.1587 52.38913 26.38557 71.61106 32.30148 -19.22194      41.70832 
1 1 1 0   14  30 o 106.4992 30.01254 365.1277       159.3287 391.1188       200.9804 321.1629       261.3928 105.2634 34.56305 93.61204 37.80771 11.65136       51.22526 
1 1 1 0   14  31 o 77.86400 32.65346 189.7280       204.8661 506.5902       338.7158 6.948334       257.2552 100.7240 42.09574 67.80563 31.74120 32.91841       52.72149 
1 1 1 0   14  32 o 101.8765 31.90910 388.2955       172.7626 319.0860       220.5173 498.2841       277.9929 87.23203 34.90077 99.75990 39.42131 -12.52787      52.65077 
1 1 1 0   15  0  o 104.6065 14.30333 269.9174       69.66110 0.000000       0.000000 269.9174       69.66110 ?        ?        104.6065 14.30333 0.000000       14.30333 
1 1 1 0   15  1  o 77.32290 19.17220 152.1708       70.52182 0.000000       0.000000 152.1708       70.52182 ?        ?        77.32290 19.17220 0.000000       19.17220 
1 1 1 0   15  2  o 136.6793 13.47838 456.3747       86.92924 0.000000       0.000000 456.3747       86.92924 ?        ?        136.6793 13.47838 0.000000       13.47838 
1 1 1 0   15  3  o 231.6180 10.08484 1293.890       111.4057 0.000000       0.000000 1293.890       111.4057 ?        ?        231.6180 10.08484 0.000000       10.08484 
1 1 1 0   15  4  o 104.4240 15.19503 270.1427       73.63577 0.000000       0.000000 270.1427       73.63577 ?        ?        104.4240 15.19503 0.000000       15.19503 
1 1 1 0   15  5  o 147.4921 12.24155 529.0729       85.54350 0.000000       0.000000 529.0729       85.54350 ?        ?        147.4921 12.24155 0.000000       12.24155 
1 1 1 0   15  6  o 166.5534 10.71837 671.3312       84.89439 0.000000       0.000000 671.3312       84.89439 ?        ?        166.5534 10.71837 0.000000       10.71837 
1 1 1 0   15  7  o 352.6700 9.749015 2996.315       164.2180 0.000000       0.000000 2996.315       164.2180 ?        ?        352.6700 9.749015 0.000000       9.749015 
1 1 1 0   15  8  o 457.6373 9.962101 5044.154       217.9620 0.000000       0.000000 5044.154       217.9620 ?        ?        457.6373 9.962101 0.000000       9.962101 
1 1 1 0   15  9  o 408.8748 9.817883 4026.511       191.9184 0.000000       0.000000 4026.511       191.9184 ?        ?        408.8748 9.817883 0.000000       9.817883 
1 1 1 0   15  10 o 140.6567 12.90640 483.1697       85.82422 0.000000       0.000000 483.1697       85.82422 ?        ?        140.6567 12.90640 0.000000       12.90640 
1 1 1 0   15  11 o 91.41080 14.09452 207.5401       59.61906 150.2760       166.8897 215.9171       63.83102 83.66370 31.16876 93.09782 14.83887 -9.434113      34.52077 
1 1 1 0   15  12 o 202.4412 14.94178 1003.653       143.5945 0.000000       0.000000 1003.653       143.5945 ?        ?        202.4412 14.94178 0.000000       14.94178 
1 1 1 0   15  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   15  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   15  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   15  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   15  17 o 138.5232 23.35973 497.0332       149.2057 497.0332       149.2057 0.000000       0.000000 138.5232 23.35973 ?        ?        0.000000       23.35973 
1 1 1 0   15  18 o 336.9792 15.57250 2794.599       250.2039 2576.576       325.3942 3109.961       391.3483 319.4807 21.42769 349.1935 23.57996 -29.71283      31.86158 
1 1 1 0   15  19 o 244.9384 15.46106 1479.594       180.1287 1531.923       229.6539 1395.931       290.3802 246.9790 19.61024 230.9951 26.79018 15.98387       33.20053 
1 1 1 0   15  20 o 315.2737 15.13260 2449.029       227.4258 2464.131       285.4206 2422.765       376.3891 313.4774 19.13572 304.8548 26.07485 8.622589       32.34306 
1 1 1 0   15  21 o 140.5744 28.49845 539.2431       184.9655 555.5754       249.0222 519.1436       276.2534 137.2839 37.07666 130.8585 40.24695 6.425385       54.72198 
1 1 1 0   15  22 o 74.71137 33.94723 -50.59268      264.3412 -26.57426      310.1102 -114.4264      505.5556 81.47089 36.91956 94.44494 44.30283 -12.97405      57.66971 
1 1 1 0   15  23 o 225.6252 25.77007 1364.875       272.9993 1583.753       396.6666 1167.900       376.2970 230.7155 37.22869 192.1118 42.13252 38.60367       56.22388 
1 1 1 0   15  24 o 117.4194 43.61046 454.8026       326.2403 381.6784       396.6847 607.6283       573.4731 111.4284 45.97286 126.0758 53.82713 -14.64741      70.78746 
1 1 1 0   15  25 o 95.71387 32.54824 267.5672       178.0023 454.6171       244.4481 56.42968       259.7112 118.9369 38.04512 79.22634 34.98327 39.71054       51.68423 
1 1 1 0   15  26 o 52.14267 24.90056 -163.4165      173.8693 -75.43451      239.9827 -260.6253      252.2527 67.04406 31.14078 59.67025 28.87355 7.373814       42.46681 
1 1 1 0   15  27 o 120.4968 27.87281 433.0265       157.3746 410.3320       178.2257 513.3491       335.2964 113.7258 31.63235 112.4594 43.62867 1.266342       53.88939 
1 1 1 0   15  28 f 68.12495 31.59290 -20.91674      245.5166 -12.25808      283.4746 -46.90996      491.1555 71.98913 33.57449 82.71891 40.08912 -10.72978      52.29134 
1 1 1 0   15  29 o 168.0796 21.39163 790.2189       168.0073 638.1464       211.1408 1052.691       277.3884 138.0397 32.53003 176.3941 34.12647 -38.35442      47.14678 
1 1 1 0   15  30 o 82.01959 32.91388 243.1777       196.7341 711.9208       308.3516 -78.63039      255.4920 120.0687 42.71479 62.49947 29.93761 57.56922       52.16142 
1 1 1 0   16  0  o 122.4534 21.26173 380.8253       119.9608 0.000000       0.000000 380.8253       119.9608 ?        ?        122.4534 21.26173 0.000000       21.26173 
1 1 1 0   16  1  o 164.1604 20.76044 675.6022       159.2970 0.000000       0.000000 675.6022       159.2970 ?        ?        164.1604 20.76044 0.000000       20.76044 
1 1 1 0   16  2  o 126.1994 24.78928 411.3683       144.2264 0.000000       0.000000 411.3683       144.2264 ?        ?        126.1994 24.78928 0.000000       24.78928 
1 1 1 0   16  3  o 202.5816 19.85650 1020.756       189.8465 0.000000       0.000000 1020.756       189.8465 ?        ?        202.5816 19.85650 0.000000       19.85650 
1 1 1 0   16  4  o 120.4563 26.54020 379.3526       148.7104 0.000000       0.000000 379.3526       148.7104 ?        ?        120.4563 26.54020 0.000000       26.54020 
1 1 1 0   16  5  o 195.5476 11.13970 926.3749       103.7132 0.000000       0.000000 926.3749       103.7132 ?        ?        195.5476 11.13970 0.000000       11.13970 
1 1 1 0   16  6  o 116.6048 12.27538 332.6538       67.40677 0.000000       0.000000 332.6538       67.40677 ?        ?        116.6048 12.27538 0.000000       12.27538 
1 1 1 0   16  7  o 404.5356 15.47084 3998.945       298.6605 0.000000       0.000000 3998.945       298.6605 ?        ?        404.5356 15.47084 0.000000       15.47084 
1 1 1 0   16  8  o 313.0932 9.836620 2365.810       147.0580 0.000000       0.000000 2365.810       147.0580 ?        ?        313.0932 9.836620 0.000000       9.836620 
1 1 1 0   16  9  o 166.5403 11.63885 674.4186       92.08646 0.000000       0.000000 674.4186       92.08646 ?        ?        166.5403 11.63885 0.000000       11.63885 
1 1 1 0   16  10 o 66.85043 16.81655 113.8878       53.69026 0.000000       0.000000 113.8878       53.69026 ?        ?        66.85043 16.81655 0.000000       16.81655 
1 1 1 0   16  11 o 287.3258 14.14620 2017.093       193.7249 0.000000       0.000000 2017.093       193.7249 ?        ?        287.3258 14.14620 0.000000       14.14620 
1 1 1 0   16  12 o 239.8344 9.427524 1389.568       107.8874 1439.727       203.2170 1369.882       127.3103 240.9674 17.76468 237.6030 11.23922 3.364426       21.02151 
1 1 1 0   16  13 f 115.4935 12.16639 327.2392       66.17011 631.6573       183.5607 281.7730       70.93962 155.6519 25.55296 106.5409 14.28699 49.11100       29.27579 
1 1 1 0   16  14 o 92.29710 15.65158 214.3486       66.59947 72.91435       117.1041 281.9643       80.96895 65.27344 25.64956 105.8980 16.53270 -40.62453      30.51606 
1 1 1 0   16  15 o 147.8185 20.86269 556.4902       143.3426 350.6739       200.5383 771.5005       204.9685 112.6129 34.22484 171.9946 25.71483 -59.38178      42.80879 
1 1 1 0   16  16 o 198.7088 16.58831 979.7063       156.1532 1003.623       178.2382 900.7392       323.8733 200.0866 18.85493 176.5705 39.37035 23.51608       43.65241 
1 1 1 0   16  17 o 468.2138 18.79141 5471.905       419.7869 5935.167       583.1656 4973.700       604.7597 479.1957 25.54719 433.4048 29.35971 45.79095       38.91852 
1 1 1 0   16  18 o 166.7823 20.88081 711.8859       162.8581 930.3295       225.2351 472.5556       235.7573 187.9759 25.73771 127.3747 36.71108 60.60126       44.83451 
1 1 1 0   16  19 o 119.0167 22.61299 373.6958       123.9661 406.8679       147.6227 294.3515       228.3098 122.6190 25.98997 102.8017 36.73517 19.81727       44.99946 
1 1 1 0   16  20 o 90.03702 26.91616 221.5202       124.7742 160.2543       143.0020 416.9377       255.3962 80.19720 29.02064 117.0647 38.98301 -36.86745      48.59909 
1 1 1 0   16  21 o 164.5236 19.62597 697.4342       151.3313 765.8121       178.0840 519.7453       287.0763 170.7392 22.35267 127.0296 41.28258 43.70967       46.94564 
1 1 1 0   16  22 o 154.4662 21.45686 626.8385       154.1832 791.5262       180.7478 186.8149       295.4475 173.1938 22.34941 92.93358 39.10795 80.26019       45.04362 
1 1 1 0   16  23 o 178.0167 20.47194 828.7637       171.0640 837.5246       194.0280 798.1851       362.4914 176.6005 23.56861 148.5416 46.17451 28.05891       51.84173 
1 1 1 0   16  24 o 59.30529 26.22287 2.732582       146.4063 39.34109       151.4538 -519.1934      571.8652 63.69672 27.43623 80.96049 40.04249 -17.26377      48.54016 
1 1 1 0   16  25 o 139.8845 31.87933 609.9471       208.4362 634.8752       254.6254 559.3114       362.8985 135.4397 37.85996 115.5502 45.22824 19.88947       58.98280 
1 1 1 0   16  26 f 125.1262 33.43044 519.1406       203.7896 589.9310       251.6069 384.1317       347.4698 127.1065 38.27338 99.16734 42.10336 27.93916       56.89943 
1 1 1 0   16  27 o 178.0029 20.67538 872.3400       172.6800 971.7377       196.7240 538.6431       360.4503 185.6170 22.63586 106.9659 43.94509 78.65110       49.43231 
1 1 1 0   16  28 o 89.64080 30.59723 278.5682       157.3250 349.7498       163.2451 -649.7786      589.5378 100.2222 30.95872 69.83408 35.36262 30.38816       46.99955 
1 1 1 0   16  29 o 80.43224 32.31869 241.7875       189.9426 575.5125       270.0383 -85.01445      267.2227 108.9079 39.80968 62.04673 29.94863 46.86119       49.81698 
1 1 1 0   17  0  o 457.3393 10.20377 5048.199       223.1042 0.000000       0.000000 5048.199       223.1042 ?        ?        457.3393 10.20377 0.000000       10.20377 
1 1 1 0   17  1  o 271.1883 9.426590 1774.697       122.0318 0.000000       0.000000 1774.697       122.0318 ?        ?        271.1883 9.426590 0.000000       9.426590 
1 1 1 0   17  2  o 207.6877 11.38880 1046.710       112.6501 0.000000       0.000000 1046.710       112.6501 ?        ?        207.6877 11.38880 0.000000       11.38880 
1 1 1 0   17  3  o 591.1051 11.69595 8461.090       330.5284 0.000000       0.000000 8461.090       330.5284 ?        ?        591.1051 11.69595 0.000000       11.69595 
1 1 1 0   17  4  o 394.2399 9.069342 3744.775       170.9404 0.000000       0.000000 3744.775       170.9404 ?        ?        394.2399 9.069342 0.000000       9.069342 
1 1 1 0   17  5  o 217.5310 9.745855 1143.854       101.0986 0.000000       0.000000 1143.854       101.0986 ?        ?        217.5310 9.745855 0.000000       9.745855 
1 1 1 0   17  6  o 416.2911 9.764784 4181.722       194.3426 0.000000       0.000000 4181.722       194.3426 ?        ?        416.2911 9.764784 0.000000       9.764784 
1 1 1 0   17  7  o 221.9072 11.79807 1196.824       124.7174 0.000000       0.000000 1196.824       124.7174 ?        ?        221.9072 11.79807 0.000000       11.79807 
1 1 1 0   17  8  o 108.3117 12.79177 288.8548       64.96258 0.000000       0.000000 288.8548       64.96258 ?        ?        108.3117 12.79177 0.000000       12.79177 
1 1 1 0   17  9  f 140.8288 12.91534 486.1022       85.98985 0.000000       0.000000 486.1022       85.98985 ?        ?        140.8288 12.91534 0.000000       12.91534 
1 1 1 0   17  10 o 143.1385 13.44474 503.1996       90.92903 0.000000       0.000000 503.1996       90.92903 ?        ?        143.1385 13.44474 0.000000       13.44474 
1 1 1 0   17  11 o 141.3519 13.85540 491.8664       92.43158 0.000000       0.000000 491.8664       92.43158 ?        ?        141.3519 13.85540 0.000000       13.85540 
1 1 1 0   17  12 o 117.5444 15.93834 345.2495       87.26263 0.000000       0.000000 345.2495       87.26263 ?        ?        117.5444 15.93834 0.000000       15.93834 
1 1 1 0   17  13 o 170.8659 12.65915 714.6301       102.6769 0.000000       0.000000 714.6301       102.6769 ?        ?        170.8659 12.65915 0.000000       12.65915 
1 1 1 0   17  14 o 236.1752 9.559515 1350.692       107.7160 1489.104       203.2813 1296.656       127.0133 244.3981 17.51378 230.7137 11.55184 13.68433       20.98041 
1 1 1 0   17  15 o 160.6998 10.50731 629.1229       80.28355 705.0607       147.6549 597.2502       95.65950 166.8629 18.83779 155.7966 12.96011 11.06627       22.86541 
1 1 1 0   17  16 o 116.2906 12.65172 334.4807       69.20748 543.4288       202.0918 306.7206       73.66151 139.0300 31.17521 110.8106 14.23261 28.21942       34.27042 
1 1 1 0   17  17 o 139.5053 20.95407 505.4935       135.4402 513.4625       147.4653 462.5231       342.4297 139.5941 22.88859 121.0993 44.73405 18.49488       50.24960 
1 1 1 0   17  18 o 66.68961 25.15128 97.11075       109.3701 142.3805       126.6540 -35.63064      216.8793 75.89047 27.33150 68.90154 31.08238 6.988930       41.38992 
1 1 1 0   17  19 o 67.21095 29.77961 -1.485901      189.7625 -176.5492      218.5536 534.7552       382.5080 60.21448 28.51397 124.5239 47.01989 -64.30943      54.99015 
1 1 1 0   17  20 o 115.8206 30.37965 389.4323       170.2740 539.1631       230.6572 210.1148       252.4193 132.5784 35.63027 92.02583 37.15808 40.55260       51.48047 
1 1 1 0   17  21 o 251.5479 19.35983 1639.089       231.0356 1737.277       263.3918 1311.479       481.1180 256.5443 21.67760 181.3478 52.49682 75.19650       56.79643 
1 1 1 0   17  22 o 127.0469 31.41554 493.0552       189.7332 687.6694       248.0562 218.6733       294.5376 146.0972 35.79908 91.05669 38.71587 55.04053       52.73038 
1 1 1 0   17  23 o 89.76749 33.47182 251.8443       192.5456 327.1342       251.5400 145.3009       299.2280 97.79232 37.82953 83.95610 37.28636 13.83622       53.11634 
1 1 1 0   17  24 o 95.59035 36.93782 320.5874       239.6303 748.9899       303.0775 -393.8373      391.3866 138.2020 42.08931 67.54269 33.35459 70.65926       53.70325 
1 1 1 0   17  25 o 77.89443 31.72119 173.4769       185.7703 83.13531       307.2618 225.5267       233.2246 77.48543 35.72446 84.35048 35.06621 -6.865051      50.05873 
1 1 1 0   17  26 o 59.55350 26.22474 42.41285       145.0092 -35.11987      185.4596 164.3741       232.6044 58.43931 27.22222 76.42893 33.44809 -17.98962      43.12568 
1 1 1 0   17  27 o 58.79978 27.22886 -2.686287      181.3825 -12.06773      189.9915 93.85088       609.4620 59.08743 27.53372 79.00808 39.44738 -19.92065      48.10615 
1 1 1 0   18  0  o 120.3815 14.82692 359.5005       83.53251 0.000000       0.000000 359.5005       83.53251 ?        ?        120.3815 14.82692 0.000000       14.82692 
1 1 1 0   18  1  o 222.1624 12.73949 1203.989       134.7431 0.000000       0.000000 1203.989       134.7431 ?        ?        222.1624 12.73949 0.000000       12.73949 
1 1 1 0   18  2  o 173.0573 13.42277 733.8090       110.1880 0.000000       0.000000 733.8090       110.1880 ?        ?        173.0573 13.42277 0.000000       13.42277 
1 1 1 0   18  3  o 146.1281 12.80663 523.2052       88.56639 0.000000       0.000000 523.2052       88.56639 ?        ?        146.1281 12.80663 0.000000       12.80663 
1 1 1 0   18  4  o 173.4325 11.14809 731.6367       91.94606 0.000000       0.000000 731.6367       91.94606 ?        ?        173.4325 11.14809 0.000000       11.14809 
1 1 1 0   18  5  o 115.9841 12.72364 331.0337       69.39660 0.000000       0.000000 331.0337       69.39660 ?        ?        115.9841 12.72364 0.000000       12.72364 
1 1 1 0   18  6  o 223.7053 12.76324 1222.131       135.9376 0.000000       0.000000 1222.131       135.9376 ?        ?        223.7053 12.76324 0.000000       12.76324 
1 1 1 0   18  7  o 144.5885 12.16414 511.7747       83.30700 0.000000       0.000000 511.7747       83.30700 ?        ?        144.5885 12.16414 0.000000       12.16414 
1 1 1 0   18  8  o 336.8278 14.89259 2790.095       239.2277 0.000000       0.000000 2790.095       239.2277 ?        ?        336.8278 14.89259 0.000000       14.89259 
1 1 1 0   18  9  o 180.4359 10.97746 793.0049       94.24829 0.000000       0.000000 793.0049       94.24829 ?        ?        180.4359 10.97746 0.000000       10.97746 
1 1 1 0   18  10 o 136.9180 15.07767 466.8214       97.06484 0.000000       0.000000 466.8214       97.06484 ?        ?        136.9180 15.07767 0.000000       15.07767 
1 1 1 0   18  11 o 94.59653 15.57145 226.3358       67.97451 0.000000       0.000000 226.3358       67.97451 ?        ?        94.59653 15.57145 0.000000       15.57145 
1 1 1 0   18  12 o 102.5913 18.49740 270.9854       87.38853 0.000000       0.000000 270.9854       87.38853 ?        ?        102.5913 18.49740 0.000000       18.49740 
1 1 1 0   18  13 o 124.6331 14.67271 388.2047       85.75507 0.000000       0.000000 388.2047       85.75507 ?        ?        124.6331 14.67271 0.000000       14.67271 
1 1 1 0   18  14 o 49.15625 20.34753 24.26646       78.05526 0.000000       0.000000 24.26646       78.05526 ?        ?        49.15625 20.34753 0.000000       20.34753 
1 1 1 0   18  15 o 177.0730 10.58767 766.1840       89.22224 738.5177       161.2571 778.3903       107.1112 169.0240 20.36537 177.6466 12.69526 -8.622543      23.99829 
1 1 1 0   18  16 o 106.2330 14.50992 284.2374       71.77012 115.3017       205.1722 307.7909       76.61013 79.81565 33.00917 110.4744 14.88320 -30.65875      36.20932 
1 1 1 0   18  17 o 83.28625 20.16035 184.9065       79.40403 314.7135       205.5475 162.1373       86.08686 102.7291 34.97535 77.64452 22.12226 25.08460       41.38441 
1 1 1 0   18  18 o 55.28864 24.01561 9.263764       118.0065 56.62955       124.3338 -420.9016      374.6920 62.10255 25.69112 69.31559 33.90701 -7.213036      42.54079 
1 1 1 0   18  19 o 191.8804 16.67339 943.5508       151.4377 783.5956       181.8221 1305.821       273.6302 169.7909 22.98878 214.7749 27.26183 -44.98402      35.66079 
1 1 1 0   18  20 o 49.68073 22.77689 -48.21901      122.4916 -40.33431      128.3469 -128.7669      410.2228 51.55194 23.51331 78.94305 37.84622 -27.39111      44.55572 
1 1 1 0   18  21 o 226.4043 16.67440 1328.999       179.2196 1099.466       211.9131 1905.542       335.8544 199.5180 22.61442 254.3032 28.09196 -54.78523      36.06342 
1 1 1 0   18  22 o 56.99699 25.50340 1.202946       142.7341 37.18306       164.4834 -108.5021      287.2130 63.29459 27.89891 67.71894 32.24532 -4.424351      42.63930 
1 1 1 0   18  23 o 77.41649 30.42185 179.7575       164.7368 98.44544       174.6090 838.4468       496.9694 68.99517 29.58473 114.8633 49.58870 -45.86817      57.74336 
1 1 1 0   18  24 o 72.60664 28.48015 159.1622       144.1552 122.2021       180.7553 223.7497       238.9452 70.05332 30.07079 80.86197 34.63954 -10.80865      45.87102 
1 1 1 0   18  25 o 109.6986 29.39589 413.7653       157.2800 343.1900       198.8242 531.7737       257.0983 92.25079 34.08518 106.8688 38.87776 -14.61803      51.70377 
1 1 1 0   19  0  o 76.18614 20.81505 151.9577       77.95244 0.000000       0.000000 151.9577       77.95244 ?        ?        76.18614 20.81505 0.000000       20.81505 
1 1 1 0   19  1  f 74.16108 18.43410 142.8517       65.07701 0.000000       0.000000 142.8517       65.07701 ?        ?        74.16108 18.43410 0.000000       18.43410 
1 1 1 0   19  2  o 158.9894 12.55279 621.1431       94.64141 0.000000       0.000000 621.1431       94.64141 ?        ?        158.9894 12.55279 0.000000       12.55279 
1 1 1 0   19  3  o 316.3901 10.13840 2430.029       153.1580 0.000000       0.000000 2430.029       153.1580 ?        ?        316.3901 10.13840 0.000000       10.13840 
1 1 1 0   19  4  o 309.5829 12.90164 2349.330       190.5362 0.000000       0.000000 2349.330       190.5362 ?        ?        309.5829 12.90164 0.000000       12.90164 
1 1 1 0   19  5  o 165.4033 11.91307 670.6821       93.57437 0.000000       0.000000 670.6821       93.57437 ?        ?        165.4033 11.91307 0.000000       11.91307 
1 1 1 0   19  6  o 68.30492 16.53127 120.4325       53.39656 0.000000       0.000000 120.4325       53.39656 ?        ?        68.30492 16.53127 0.000000       16.53127 
1 1 1 0   19  7  o 84.89381 15.51143 183.5012       60.63673 0.000000       0.000000 183.5012       60.63673 ?        ?        84.89381 15.51143 0.000000       15.51143 
1 1 1 0   19  8  o 203.7962 10.76631 1013.226       104.5268 0.000000       0.000000 1013.226       104.5268 ?        ?        203.7962 10.76631 0.000000       10.76631 
1 1 1 0   19  9  o 176.9619 12.87271 771.9056       108.1628 0.000000       0.000000 771.9056       108.1628 ?        ?        176.9619 12.87271 0.000000       12.87271 
1 1 1 0   19  10 o 271.3475 10.39524 1793.486       134.6062 0.000000       0.000000 1793.486       134.6062 ?        ?        271.3475 10.39524 0.000000       10.39524 
1 1 1 0   19  11 o 144.6594 14.07576 521.3200       96.11848 0.000000       0.000000 521.3200       96.11848 ?        ?        144.6594 14.07576 0.000000       14.07576 
1 1 1 0   19  12 o 74.14632 22.42652 145.9247       86.24969 0.000000       0.000000 145.9247       86.24969 ?        ?        74.14632 22.42652 0.000000       22.42652 
1 1 1 0   19  13 o 51.49971 18.21569 61.01212       56.00581 0.000000       0.000000 61.01212       56.00581 ?        ?        51.49971 18.21569 0.000000       18.21569 
1 1 1 0   19  14 o 85.38358 17.02274 190.2629       67.04909 0.000000       0.000000 190.2629       67.04909 ?        ?        85.38358 17.02274 0.000000       17.02274 
1 1 1 0   19  15 o 70.33622 23.45037 131.5933       92.41406 0.000000       0.000000 131.5933       92.41406 ?        ?        70.33622 23.45037 0.000000       23.45037 
1 1 1 0   19  16 o 92.33465 16.59579 222.9821       70.56782 0.000000       0.000000 222.9821       70.56782 ?        ?        92.33465 16.59579 0.000000       16.59579 
1 1 1 0   19  17 o 165.2533 13.20494 687.1144       103.4592 585.5715       224.8695 714.3806       116.5246 133.7031 34.83474 167.5381 14.69645 -33.83493      37.80799 
1 1 1 0   19  18 o 137.1875 14.26470 480.1784       92.19445 667.8300       225.7270 442.6072       101.0031 143.9614 33.43801 130.2465 16.59683 13.71486       37.33035 
1 1 1 0   19  19 o 167.0639 12.06171 699.9413       95.68990 642.0070       171.3954 726.1768       115.3391 149.4191 24.86658 168.4921 14.45784 -19.07297      28.76414 
1 1 1 0   19  20 o 170.2485 18.13079 775.7112       145.3059 741.4531       175.1761 851.2704       260.1581 160.9724 23.45109 156.7483 35.53799 4.224014       42.57819 
1 1 1 0   19  21 o 114.0033 27.56805 411.8627       148.5917 450.0792       157.2355 92.66653       454.4165 118.7622 28.12871 80.56800 38.92915 38.19421       48.02815 
1 1 1 0   19  22 o 75.26400 27.74216 182.7865       131.5744 141.5260       145.5391 367.3665       307.8261 69.65886 28.18338 89.30199 38.78880 -19.64314      47.94658 
1 1 1 0   20  0  o 134.1907 15.02666 453.7810       94.75002 0.000000       0.000000 453.7810       94.75002 ?        ?        134.1907 15.02666 0.000000       15.02666 
1 1 1 0   20  1  o 42.38400 17.22218 22.15404       54.61609 0.000000       0.000000 22.15404       54.61609 ?        ?        42.38400 17.22218 0.000000       17.22218 
1 1 1 0   20  2  o 307.5074 10.49643 2310.038       154.0879 0.000000       0.000000 2310.038       154.0879 ?        ?        307.5074 10.49643 0.000000       10.49643 
1 1 1 0   20  3  o 56.41074 18.79699 78.59560       59.37814 0.000000       0.000000 78.59560       59.37814 ?        ?        56.41074 18.79699 0.000000       18.79699 
1 1 1 0   20  4  o 202.8423 11.38509 1010.944       109.9655 0.000000       0.000000 1010.944       109.9655 ?        ?        202.8423 11.38509 0.000000       11.38509 
1 1 1 0   20  5  o 221.1287 12.19936 1206.209       128.4708 0.000000       0.000000 1206.209       128.4708 ?        ?        221.1287 12.19936 0.000000       12.19936 
1 1 1 0   20  6  o 215.1694 13.18526 1149.099       134.9855 0.000000       0.000000 1149.099       134.9855 ?        ?        215.1694 13.18526 0.000000       13.18526 
1 1 1 0   20  7  o 76.37975 20.19069 156.5502       74.83555 0.000000       0.000000 156.5502       74.83555 ?        ?        76.37975 20.19069 0.000000       20.19069 
1 1 1 0   20  8  o 73.81694 16.95673 143.1958       58.58105 0.000000       0.000000 143.1958       58.58105 ?        ?        73.81694 16.95673 0.000000       16.95673 
1 1 1 0   20  9  o 95.78439 18.04384 241.3621       79.59843 0.000000       0.000000 241.3621       79.59843 ?        ?        95.78439 18.04384 0.000000       18.04384 
1 1 1 0   20  10 o 101.5795 17.38142 269.8541       81.37857 0.000000       0.000000 269.8541       81.37857 ?        ?        101.5795 17.38142 0.000000       17.38142 
1 1 1 0   20  11 o 85.59935 15.99691 191.0910       63.05936 0.000000       0.000000 191.0910       63.05936 ?        ?        85.59935 15.99691 0.000000       15.99691 
1 1 1 0   20  12 o 112.1590 17.95620 331.5726       93.03774 0.000000       0.000000 331.5726       93.03774 ?        ?        112.1590 17.95620 0.000000       17.95620 
1 1 1 0   20  13 o 42.84823 17.42873 25.09998       56.00186 0.000000       0.000000 25.09998       56.00186 ?        ?        42.84823 17.42873 0.000000       17.42873 
1 1 1 0   20  14 o 104.5847 16.06776 285.3615       77.77412 0.000000       0.000000 285.3615       77.77412 ?        ?        104.5847 16.06776 0.000000       16.06776 
1 1 1 0   20  15 o 147.6735 16.10469 566.5854       111.8603 0.000000       0.000000 566.5854       111.8603 ?        ?        147.6735 16.10469 0.000000       16.10469 
1 1 1 0   20  16 o 70.80110 18.52424 137.9224       63.41330 0.000000       0.000000 137.9224       63.41330 ?        ?        70.80110 18.52424 0.000000       18.52424 
1 1 1 0   20  17 o 47.00327 18.00625 47.18936       56.59893 0.000000       0.000000 47.18936       56.59893 ?        ?        47.00327 18.00625 0.000000       18.00625 
1 1 1 0   20  18 o 81.05254 18.04045 182.2328       68.10777 0.000000       0.000000 182.2328       68.10777 ?        ?        81.05254 18.04045 0.000000       18.04045 
1 1 1 0   20  19 o 143.4373 13.76139 534.8364       93.21346 578.4318       160.9783 512.8461       114.3307 137.0657 25.50412 136.7891 17.91244 0.2766113      31.16594 
1 1 1 0   21  0  o 73.25021 22.78500 148.1412       88.24950 0.000000       0.000000 148.1412       88.24950 ?        ?        73.25021 22.78500 0.000000       22.78500 
1 1 1 0   21  1  o 98.28467 17.03591 253.4512       77.15017 0.000000       0.000000 253.4512       77.15017 ?        ?        98.28467 17.03591 0.000000       17.03591 
1 1 1 0   21  2  o 83.36215 22.23808 193.5792       90.26217 0.000000       0.000000 193.5792       90.26217 ?        ?        83.36215 22.23808 0.000000       22.23808 
1 1 1 0   21  3  o 82.85812 18.58030 184.4433       71.78285 0.000000       0.000000 184.4433       71.78285 ?        ?        82.85812 18.58030 0.000000       18.58030 
1 1 1 0   21  4  o 308.0751 10.56694 2336.772       155.4070 0.000000       0.000000 2336.772       155.4070 ?        ?        308.0751 10.56694 0.000000       10.56694 
1 1 1 0   21  5  o 39.83656 16.79479 11.12704       54.64818 0.000000       0.000000 11.12704       54.64818 ?        ?        39.83656 16.79479 0.000000       16.79479 
1 1 1 0   21  6  o 116.1669 16.93963 352.8537       91.31158 0.000000       0.000000 352.8537       91.31158 ?        ?        116.1669 16.93963 0.000000       16.93963 
1 1 1 0   21  7  o 86.97822 17.66066 202.0120       70.92841 0.000000       0.000000 202.0120       70.92841 ?        ?        86.97822 17.66066 0.000000       17.66066 
1 1 1 0   21  8  o 107.7635 14.04753 297.3112       70.65250 0.000000       0.000000 297.3112       70.65250 ?        ?        107.7635 14.04753 0.000000       14.04753 
1 1 1 0   21  9  o 47.29297 19.91797 23.14288       76.73715 0.000000       0.000000 23.14288       76.73715 ?        ?        47.29297 19.91797 0.000000       19.91797 
1 1 1 0   21  10 o 53.40550 17.48370 74.00780       51.44389 0.000000       0.000000 74.00780       51.44389 ?        ?        53.40550 17.48370 0.000000       17.48370 
1 1 1 0   21  11 o 108.6021 18.86035 321.2449       94.37473 0.000000       0.000000 321.2449       94.37473 ?        ?        108.6021 18.86035 0.000000       18.86035 
1 1 1 0   21  12 o 151.2376 14.65607 592.2318       104.6439 0.000000       0.000000 592.2318       104.6439 ?        ?        151.2376 14.65607 0.000000       14.65607 
1 1 1 0   21  13 o 118.0324 16.02915 369.4711       88.11714 0.000000       0.000000 369.4711       88.11714 ?        ?        118.0324 16.02915 0.000000       16.02915 
1 1 1 0   21  14 o 35.97401 17.54482 -142.5937      98.16769 0.000000       0.000000 -142.5937      98.16769 ?        ?        35.97401 17.54482 0.000000       17.54482 
1 1 1 1   -21 0  o 70.40405 24.61386 139.3593       102.0483 139.3593       102.0483 0.000000       0.000000 70.40405 24.61386 ?        ?        0.000000       24.61386 
1 1 1 1   -21 1  o 112.6220 15.37186 330.7329       80.60918 330.7329       80.60918 0.000000       0.000000 112.6220 15.37186 ?        ?        0.000000       15.37186 
1 1 1 1   -21 2  o 79.95696 25.72317 190.6004       111.6323 190.6004       111.6323 0.000000       0.000000 79.95696 25.72317 ?        ?        0.000000       25.72317 
1 1 1 1   -21 3  o 45.18197 19.59255 7.938112       78.27032 7.938112       78.27032 0.000000       0.000000 45.18197 19.59255 ?        ?        0.000000       19.59255 
1 1 1 1   -20 0  o 110.0018 20.08065 323.0573       101.7153 323.0573       101.7153 0.000000       0.000000 110.0018 20.08065 ?        ?        0.000000       20.08065 
1 1 1 1   -20 1  o 192.7087 12.75136 924.2185       116.8200 924.2185       116.8200 0.000000       0.000000 192.7087 12.75136 ?        ?        0.000000       12.75136 
1 1 1 1   -20 2  o 100.7707 22.61586 279.5341       106.2752 279.5341       106.2752 0.000000       0.000000 100.7707 22.61586 ?        ?        0.000000       22.61586 
1 1 1 1   -20 3  o 131.9222 13.90810 438.7160       86.40060 438.7160       86.40060 0.000000       0.000000 131.9222 13.90810 ?        ?        0.000000       13.90810 
1 1 1 1   -20 4  o 76.59371 25.38160 161.5572       108.2999 161.5572       108.2999 0.000000       0.000000 76.59371 25.38160 ?        ?        0.000000       25.38160 
1 1 1 1   -20 5  o 222.7145 12.80958 1236.541       135.8175 1236.541       135.8175 0.000000       0.000000 222.7145 12.80958 ?        ?        0.000000       12.80958 
1 1 1 1   -20 6  o 68.07000 23.29250 123.1149       91.18461 123.1149       91.18461 0.000000       0.000000 68.07000 23.29250 ?        ?        0.000000       23.29250 
1 1 1 1   -20 7  o 48.68943 17.01158 56.72098       48.74107 105.0547       86.18111 33.98988       59.10133 63.87045 22.59572 45.39740 18.09983 18.47305       28.95118 
1 1 1 1   -20 8  o 108.5010 15.46405 304.9173       77.94917 336.3627       117.8343 280.4496       103.9417 109.1322 23.29394 100.0446 22.30103 9.087624       32.24816 
1 1 1 1   -20 9  o 43.98771 18.21863 23.10386       62.62638 -7.617988      96.66477 45.32678       82.21389 47.76601 21.20431 52.00806 21.13106 -4.242050      29.93567 
1 1 1 1   -19 0  o 38.82166 18.10242 -68.10466      82.34686 -68.10466      82.34686 0.000000       0.000000 38.82166 18.10242 ?        ?        0.000000       18.10242 
1 1 1 1   -19 1  o 86.23063 16.01944 190.2255       63.61104 190.2255       63.61104 0.000000       0.000000 86.23063 16.01944 ?        ?        0.000000       16.01944 
1 1 1 1   -19 2  o 121.2283 18.38992 377.4149       103.2430 377.4149       103.2430 0.000000       0.000000 121.2283 18.38992 ?        ?        0.000000       18.38992 
1 1 1 1   -19 3  o 87.74328 16.47294 197.8390       66.56534 197.8390       66.56534 0.000000       0.000000 87.74328 16.47294 ?        ?        0.000000       16.47294 
1 1 1 1   -19 4  o 59.58847 20.29156 86.62392       69.18655 86.62392       69.18655 0.000000       0.000000 59.58847 20.29156 ?        ?        0.000000       20.29156 
1 1 1 1   -19 5  o 92.70667 20.29864 228.0763       87.46857 228.0763       87.46857 0.000000       0.000000 92.70667 20.29864 ?        ?        0.000000       20.29864 
1 1 1 1   -19 6  o 126.5233 11.00871 394.1887       65.92868 380.6898       97.07037 405.7477       89.82505 121.8654 17.13334 126.7892 15.11594 -4.923744      22.84826 
1 1 1 1   -19 7  o 153.1720 10.99498 576.9918       79.98035 465.6961       113.1077 688.2939       113.1109 134.3368 18.06896 165.7587 14.41640 -31.42194      23.11536 
1 1 1 1   -19 8  o 67.54755 17.95727 120.3768       58.98328 83.49999       80.44001 163.2625       86.74643 59.85943 21.75080 77.58075 22.24009 -17.72132      31.10818 
1 1 1 1   -19 9  o 119.1180 13.53975 356.2202       75.74075 142.0489       178.9900 402.9347       83.59383 78.78784 31.46987 126.5449 14.05397 -47.75710      34.46544 
1 1 1 1   -19 10 o 105.9187 15.04483 286.0851       74.04425 366.1788       127.4391 245.2679       90.97557 115.1949 23.92300 95.48016 20.53974 19.71471       31.53080 
1 1 1 1   -19 11 o 141.9736 13.01121 504.5209       87.33383 626.8936       145.2113 435.1731       109.3137 153.8185 20.23660 129.0443 18.22531 24.77417       27.23384 
1 1 1 1   -19 12 o 124.5457 19.29976 412.5142       111.2030 79.13264       213.9820 535.8643       130.1596 74.08199 32.25715 141.9224 19.71462 -67.84041      37.80463 
1 1 1 1   -19 13 o 202.9329 11.84069 1025.196       114.3792 839.3883       173.3439 1168.477       152.2202 176.2934 20.97762 214.2082 14.95772 -37.91481      25.76419 
1 1 1 1   -19 14 o 110.5484 14.75915 314.8729       76.05776 359.2005       125.9284 289.4166       95.42980 111.9243 24.23684 102.8780 20.12345 9.046356       31.50203 
1 1 1 1   -18 0  o 153.7553 13.67531 582.8300       99.47768 582.8300       99.47768 0.000000       0.000000 153.7553 13.67531 ?        ?        0.000000       13.67531 
1 1 1 1   -18 1  o 223.4151 12.08503 1218.795       128.6023 1218.795       128.6023 0.000000       0.000000 223.4151 12.08503 ?        ?        0.000000       12.08503 
1 1 1 1   -18 2  o 132.6414 12.20325 432.0066       76.51939 432.0066       76.51939 0.000000       0.000000 132.6414 12.20325 ?        ?        0.000000       12.20325 
1 1 1 1   -18 3  o 67.87939 22.71277 113.4037       86.67973 113.4037       86.67973 0.000000       0.000000 67.87939 22.71277 ?        ?        0.000000       22.71277 
1 1 1 1   -18 4  o 214.7461 11.56099 1124.861       118.2563 1124.861       118.2563 0.000000       0.000000 214.7461 11.56099 ?        ?        0.000000       11.56099 
1 1 1 1   -18 5  o 69.66577 14.46292 123.3877       46.59275 168.3147       72.82941 92.25978       60.62174 80.43219 19.20532 60.64112 18.88800 19.79107       26.93697 
1 1 1 1   -18 6  o 65.52341 18.85920 110.3010       62.25779 39.75900       87.41198 182.9268       88.69363 54.09532 21.85787 83.29257 21.96326 -29.19725      30.98631 
1 1 1 1   -18 7  o 94.28526 12.04288 220.0011       53.04779 322.5911       94.66979 173.0459       64.04735 112.3919 18.24343 82.12003 16.87791 30.27191       24.85331 
1 1 1 1   -18 8  o 146.7448 12.03150 528.6252       83.66885 480.6251       158.9582 547.0201       98.40347 133.8860 25.76873 148.6103 14.01563 -14.72429      29.33369 
1 1 1 1   -18 9  o 218.0840 9.812845 1155.640       102.0500 1177.819       177.1078 1144.617       124.8614 216.5744 17.24735 216.1179 12.13323 0.4564514      21.08759 
1 1 1 1   -18 10 o 165.2557 13.15271 675.1855       103.0587 499.7874       200.7472 737.9559       120.0920 131.6027 32.17912 172.0993 14.73748 -40.49661      35.39334 
1 1 1 1   -18 11 o 346.0721 14.45452 2973.681       238.6279 2930.579       346.1111 3012.732       329.4470 335.8859 21.66899 342.3323 20.21938 -6.446411      29.63728 
1 1 1 1   -18 12 o 128.1358 15.92234 416.7265       95.44281 305.9831       190.9401 453.6129       110.1974 101.5836 33.70318 132.8374 17.79925 -31.25378      38.11453 
1 1 1 1   -18 13 o 115.7162 14.30304 337.5511       77.44543 323.5495       117.7250 348.2336       102.8289 108.9138 23.31258 115.2249 19.35170 -6.311142      30.29793 
1 1 1 1   -18 14 o 81.14759 18.33881 174.3203       69.46652 239.8958       110.3665 131.2973       89.39571 92.77529 24.51737 70.46751 23.04624 22.30778       33.64863 
1 1 1 1   -18 15 o 136.0179 17.79685 480.4774       112.9572 237.1554       266.9655 533.5377       124.6663 92.48473 37.88797 142.8559 18.70202 -50.37118      42.25238 
1 1 1 1   -18 16 o 197.1994 13.06672 973.7780       122.4966 1040.731       238.5386 949.7979       142.7580 190.9343 26.87424 192.9000 15.61293 -1.965683      31.08035 
1 1 1 1   -18 17 o 82.10549 23.14620 191.4991       94.74796 229.7985       212.2305 181.9657       105.8856 87.30463 34.46154 79.57585 24.98903 7.728783       42.56817 
1 1 1 1   -17 0  o 236.6027 10.41784 1354.943       117.5547 1354.943       117.5547 0.000000       0.000000 236.6027 10.41784 ?        ?        0.000000       10.41784 
1 1 1 1   -17 1  o 197.4230 11.50010 946.8202       108.0746 946.8202       108.0746 0.000000       0.000000 197.4230 11.50010 ?        ?        0.000000       11.50010 
1 1 1 1   -17 2  o 344.7404 13.92769 2899.379       229.0787 2899.379       229.0787 0.000000       0.000000 344.7404 13.92769 ?        ?        0.000000       13.92769 
1 1 1 1   -17 3  o 68.54737 18.16108 120.0823       60.45975 120.0823       60.45975 0.000000       0.000000 68.54737 18.16108 ?        ?        0.000000       18.16108 
1 1 1 1   -17 4  o 110.4352 12.78730 300.0669       66.26801 316.8442       93.92973 283.4406       93.50594 111.9980 18.16389 105.4641 19.25422 6.533821       26.46982 
1 1 1 1   -17 5  o 129.1193 10.95473 406.2628       66.98636 310.7623       90.12599 524.1350       100.1274 111.0357 17.56108 145.8070 14.55811 -34.77125      22.81074 
1 1 1 1   -17 6  o 129.6766 10.64889 409.5406       65.43871 380.1576       102.0869 430.0349       85.25855 122.8456 17.90873 132.1273 13.69536 -9.281769      22.54519 
1 1 1 1   -17 7  o 198.1666 9.703000 950.9955       91.64790 1087.680       156.5155 879.6777       113.0569 209.8378 15.71563 189.7497 12.53275 20.08812       20.10102 
1 1 1 1   -17 8  o 91.59698 12.47201 207.7386       53.19939 201.2855       95.20929 210.6680       64.14762 87.55330 22.59422 91.52615 15.19218 -3.972855      27.22685 
1 1 1 1   -17 9  o 110.0260 13.76388 300.2491       70.82140 361.4737       103.0015 245.3505       97.53508 119.2342 18.68213 96.88847 21.60686 22.34576       28.56359 
1 1 1 1   -17 10 o 54.35027 21.16310 50.78450       79.12030 5.845977       175.7348 62.20957       88.60901 67.17788 29.24197 58.25557 22.47470 8.922306       36.88095 
1 1 1 1   -17 11 o 49.91082 17.37851 56.38348       50.84204 116.5053       108.0263 39.27683       57.62297 70.65143 25.26626 47.20724 18.14701 23.44419       31.10784 
1 1 1 1   -17 12 o 108.8500 13.50256 294.1804       68.76151 521.3080       179.6564 255.1982       74.42877 138.6559 28.06592 100.5005 16.02848 38.15534       32.32040 
1 1 1 1   -17 13 f 64.45049 19.27093 106.3703       63.95463 111.8571       100.4220 102.6265       82.95234 68.69111 24.38257 65.02014 22.21705 3.670967       32.98647 
1 1 1 1   -17 14 o 58.34523 19.68423 82.64106       65.09617 -61.46230      102.8269 179.0193       84.09290 45.15131 20.76224 82.09811 21.25869 -36.94679      29.71536 
1 1 1 1   -17 15 o 223.4784 10.69714 1220.682       113.9590 1091.708       213.2628 1272.228       134.8216 204.0726 22.21683 227.2780 12.45538 -23.20540      25.47006 
1 1 1 1   -17 16 o 90.38711 18.28229 214.1027       76.28591 72.51395       126.2856 295.4554       95.72501 64.82698 26.24417 105.9580 19.61895 -41.13098      32.76675 
1 1 1 1   -17 17 o 37.88193 17.60916 -57.98981      76.96643 24.31206       200.6899 -72.18211      83.33876 69.96693 30.82933 38.42495 18.01276 31.54199       35.70584 
1 1 1 1   -17 18 o 71.70966 23.19644 138.1116       90.69830 72.92647       318.2352 143.8745       94.62265 83.95620 37.78199 73.02014 23.69874 10.93606       44.59943 
1 1 1 1   -17 19 o 121.2734 14.96964 376.0487       84.95275 570.4153       288.8203 357.6401       88.88472 124.5404 41.45504 117.5687 16.24730 6.971687       44.52522 
1 1 1 1   -17 20 o 72.78410 18.48055 143.6131       64.41396 248.4383       183.5842 128.8964       68.78712 89.30140 32.79466 68.69779 19.83899 20.60361       38.32852 
1 1 1 1   -16 0  o 258.8492 9.313760 1616.111       115.0725 1616.111       115.0725 0.000000       0.000000 258.8492 9.313760 ?        ?        0.000000       9.313760 
1 1 1 1   -16 1  o 71.46132 18.16818 130.4013       62.19828 130.4013       62.19828 0.000000       0.000000 71.46132 18.16818 ?        ?        0.000000       18.16818 
1 1 1 1   -16 2  f 49.07676 18.63950 43.40014       60.31697 43.40014       60.31697 0.000000       0.000000 49.07676 18.63950 ?        ?        0.000000       18.63950 
1 1 1 1   -16 3  o 108.6984 10.33653 287.6301       53.07057 215.7524       65.16755 429.1660       91.44666 92.91906 15.19425 131.9407 14.74912 -39.02164      21.17550 
1 1 1 1   -16 4  o 407.0059 10.15233 3996.604       197.5490 3993.632       224.2344 4006.907       417.5375 406.1434 11.55997 400.3443 21.89830 5.799164       24.76224 
1 1 1 1   -16 5  o 87.98616 11.44378 190.2675       46.99895 252.1847       76.04936 152.0062       59.78191 100.2892 16.42947 77.36938 16.65530 22.91986       23.39501 
1 1 1 1   -16 6  o 176.6369 9.833104 754.5970       82.71094 857.1381       136.9114 695.6659       103.7917 186.7559 15.47280 168.8460 12.95671 17.90987       20.18128 
1 1 1 1   -16 7  o 165.5876 11.49352 666.2789       90.42437 506.0869       143.5002 771.7756       116.4532 141.0164 22.00315 177.6572 13.81935 -36.64073      25.98293 
1 1 1 1   -16 8  o 251.1010 9.809731 1522.637       117.5378 1636.505       205.2301 1467.058       143.3814 257.8891 16.73600 245.7747 12.24098 12.11447       20.73488 
1 1 1 1   -16 9  o 207.1285 11.55122 1041.353       113.9338 891.9692       166.0249 1174.322       156.6380 189.3372 18.58026 218.8648 15.06152 -29.52756      23.91810 
1 1 1 1   -16 10 o 205.5156 10.71667 1023.615       104.9325 858.4604       193.0768 1092.843       125.0052 183.9017 22.42326 211.8894 12.39398 -27.98764      25.62056 
1 1 1 1   -16 11 o 258.3450 11.78338 1621.876       145.1555 1768.584       217.3881 1503.837       194.9946 267.4394 17.09153 246.7555 16.62608 20.68390       23.84422 
1 1 1 1   -16 12 o 61.65752 17.00739 96.76948       51.75879 22.16214       167.1620 104.6807       54.43387 67.67912 28.98217 64.02307 17.35338 3.656044       33.78026 
1 1 1 1   -16 13 o 188.3754 10.48685 861.7407       94.07190 804.8059       154.8626 895.0355       118.4255 179.1664 18.33770 191.1874 13.03415 -12.02095      22.49801 
1 1 1 1   -16 14 o 117.8091 15.37738 346.6518       84.54504 335.1987       168.0679 350.5319       97.82333 110.2302 30.73914 117.5905 17.97002 -7.360298      35.60640 
1 1 1 1   -16 15 o 51.06734 20.36603 37.99528       74.84789 -119.6213      173.7656 73.90091       82.93617 56.87925 26.44633 59.39398 22.00164 -2.514729      34.40176 
1 1 1 1   -16 16 o 254.6827 10.16882 1574.887       123.5675 1868.875       225.7589 1449.141       147.6476 273.5371 17.35261 243.2122 12.74237 30.32491       21.52861 
1 1 1 1   -16 17 o 125.9985 16.02193 400.1348       94.33393 711.5981       211.5976 322.8747       105.3865 161.0529 28.52499 111.1406 20.59181 49.91225       35.18093 
1 1 1 1   -16 18 o 126.0736 16.95755 405.0768       99.62102 402.9847       248.7468 405.4764       108.7209 114.1055 38.47861 125.3199 18.71907 -11.21440      42.79027 
1 1 1 1   -16 19 o 119.6665 14.06501 359.5766       78.93304 428.1797       175.6684 342.2219       88.35464 121.3829 30.35313 115.7183 16.43196 5.664619       34.51553 
1 1 1 1   -16 20 o 50.32370 18.44312 55.28883       58.01623 255.6017       174.0528 30.25105       61.53532 93.68546 32.17688 45.71690 18.38631 47.96856       37.05952 
1 1 1 1   -16 21 o 155.9903 14.75246 616.0267       108.7126 492.0545       325.5440 631.5869       115.3334 115.4072 43.42126 157.5044 15.51763 -42.09722      46.11077 
1 1 1 1   -16 22 o 74.50142 25.79428 153.8971       111.9313 299.6845       339.4870 136.1161       118.5608 96.41821 41.29596 71.72763 26.35230 24.69058       48.98775 
1 1 1 1   -15 0  o 196.4205 10.53765 932.5783       98.59306 932.5783       98.59306 0.000000       0.000000 196.4205 10.53765 ?        ?        0.000000       10.53765 
1 1 1 1   -15 1  o 145.4827 11.43329 513.9655       78.88412 513.9655       78.88412 0.000000       0.000000 145.4827 11.43329 ?        ?        0.000000       11.43329 
1 1 1 1   -15 2  o 176.7860 7.836981 752.0002       66.07306 766.8046       88.71689 733.5609       99.01122 178.0701 10.46710 173.8403 11.98650 4.229767       15.91341 
1 1 1 1   -15 3  o 279.6995 7.478935 1879.314       99.91940 1853.873       131.8322 1913.659       153.1714 277.2718 9.961246 281.3336 11.41169 -4.061829      15.14771 
1 1 1 1   -15 4  o 284.4337 7.501299 1943.536       101.9170 1848.706       136.2467 2064.012       153.5677 276.7910 10.31397 292.2984 11.00885 -15.50739      15.08552 
1 1 1 1   -15 5  f 114.2129 12.40256 319.1144       66.63683 328.6271       108.5145 313.3556       84.43143 113.7610 20.71491 112.2740 16.19738 1.486977       26.29568 
1 1 1 1   -15 6  o 190.1614 10.79073 875.1358       97.70026 767.0468       140.0653 977.5632       136.3477 176.4177 16.80951 200.1056 14.34736 -23.68785      22.09992 
1 1 1 1   -15 7  o 68.59367 14.98627 118.8226       47.76825 140.1606       77.00293 105.4745       60.90323 74.19226 20.84926 64.74569 18.65832 9.446571       27.97900 
1 1 1 1   -15 8  o 34.67161 15.59057 -24.90621      54.06706 -79.69795      72.27213 44.73246       81.47765 34.93254 16.49852 54.27890 21.37500 -19.34636      27.00170 
1 1 1 1   -15 9  f 29.62384 13.19608 -14.24542      37.76699 16.60087       126.9021 -17.24297      39.55950 60.16961 25.49094 29.90482 13.40027 30.26480       28.79853 
1 1 1 1   -15 10 o 100.9691 16.41704 255.3036       76.52872 278.4955       165.9784 249.0421       86.24310 102.7548 31.11725 99.02873 18.90545 3.726089       36.41016 
1 1 1 1   -15 11 o 346.3723 14.49780 2925.159       239.5479 2670.062       345.1335 3162.278       332.7496 326.5997 22.23622 357.3376 19.55187 -30.73792      29.60955 
1 1 1 1   -15 12 o 375.5367 11.66147 3414.630       209.1161 3328.426       250.2827 3613.959       380.5845 369.6338 14.18921 381.0183 20.97372 -11.38446      25.32253 
1 1 1 1   -15 13 o 221.5604 10.00440 1186.482       105.6987 1169.755       180.1648 1195.260       130.5212 217.5678 17.46741 221.7427 12.36077 -4.174866      21.39858 
1 1 1 1   -15 14 o 124.3859 14.51107 382.2303       84.67458 401.4355       165.1293 375.3790       98.62836 122.5410 28.69423 122.4222 17.33566 0.1187363      33.52438 
1 1 1 1   -15 15 o 60.30177 20.28622 86.38194       69.13982 110.6583       109.6748 70.37133       89.06736 70.26183 25.41639 60.05072 22.68610 10.21111       34.06834 
1 1 1 1   -15 16 o 112.3047 17.09744 317.8706       88.90584 386.5251       190.9085 298.8577       100.4650 118.0299 32.70420 107.7718 20.24159 10.25813       38.46150 
1 1 1 1   -15 17 o 114.1060 15.26099 325.2151       81.16743 327.0867       131.9057 324.0746       102.9706 110.7185 25.45246 112.3027 19.90727 -1.584167      32.31295 
1 1 1 1   -15 18 o 214.9122 11.41732 1125.444       116.8887 1068.888       216.2670 1148.782       138.9291 203.9441 22.55704 216.3254 13.50043 -12.38129      26.28843 
1 1 1 1   -15 19 o 280.6802 11.37898 1920.626       152.3780 1924.375       312.7224 1919.458       174.4942 271.7838 24.32418 279.7213 13.08435 -7.937439      27.62003 
1 1 1 1   -15 20 o 178.0475 14.93910 790.4412       125.9938 672.4407       305.3095 814.6616       138.3213 144.8603 41.78474 180.1086 16.23791 -35.24826      44.82895 
1 1 1 1   -15 21 o 41.52391 17.97764 -1.596898      65.68719 243.7161       189.6336 -35.04425      70.02223 93.19759 33.45863 38.34701 17.44276 54.85057       37.73234 
1 1 1 1   -15 22 o 70.24935 25.25322 122.9429       108.0670 27.03526       199.3069 162.8810       128.6144 70.11385 30.81462 78.44435 27.61660 -8.330498      41.37895 
1 1 1 1   -15 23 o 53.79074 20.66962 58.56546       74.73631 -40.17783      206.6812 73.41888       80.16055 65.17489 29.76937 57.52866 21.56730 7.646229       36.76090 
1 1 1 1   -15 24 o 124.4603 16.68896 402.6164       96.80397 432.4310       227.6751 396.0370       106.9531 112.5503 36.77708 122.0751 18.93886 -9.524849      41.36707 
1 1 1 1   -14 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 2  o 351.1806 19.84484 3033.349       331.8300 3033.349       331.8300 0.000000       0.000000 351.1806 19.84484 ?        ?        0.000000       19.84484 
1 1 1 1   -14 3  o 358.7027 20.16096 3167.448       344.3522 3167.448       344.3522 0.000000       0.000000 358.7027 20.16096 ?        ?        0.000000       20.16096 
1 1 1 1   -14 4  o 225.4437 15.75327 1240.671       168.7235 1240.671       168.7235 0.000000       0.000000 225.4437 15.75327 ?        ?        0.000000       15.75327 
1 1 1 1   -14 5  o 193.7435 15.15232 916.3394       139.2351 916.3394       139.2351 0.000000       0.000000 193.7435 15.15232 ?        ?        0.000000       15.15232 
1 1 1 1   -14 6  f 153.7866 15.47128 580.0197       112.2064 580.0197       112.2064 0.000000       0.000000 153.7866 15.47128 ?        ?        0.000000       15.47128 
1 1 1 1   -14 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -14 18 o 305.5945 10.06925 2259.653       146.9121 2437.142       301.3602 2204.323       168.2601 311.7164 20.33268 301.1871 11.70751 10.52927       23.46239 
1 1 1 1   -14 19 o 232.4919 12.10627 1317.698       134.0997 1356.739       235.6773 1299.007       163.0710 231.1614 21.57440 229.6770 14.93178 1.484451       26.23762 
1 1 1 1   -14 20 o 75.89971 24.93744 145.6759       104.6178 85.19058       175.0964 179.2566       130.4658 75.12006 30.71867 83.57366 27.86305 -8.453598      41.47272 
1 1 1 1   -14 21 o 141.3994 14.39551 495.9592       95.96014 443.3763       175.8643 518.2523       114.5090 126.7391 29.56785 143.5708 17.01292 -16.83173      34.11301 
1 1 1 1   -14 22 o 154.7613 19.82211 616.2462       143.3002 660.4071       339.2586 606.6563       158.0959 141.2757 44.77800 152.0933 22.41327 -10.81763      50.07419 
1 1 1 1   -14 23 o 91.90464 32.96199 234.4573       183.9958 431.2309       343.4835 155.2710       217.8951 114.9900 44.27918 84.57806 34.38750 30.41192       56.06377 
1 1 1 1   -14 24 o 120.8846 22.16520 392.2883       123.3813 279.0739       213.5483 449.0185       151.1654 97.36948 35.43079 127.2489 25.73330 -29.87943      43.78977 
1 1 1 1   -14 25 o 147.2345 24.51266 598.7395       166.4835 644.9189       229.2561 547.2154       242.1598 144.4102 33.80619 129.0412 37.21077 15.36906       50.27425 
1 1 1 1   -14 26 o 68.64317 26.39014 115.0106       121.8716 357.6564       219.9445 7.503713       146.4013 103.0045 36.12637 59.04442 26.15928 43.96008       44.60294 
1 1 1 1   -13 0  o 230.2567 9.464055 1275.531       103.9612 1275.531       103.9612 0.000000       0.000000 230.2567 9.464055 ?        ?        0.000000       9.464055 
1 1 1 1   -13 1  o 167.8008 8.517280 677.4177       68.10522 737.0674       88.44808 590.5425       106.7411 174.7485 10.63723 155.6474 14.51159 19.10106       17.99269 
1 1 1 1   -13 2  o 477.1156 6.384002 5453.660       145.6213 5409.254       182.6802 5531.058       241.1759 474.8598 8.046699 479.5797 10.51876 -4.719910      13.24363 
1 1 1 1   -13 3  o 230.7505 8.188810 1279.139       90.19505 1333.903       132.0031 1231.181       123.5284 235.0300 11.78529 225.8355 11.47870 9.194458       16.45156 
1 1 1 1   -13 4  o 189.7252 9.400912 866.8677       85.00580 988.8397       135.5617 787.8282       109.1262 201.7645 14.14306 180.2736 12.74373 21.49084       19.03756 
1 1 1 1   -13 5  o 231.5454 9.207275 1289.951       101.7206 1349.241       174.2795 1259.317       125.2724 235.4218 15.57179 228.3577 11.51156 7.064148       19.36483 
1 1 1 1   -13 6  o 412.7954 9.572969 4095.783       188.9252 3867.228       427.9020 4151.125       210.5594 395.5262 22.72441 415.1806 10.61661 -19.65433      25.08208 
1 1 1 1   -13 7  o 246.2160 9.466947 1459.270       111.2307 1666.816       199.1941 1365.231       134.0825 261.5355 16.00747 237.6690 11.83751 23.86655       19.90894 
1 1 1 1   -13 8  o 268.9397 9.502060 1740.901       121.9826 1712.150       225.9539 1752.727       144.9143 264.3841 17.98328 269.4779 11.27301 -5.093781      21.22449 
1 1 1 1   -13 9  o 230.8114 11.53559 1287.447       126.8899 1250.830       188.1682 1317.984       171.8401 225.8891 17.56167 232.5221 15.54728 -6.632996      23.45485 
1 1 1 1   -13 10 o 244.6008 9.725204 1441.244       113.5007 1424.338       200.8894 1449.171       137.5603 241.0903 17.54902 244.8354 11.78659 -3.745117      21.13982 
1 1 1 1   -13 11 o 66.20618 17.29037 110.8032       55.31343 106.0543       162.3052 111.4272       58.83556 77.85648 30.31248 66.44825 18.05426 11.40823       35.28176 
1 1 1 1   -13 12 o 354.4369 9.990929 3026.356       169.1296 2750.393       329.5279 3125.049       197.0656 333.6129 20.76343 359.7343 11.47298 -26.12137      23.72234 
1 1 1 1   -13 13 o 284.1917 12.81036 1957.427       173.6053 1697.254       248.9575 2203.691       242.2115 261.9799 20.02876 300.0639 16.95286 -38.08392      26.24025 
1 1 1 1   -13 14 o 170.7092 12.61839 708.8157       102.2559 496.1158       165.9469 839.0134       129.8335 138.5634 26.00514 185.2401 14.78289 -46.67676      29.91322 
1 1 1 1   -13 15 o 26.98848 12.99608 -74.48125      49.61501 -182.5100      85.49748 -19.62987      60.92247 31.76645 15.66882 37.94808 16.84047 -6.181629      23.00246 
1 1 1 1   -13 16 o 475.1381 11.56623 5457.047       262.7362 5465.094       298.4010 5429.290       554.1987 474.5378 13.16561 463.9396 25.07917 10.59811       28.32487 
1 1 1 1   -13 17 o 260.1412 13.32862 1646.205       165.2162 1411.039       250.7169 1826.709       219.6543 237.0437 22.38838 272.6468 16.93480 -35.60315      28.07182 
1 1 1 1   -13 18 o 129.8967 14.17822 415.0224       86.62186 501.9123       163.0089 380.8319       102.2539 139.1706 25.43644 123.3454 17.85904 15.82521       31.07986 
1 1 1 1   -13 19 o 291.8615 13.60192 2076.209       189.2733 2286.248       302.5692 1941.176       242.6017 302.3226 21.06547 280.0568 18.21809 22.26578       27.85055 
1 1 1 1   -13 20 f 192.7917 13.25239 909.3289       121.4063 1107.015       187.4130 766.3850       159.3656 210.4694 18.82378 174.5972 19.42012 35.87221       27.04581 
1 1 1 1   -13 21 o 133.2895 17.56210 446.5274       109.1928 466.2064       161.7199 430.0389       148.0305 132.4652 26.46255 127.6895 25.14389 4.775711       36.50317 
1 1 1 1   -13 22 o 157.2729 14.29088 610.8616       106.2816 467.0651       183.6745 683.2437       130.3137 130.4419 30.06876 165.4639 16.70158 -35.02202      34.39583 
1 1 1 1   -13 23 o 330.7921 11.72086 2667.738       185.0700 2185.072       335.1322 2879.513       221.9884 290.0451 24.39393 342.5504 13.58186 -52.50528      27.92008 
1 1 1 1   -13 24 o 135.1356 23.76812 486.6425       147.9544 462.8416       327.4982 492.7459       165.8434 120.5087 43.87310 134.2227 26.78338 -13.71400      51.40232 
1 1 1 1   -13 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -13 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -13 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -13 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -12 0  o 251.8531 9.167494 1523.385       110.1999 1523.385       110.1999 0.000000       0.000000 251.8531 9.167494 ?        ?        0.000000       9.167494 
1 1 1 1   -12 1  o 167.1595 8.011991 671.2146       63.84304 775.8580       82.94093 519.0635       100.0116 179.5552 9.697890 146.0315 14.51707 33.52371       17.45836 
1 1 1 1   -12 2  o 514.8807 7.306139 6351.123       179.8469 6123.616       246.5652 6609.781       262.9041 505.0439 10.21161 524.6489 10.48142 -19.60498      14.63343 
1 1 1 1   -12 3  o 93.67652 10.32656 213.2348       45.48173 167.7889       66.55539 253.0516       62.29731 81.72412 17.55795 101.6964 13.11841 -19.97228      21.91745 
1 1 1 1   -12 4  o 304.3219 9.261738 2224.156       134.5948 2325.482       161.8512 1996.980       242.3466 310.9068 10.90562 286.5344 17.77855 24.37244       20.85688 
1 1 1 1   -12 5  f 183.0899 9.372655 806.5837       81.76884 896.5327       129.2713 746.5920       105.5722 192.2857 14.16134 175.6466 12.65679 16.63911       18.99310 
1 1 1 1   -12 6  o 329.9631 9.362277 2615.462       147.5421 2558.053       297.1081 2634.253       169.9827 323.7516 19.28263 330.8871 10.75955 -7.135529      22.08139 
1 1 1 1   -12 7  o 296.3206 9.363552 2110.167       132.4846 2095.947       254.5731 2115.449       155.1503 293.1520 18.25457 296.3992 10.96773 -3.247192      21.29602 
1 1 1 1   -12 8  f 322.9430 8.488456 2504.163       130.9442 2615.519       209.3593 2432.611       167.8206 328.9878 13.33845 317.7987 11.06236 11.18909       17.32888 
1 1 1 1   -12 9  o 251.7050 10.77101 1526.922       129.3157 1645.613       181.7984 1405.363       183.9812 260.4355 14.66015 240.2337 16.11200 20.20181       21.78340 
1 1 1 1   -12 10 o 198.4694 10.95872 951.0009       103.5793 1066.905       154.0993 855.4789       139.8951 209.2525 15.51393 187.1898 15.77868 22.06265       22.12801 
1 1 1 1   -12 11 o 181.8831 11.15308 799.6788       96.51658 910.4943       148.1987 718.0577       127.1878 192.9844 16.21228 171.3555 15.69956 21.62886       22.56799 
1 1 1 1   -12 12 o 224.2761 11.28639 1214.921       120.6280 1273.440       174.2042 1161.014       167.1988 228.4438 16.05256 218.0491 16.15347 10.39468       22.77322 
1 1 1 1   -12 13 o 143.4144 12.56914 500.3080       85.30972 468.9189       148.2419 515.8504       104.3138 135.8779 23.68019 145.0578 15.27033 -9.179855      28.17685 
1 1 1 1   -12 14 o 195.3475 11.19271 922.7975       104.0951 1010.951       155.9541 851.9673       139.7935 203.2645 16.18171 186.5941 15.81937 16.67035       22.62963 
1 1 1 1   -12 15 o 50.67733 21.23855 13.74912       86.58251 -54.71681      145.2496 51.48604       107.8353 57.14920 25.63741 61.15189 24.42620 -4.002686      35.41068 
1 1 1 1   -12 16 o 269.7832 10.58397 1756.866       136.2475 1686.496       229.4449 1795.196       169.3351 261.7407 18.45405 272.0310 13.05841 -10.29028      22.60694 
1 1 1 1   -12 17 o 371.6263 9.317332 3325.899       165.4108 3184.194       256.7241 3426.483       216.2907 361.5505 14.88397 376.2823 12.03857 -14.73175      19.14314 
1 1 1 1   -12 18 o 514.8707 10.95317 6399.613       269.6163 7168.156       670.2202 6251.227       294.4963 531.9293 26.43738 508.3085 12.11837 23.62082       29.08246 
1 1 1 1   -12 19 o 96.50002 16.63263 233.8240       73.96555 233.9784       127.1836 233.7450       90.92265 94.68555 26.85977 95.49361 20.52656 -0.8080521     33.80513 
1 1 1 1   -12 20 o 210.5262 13.38451 1080.114       134.0178 1073.519       233.2440 1083.364       163.7465 205.5504 24.19776 209.8295 16.45442 -4.279083      29.26225 
1 1 1 1   -12 21 o 108.4281 20.67369 301.0130       103.2584 225.4833       147.4174 373.7635       144.6798 93.23333 29.51293 119.2119 26.10956 -25.97853      39.40460 
1 1 1 1   -12 22 o 197.9972 13.50730 959.8467       127.0947 626.2432       191.1590 1224.146       170.1483 154.1600 26.91546 222.6529 16.09279 -68.49289      31.35953 
1 1 1 1   -12 23 o 77.76378 21.55290 157.2652       82.90205 17.31002       160.6412 208.0698       96.78638 65.92252 28.32378 88.97844 22.68617 -23.05592      36.28910 
1 1 1 1   -12 24 o 213.1512 14.14927 1118.026       143.3721 921.2928       224.4146 1253.701       186.3637 187.3372 25.73586 224.0931 17.53452 -36.75598      31.14151 
1 1 1 1   -12 25 o 150.1190 16.54294 565.5871       116.7628 765.6441       265.2391 517.4988       130.0411 163.1242 35.05493 142.1558 19.65977 20.96834       40.19148 
1 1 1 1   -12 26 o 70.60779 27.94252 98.23395       139.8584 -47.41772      254.8189 161.0256       167.3111 73.02719 33.23980 81.69635 31.04033 -8.669159      45.47951 
1 1 1 1   -12 27 f 55.16828 24.07866 2.956424       119.8360 89.40882       165.1839 -93.09838      174.1160 71.93636 29.67148 57.28296 26.57885 14.65341       39.83506 
1 1 1 1   -12 28 o 162.6770 16.06157 673.8096       123.2891 174.9881       201.0506 974.4385       156.0803 83.68208 33.37681 195.2679 16.88468 -111.5858      37.40459 
1 1 1 1   -12 29 o 53.05203 24.87102 -96.51901      158.9201 62.25360       258.0302 -193.5546      201.7197 76.42101 34.23531 54.69753 26.30480 21.72348       43.17405 
1 1 1 1   -11 0  o 376.0692 9.211147 3389.256       165.6113 3389.256       165.6113 0.000000       0.000000 376.0692 9.211147 ?        ?        0.000000       9.211147 
1 1 1 1   -11 1  o 131.2685 8.413049 414.4630       52.52065 420.9115       69.59084 405.9295       80.05430 131.9876 11.13203 129.3252 13.12949 2.662384       17.21353 
1 1 1 1   -11 2  o 697.8099 23.97541 11857.32       798.6675 12186.75       1129.906 11528.38       1129.068 701.1576 33.80647 681.2038 34.78361 19.95380       48.50543 
1 1 1 1   -11 3  o 341.7446 10.55559 2804.190       172.2549 0.000000       0.000000 2804.190       172.2549 ?        ?        341.7446 10.55559 0.000000       10.55559 
1 1 1 1   -11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -11 5  o 57.10149 15.47240 81.17542       43.28106 48.79567       56.42167 127.4718       67.46564 49.85297 18.20104 71.38347 19.30692 -21.53050      26.53366 
1 1 1 1   -11 6  o 378.2906 7.984357 3428.716       144.4022 3427.650       217.8934 3429.550       192.8275 377.4799 12.08933 377.8435 10.68526 -0.3635864     16.13464 
1 1 1 1   -11 7  o 297.8147 8.479134 2127.705       120.6045 2055.164       190.2421 2176.449       155.9464 291.8592 13.67205 300.8707 10.85926 -9.011505      17.45991 
1 1 1 1   -11 8  o 105.5987 13.13651 272.4684       64.89058 177.5262       99.87450 341.8252       85.36296 84.08067 23.78529 118.0275 15.50227 -33.94685      28.39120 
1 1 1 1   -11 9  o 311.8936 9.931053 2337.607       147.8959 2440.559       278.6979 2297.250       174.4920 316.6802 18.48832 308.8457 11.83942 7.834473       21.95427 
1 1 1 1   -11 10 o 59.78968 17.08376 88.70676       51.26680 85.37798       88.62849 90.38066       62.84848 63.78217 22.87671 61.26411 19.25399 2.518055       29.90084 
1 1 1 1   -11 11 o 254.5753 11.81846 1563.326       143.4494 1422.580       204.5787 1699.462       201.1996 241.4035 17.85223 264.4838 15.98645 -23.08034      23.96391 
1 1 1 1   -11 12 o 193.7649 10.91292 906.0431       100.6852 981.0078       153.0494 848.8461       133.6872 200.5689 16.09601 186.7105 15.10546 13.85837       22.07389 
1 1 1 1   -11 13 o 110.9191 16.86478 305.3356       86.61942 315.9837       136.5228 298.1611       112.0636 110.6932 26.20599 108.2598 22.39102 2.433472       34.46900 
1 1 1 1   -11 14 f 184.8318 11.20097 825.7875       98.51385 766.5897       144.4059 877.3223       134.7355 176.6820 17.31780 189.7261 14.97546 -13.04410      22.89477 
1 1 1 1   -11 15 o 341.6212 10.90258 2813.360       177.8387 2923.308       219.8608 2605.292       302.4526 347.5471 13.25632 325.7242 19.51166 21.82285       23.58887 
1 1 1 1   -11 16 o 77.08669 17.00906 150.1956       61.00232 152.1080       99.53122 149.0450       77.20216 78.17887 24.17782 76.59743 20.62566 1.581436       31.78026 
1 1 1 1   -11 17 o 501.4529 11.29275 6063.755       270.7312 6248.471       307.6525 5429.756       569.9704 508.4662 12.65581 465.4896 25.71131 42.97656       28.65730 
1 1 1 1   -11 18 o 403.6652 15.85078 3972.129       305.3060 3785.556       436.7244 4150.466       426.9765 389.5245 23.56133 409.0697 21.91220 -19.54517      32.17577 
1 1 1 1   -11 19 o 120.6270 14.17864 357.8941       80.20919 301.7901       131.8864 390.8256       101.0436 107.5347 25.95234 125.3046 17.33029 -17.76996      31.20678 
1 1 1 1   -11 20 o 257.6378 11.63427 1607.631       142.9339 1549.419       239.4285 1639.864       178.1648 249.6638 20.23234 259.3130 14.42796 -9.649155      24.84982 
1 1 1 1   -11 21 o 92.89474 18.39378 219.0974       78.79907 39.48743       135.9950 309.8765       96.68307 64.71217 26.82874 110.7644 18.93748 -46.05224      32.83914 
1 1 1 1   -11 22 o 181.5472 13.02438 803.5803       112.2948 1029.727       185.4102 672.5670       141.1224 203.4108 19.29641 164.4159 18.26093 38.99486       26.56714 
1 1 1 1   -11 23 o 78.11734 25.31744 152.8109       108.0120 249.5894       155.0491 61.56244       150.5542 97.31983 30.19003 69.58617 28.47353 27.73366       41.49915 
1 1 1 1   -11 24 o 141.2581 15.43464 495.0115       102.5419 342.3650       178.6706 569.9848       125.2168 111.6516 31.88965 150.8709 17.69591 -39.21935      36.47047 
1 1 1 1   -11 25 o 89.57005 21.05673 209.6375       88.64037 29.84547       165.6224 281.8083       104.9336 67.88499 28.95338 103.8680 21.82593 -35.98303      36.25837 
1 1 1 1   -11 26 o 244.8815 13.36578 1471.428       155.8866 1599.836       247.9125 1387.456       200.4794 250.8537 20.85997 235.3487 17.95310 15.50493       27.52185 
1 1 1 1   -11 27 f 165.4947 14.71378 681.8834       115.2047 758.5377       192.7510 639.2817       143.6952 168.9857 24.57816 157.9035 19.44472 11.08212       31.33980 
1 1 1 1   -11 28 o 96.70361 21.82453 251.6167       98.49798 654.1093       182.1948 85.40091       117.0828 154.8925 25.48939 65.42573 25.66588 89.46677       36.17245 
1 1 1 1   -11 29 o 136.7466 22.11499 501.1243       139.6483 564.1918       197.7229 438.3499       197.2630 138.7889 30.62104 119.8184 33.26085 18.97048       45.20987 
1 1 1 1   -11 30 o 138.3507 19.05286 505.7070       122.6802 429.9353       226.0376 537.3473       146.0655 113.1561 36.62080 140.1327 22.56852 -26.97664      43.01652 
1 1 1 1   -11 31 o 47.97050 21.70149 -26.67912      106.6036 -126.1225      218.4579 4.402333       122.1323 59.86388 28.39475 54.21461 23.96223 5.649265       37.15441 
1 1 1 1   -10 0  o 84.53230 7.853739 172.5443       31.37702 165.4060       40.88039 182.7785       48.94932 82.39307 10.62516 86.44421 12.18145 -4.051140      16.16421 
1 1 1 1   -10 1  o 482.1834 7.204325 5564.982       166.0787 5554.123       173.7696 5679.582       564.4906 481.6826 7.545786 483.2425 24.51344 -1.559906      25.64854 
1 1 1 1   -10 2  o 37.44092 11.15637 33.99093       21.46305 12.16328       39.38161 43.21375       25.59894 36.00161 14.62594 41.99134 12.09525 -5.989727      18.97928 
1 1 1 1   -10 3  o 514.4667 10.02916 6343.083       246.6778 6290.531       266.8265 6652.154       647.0889 512.2134 10.89606 522.4508 25.98816 -10.23743      28.17994 
1 1 1 1   -10 4  o 269.1024 8.790360 1736.360       112.9405 1762.281       135.6049 1677.664       204.0560 270.9319 10.48886 263.5272 16.27571 7.404694       19.36272 
1 1 1 1   -10 5  o 285.2050 8.927765 1950.427       121.5830 1848.673       228.3794 1990.672       143.6286 276.4609 17.36658 287.9727 10.44965 -11.51184      20.26804 
1 1 1 1   -10 6  o 255.1417 9.523290 1562.126       115.9615 1524.040       143.1723 1634.758       197.7153 251.7301 11.93035 260.1238 15.97540 -8.393784      19.93857 
1 1 1 1   -10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -10 8  o 226.1007 10.69799 1229.024       115.3132 1385.081       167.6132 1088.785       158.8911 239.4781 14.71075 212.0378 15.78722 27.44028       21.57875 
1 1 1 1   -10 9  o 238.7744 11.04923 1371.291       125.7908 1362.797       174.7225 1380.431       181.2470 237.3314 15.48327 238.7777 15.96880 -1.446289      22.24262 
1 1 1 1   -10 10 o 470.5096 17.52951 5358.101       393.6287 4940.179       558.7657 5769.825       554.6075 448.3535 26.18150 485.7084 23.95764 -37.35489      35.48858 
1 1 1 1   -10 11 o 487.9625 10.07735 5714.558       235.0938 5229.572       561.5542 5817.624       258.8716 461.1826 25.56899 492.1553 11.00205 -30.97269      27.83556 
1 1 1 1   -10 12 o 285.2267 10.54578 1956.602       143.5585 2011.465       183.2023 1869.319       231.0775 288.6887 13.30954 277.2975 17.51980 11.39114       22.00198 
1 1 1 1   -10 13 f 256.8648 9.597750 1586.179       117.6570 1555.447       176.6114 1610.702       157.7636 253.4099 14.63995 258.2773 12.81655 -4.867386      19.45744 
1 1 1 1   -10 14 o 446.3823 10.26947 4788.915       219.1609 4686.873       494.5916 4813.847       244.4725 435.8965 23.82370 447.1080 11.44633 -11.21152      26.43080 
1 1 1 1   -10 15 o 295.5429 11.35608 2106.040       160.1580 2051.275       205.6246 2190.506       255.3677 290.7856 14.83995 299.5308 17.91451 -8.745209      23.26272 
1 1 1 1   -10 16 o 262.9252 12.05883 1670.292       151.1778 1830.912       220.3710 1527.503       207.7795 273.9251 16.90972 249.9266 17.49988 23.99849       24.33484 
1 1 1 1   -10 17 o 122.4952 15.04748 368.9538       86.27417 242.0894       175.3383 409.4804       99.10075 98.53375 32.27906 128.8058 16.46910 -30.27209      36.23768 
1 1 1 1   -10 18 o 230.1368 11.32157 1279.641       124.1841 969.0123       193.6125 1496.756       161.8663 197.5685 20.80997 248.3517 13.68558 -50.78322      24.90683 
1 1 1 1   -10 19 o 224.9794 12.21984 1225.947       130.9433 1166.446       217.3738 1259.836       164.0475 216.5874 21.26648 227.2792 15.18448 -10.69180      26.13104 
1 1 1 1   -10 20 o 136.2499 15.28954 456.7709       97.87905 551.5255       209.2773 430.2407       110.7371 144.3698 31.23003 131.4329 18.10338 12.93689       36.09774 
1 1 1 1   -10 21 o 137.4219 13.89934 462.8304       90.06434 775.3145       156.6178 308.4381       110.0880 176.6956 18.82962 109.7869 21.74334 66.90875       28.76330 
1 1 1 1   -10 22 o 189.7363 12.82530 876.2981       115.6556 1009.326       188.0476 795.3627       146.6779 201.3094 19.79441 179.3824 17.31824 21.92702       26.30096 
1 1 1 1   -10 23 o 217.3641 13.27781 1150.599       137.3238 1050.279       216.0814 1218.569       177.8609 204.1379 22.51389 222.4908 16.84611 -18.35284      28.11880 
1 1 1 1   -10 24 o 117.0921 17.36534 343.4554       94.27059 401.7401       170.2072 317.6645       113.2228 122.5976 29.41603 111.0547 22.10253 11.54291       36.79436 
1 1 1 1   -10 25 o 134.9712 19.22152 460.6376       120.5316 560.8699       169.0093 356.8947       171.9435 146.6676 24.99842 114.4200 30.76859 32.24766       39.64375 
1 1 1 1   -10 26 o 95.05524 20.78539 234.9259       91.82055 380.5718       163.1659 167.4272       111.0780 118.2327 29.07228 80.62185 25.63022 37.61086       38.75701 
1 1 1 1   -10 27 o 125.5609 17.39345 397.9860       101.6108 582.1049       179.4018 311.0252       123.2932 147.9037 26.33673 108.1028 24.43251 39.80090       35.92452 
1 1 1 1   -10 28 o 159.3115 20.12589 651.2039       149.8743 359.4547       197.7281 1045.176       229.7714 111.6785 33.99298 199.2257 24.64886 -87.54723      41.98915 
1 1 1 1   -10 29 o 105.5986 25.58004 308.2548       127.7627 536.7568       204.7732 162.6050       163.4868 135.5850 32.09201 81.26051 30.72736 54.32447       44.43048 
1 1 1 1   -10 30 o 70.69397 26.91891 116.1746       126.0019 243.0465       198.7513 30.91621       162.9279 92.31689 34.08440 65.25636 28.28273 27.06053       44.29062 
1 1 1 1   -10 31 o 57.45315 25.24045 7.865778       133.6026 -176.8215      216.2260 121.9194       169.9198 58.19324 27.78406 74.57494 30.34955 -16.38170      41.14668 
1 1 1 1   -10 32 o 80.75629 28.96960 191.6330       142.1317 -43.18505      220.6396 358.1917       185.8238 64.88885 30.04252 104.2184 33.15259 -39.32952      44.73978 
1 1 1 1   -9  0  o 516.9598 7.192708 6395.821       177.7696 6392.909       185.1794 6430.044       634.7815 516.8165 7.494593 514.1591 25.90718 2.657410       26.96944 
1 1 1 1   -9  1  f 133.0811 7.852908 425.4167       49.74170 430.7851       78.25957 421.7780       64.43063 133.4428 12.40907 132.2805 10.26834 1.162354       16.10664 
1 1 1 1   -9  2  f 468.9007 7.287403 5262.102       163.3661 5261.826       231.8900 5262.373       230.1886 468.6039 10.35065 468.6365 10.27399 -0.3268433E-01 14.58393 
1 1 1 1   -9  3  o 478.3865 9.509399 5481.822       217.4905 5510.973       237.3033 5328.795       543.7067 479.5662 10.35015 468.3986 24.36330 11.16757       26.47066 
1 1 1 1   -9  4  o 313.7871 8.623119 2359.460       129.2397 2435.656       150.3815 2144.179       252.7750 318.6964 9.881754 297.8933 17.83023 20.80304       20.38544 
1 1 1 1   -9  5  o 200.6119 7.643132 964.7313       73.17139 854.9378       107.2273 1060.414       100.0999 188.4279 11.96467 210.1407 9.992202 -21.71278      15.58837 
1 1 1 1   -9  6  o 249.6576 8.849952 1494.548       105.4645 1541.399       130.1016 1404.759       180.1102 253.3602 10.76531 241.2152 15.70336 12.14502       19.03910 
1 1 1 1   -9  7  o 581.8234 10.22725 8112.585       284.4844 8622.055       807.7015 8040.432       303.9625 594.1080 28.51986 579.1188 10.97852 14.98920       30.55994 
1 1 1 1   -9  8  o 679.3260 11.34188 11067.09       368.3592 11014.82       391.5432 11469.62       1086.622 677.5723 12.08692 682.4540 33.40552 -4.881714      35.52496 
1 1 1 1   -9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -9  10 o 96.48949 14.52624 228.7673       64.93404 224.2986       83.08994 235.7783       104.0749 94.74698 19.00496 96.71345 22.87045 -1.966469      29.73628 
1 1 1 1   -9  11 o 311.9397 10.14993 2335.746       151.1693 2484.095       278.4576 2273.755       180.0042 320.2466 18.26293 307.4721 12.26991 12.77451       22.00194 
1 1 1 1   -9  12 o 137.3210 11.40966 455.8202       74.23022 383.0959       109.1133 518.4759       101.2787 124.4859 18.92916 146.0207 14.70777 -21.53477      23.97147 
1 1 1 1   -9  13 o 182.3316 11.81973 802.1459       102.4781 693.3898       155.0555 886.4955       136.5532 168.0069 19.67653 191.1885 15.06089 -23.18156      24.77895 
1 1 1 1   -9  14 o 253.1480 10.09382 1540.756       121.9177 1300.989       183.5065 1730.215       163.1231 231.3789 16.70135 267.8352 12.77596 -36.45630      21.02761 
1 1 1 1   -9  15 o 322.5660 10.64315 2502.792       163.9086 2882.342       304.9246 2348.555       194.3797 344.0496 18.60724 311.9626 13.06177 32.08698       22.73410 
1 1 1 1   -9  16 o 197.8302 12.15111 946.0400       114.3711 1224.299       183.5703 769.4970       146.2187 223.9800 17.27635 177.2242 17.48477 46.75575       24.58027 
1 1 1 1   -9  17 o 98.29274 18.38961 242.5561       83.24178 298.3036       112.1801 174.2496       124.1750 108.3196 22.40201 84.35849 27.12892 23.96113       35.18279 
1 1 1 1   -9  18 o 141.2263 14.41391 487.5532       95.95779 590.9484       134.4539 380.2190       136.9912 154.5937 18.56254 121.9794 24.34423 32.61428       30.61388 
1 1 1 1   -9  19 o 139.7719 14.82113 478.5406       97.53219 425.9760       198.9564 495.1686       111.9003 126.9354 32.61219 141.7202 16.84463 -14.78481      36.70554 
1 1 1 1   -9  20 o 294.9653 13.10173 2107.662       184.2989 2278.162       271.9330 1962.815       250.6427 304.6086 18.76396 282.7090 18.64830 21.89960       26.45459 
1 1 1 1   -9  21 f 417.0438 11.17553 4197.405       222.6212 4636.348       469.0880 4069.802       252.9181 431.9647 22.79490 409.9971 12.91913 21.96756       26.20135 
1 1 1 1   -9  22 o 134.7473 14.93412 446.5814       94.59401 360.4153       158.6469 494.1140       117.8308 116.9585 28.61150 141.0048 17.88048 -24.04630      33.73914 
1 1 1 1   -9  23 o 126.9944 19.84123 406.5626       116.5267 362.6437       164.1184 451.2118       165.4772 116.8678 29.40290 131.2921 27.25575 -14.42425      40.09248 
1 1 1 1   -9  24 o 208.5886 14.97018 1065.315       148.2957 635.2712       259.5186 1273.819       180.7043 151.9638 36.23312 227.5354 16.72853 -75.57158      39.90843 
1 1 1 1   -9  25 o 127.5991 19.20989 410.0672       113.5563 81.41536       255.3907 491.0537       126.7779 86.66080 36.40776 139.7519 19.50548 -53.09106      41.30362 
1 1 1 1   -9  26 f 164.0663 20.70090 680.6010       158.7667 695.1415       272.3619 673.1169       195.3990 157.3683 36.85300 160.5457 26.37238 -3.177460      45.31717 
1 1 1 1   -9  27 o 198.5780 18.31369 986.6719       171.9088 627.8585       308.9035 1147.657       206.9099 144.9232 42.09790 213.0822 20.56599 -68.15897      46.85289 
1 1 1 1   -9  28 o 89.46041 26.95791 213.4568       124.7909 114.7333       193.1841 284.1506       163.4751 80.48933 32.50449 101.7449 30.89638 -21.25556      44.84561 
1 1 1 1   -9  29 o 35.09831 17.48744 -284.2556      117.1292 -763.3240      188.8231 15.37929       149.3319 ?        ?        63.07686 27.20686 0.000000       27.20686 
1 1 1 1   -9  30 o 183.3813 18.09496 857.2527       156.5779 654.7253       238.8715 1009.829       207.3319 148.5400 34.32558 195.9472 22.54211 -47.40715      41.06571 
1 1 1 1   -9  31 o 105.0567 27.35030 314.9743       138.6917 333.7462       215.7356 301.7510       181.0670 104.0145 35.81949 100.4245 32.79627 3.590004       48.56574 
1 1 1 1   -9  32 o 132.2655 27.79953 506.3396       170.1973 376.1680       204.9788 795.3002       305.4007 108.1833 34.86135 150.9956 41.17797 -42.81229      53.95312 
1 1 1 1   -9  33 o 87.05314 31.79268 234.8090       172.1703 -42.09357      203.3292 936.3477       323.6399 62.80399 28.99330 158.2439 42.06138 -95.43989      51.08592 
1 1 1 1   -8  0  o 614.5676 6.299740 9036.887       185.0975 8976.663       227.4944 9154.841       318.3789 612.3690 7.770503 618.0161 10.77547 -5.647095      13.28501 
1 1 1 1   -8  1  o 468.5375 7.235031 5253.958       162.0665 5286.384       229.7456 5221.839       228.6516 469.7006 10.23099 466.8228 10.24504 2.877808       14.47874 
1 1 1 1   -8  2  o 564.6428 7.484380 7630.755       202.0403 7690.202       286.5284 7571.969       284.9345 566.4857 10.57963 562.1110 10.60265 4.374634       14.97814 
1 1 1 1   -8  3  o 265.4216 11.16606 1691.585       141.3753 1813.963       200.4222 1570.391       199.4510 274.3434 15.34180 255.0363 16.44550 19.30711       22.49056 
1 1 1 1   -8  4  o 278.1978 11.59199 1858.618       153.8393 1936.275       218.0288 1781.624       217.0976 283.3554 16.16139 271.6682 16.79720 11.68719       23.30959 
1 1 1 1   -8  5  o 673.3934 10.77784 10866.75       346.9836 10807.70       366.8658 11367.65       1068.516 671.4573 11.42827 680.9700 32.91797 -9.512756      34.84535 
1 1 1 1   -8  6  o 375.5531 9.011731 3377.409       161.8035 3459.588       183.6526 3092.365       342.0361 379.8737 10.12131 357.5645 20.08904 22.30917       22.49467 
1 1 1 1   -8  7  o 347.2643 9.006237 2889.775       149.3982 3095.507       320.8908 2832.840       168.8097 357.9790 18.81564 343.6955 10.28500 14.28351       21.44317 
1 1 1 1   -8  8  o 239.0619 10.87852 1372.602       124.0078 1375.289       177.2433 1370.026       173.5617 238.7036 15.61687 238.2883 15.31612 0.4153290      21.87396 
1 1 1 1   -8  9  o 479.7974 17.46777 5548.888       400.0167 5293.572       566.6301 5802.550       564.7925 466.4241 25.50742 488.8021 24.24403 -22.37805      35.19093 
1 1 1 1   -8  10 f 507.1987 10.48129 6165.614       254.1564 6170.155       278.9980 6143.467       616.1501 507.2491 11.50460 502.3532 25.74065 4.895905       28.19462 
1 1 1 1   -8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -8  12 o 239.4615 11.19839 1378.291       127.8484 1251.273       171.3038 1537.996       192.0852 227.4872 15.84991 252.2928 16.00759 -24.80559      22.52693 
1 1 1 1   -8  13 o 194.2915 11.36726 908.8419       105.1276 1014.305       152.7307 813.8867       144.9222 204.6601 15.72993 183.0254 16.74752 21.63472       22.97629 
1 1 1 1   -8  14 o 103.2851 16.67061 263.6963       79.51625 353.6054       103.2201 132.4547       124.7091 119.5631 18.66729 77.71597 27.20701 41.84711       32.99529 
1 1 1 1   -8  15 o 369.7875 11.05565 3286.562       195.2346 3462.478       238.8957 2932.805       338.7724 379.1311 13.19999 346.9778 20.51352 32.15329       24.39353 
1 1 1 1   -8  16 o 347.6836 13.99429 2917.912       232.1428 2990.164       332.7422 2849.394       324.0301 350.2346 19.95452 341.8799 19.91072 8.354767       28.18900 
1 1 1 1   -8  17 o 113.8248 20.53147 324.9404       107.6190 520.9658       177.7686 211.5360       135.2116 143.0710 26.97845 92.03326 28.12922 51.03771       38.97550 
1 1 1 1   -8  18 o 134.7075 15.26959 444.4910       96.60689 494.8606       130.1701 382.7289       144.1412 141.1357 19.83834 122.3538 25.47054 18.78194       32.28480 
1 1 1 1   -8  19 o 170.1412 12.89973 702.5756       104.1479 614.9033       162.1272 764.1725       135.8952 156.7176 22.26439 176.7267 16.26635 -20.00909      27.57348 
1 1 1 1   -8  20 o 542.4078 9.114839 7069.079       236.3651 7858.346       360.7647 6475.467       312.8696 570.2700 13.23230 517.9124 12.63568 52.35767       18.29629 
1 1 1 1   -8  21 o 332.7939 13.01747 2680.634       206.7148 2692.088       278.4386 2666.568       308.5532 331.8100 17.61532 329.3158 19.68776 2.494171       26.41794 
1 1 1 1   -8  22 o 74.56237 27.30666 117.5216       127.1441 46.55071       220.4308 152.9055       155.6447 79.93262 33.71645 83.33463 30.25931 -3.402016      45.30369 
1 1 1 1   -8  23 o 210.7320 13.18678 1079.528       132.1890 874.3055       199.9574 1238.845       176.1790 186.3507 22.92658 224.7778 16.50946 -38.42711      28.25226 
1 1 1 1   -8  24 o 214.8622 13.66506 1124.815       139.6445 934.8834       203.8611 1292.720       191.6758 192.6236 22.56405 229.0077 17.64280 -36.38406      28.64271 
1 1 1 1   -8  25 o 276.4594 12.65706 1856.164       166.8472 1806.748       265.3861 1888.462       214.5528 269.2027 20.78084 277.4613 16.24529 -8.258636      26.37712 
1 1 1 1   -8  26 o 69.83566 23.07023 118.1790       89.49402 2.324807       168.1109 163.9964       105.7195 66.56161 28.78887 80.39978 24.92709 -13.83817      38.08095 
1 1 1 1   -8  27 o 166.0494 15.60487 680.6077       122.4293 516.0562       211.6300 763.3793       150.0952 137.3500 32.70090 174.9770 18.20828 -37.62704      37.42847 
1 1 1 1   -8  28 o 242.2853 15.64313 1448.689       180.2319 1467.630       339.0621 1441.229       212.7834 233.5947 31.13504 240.0692 18.68636 -6.474503      36.31213 
1 1 1 1   -8  29 o 88.93575 28.98804 208.6952       141.4921 174.2951       324.3257 216.7816       157.2453 98.18310 41.12386 90.82844 30.59344 7.354660       51.25554 
1 1 1 1   -8  30 o 127.3692 22.41109 425.2014       131.4886 545.0937       212.7805 351.1349       167.2427 138.5189 32.66491 111.9373 30.44979 26.58155       44.65631 
1 1 1 1   -8  31 o 69.25502 26.40057 105.6780       121.2820 357.7778       184.5894 -85.82311      160.8815 110.2609 32.68367 55.73094 25.75003 54.52997       41.60873 
1 1 1 1   -8  32 o 68.33894 26.55302 101.9691       124.3448 340.7236       188.0456 -83.53967      165.7561 105.8184 33.31129 56.19416 26.02480 49.62421       42.27212 
1 1 1 1   -8  33 o 53.69608 24.12147 -22.02619      129.0697 -141.5615      197.5354 67.02680       170.4987 57.18900 27.08923 68.77684 29.35639 -11.58784      39.94526 
1 1 1 1   -8  34 o 46.46754 22.51126 -186.4904      154.4768 -658.6624      333.2249 -57.24026      174.3423 56.10644 28.17834 57.62030 26.68704 -1.513863      38.81001 
1 1 1 1   -7  0  o 444.2064 6.724707 4724.244       142.8126 4535.603       193.5779 4949.544       211.5520 434.9337 9.309456 454.2827 9.740529 -19.34897      13.47382 
1 1 1 1   -7  1  o 207.9466 9.921855 1039.428       98.35543 1096.603       139.2710 982.5406       138.9208 213.0726 13.74510 201.5142 14.51690 11.55844       19.99170 
1 1 1 1   -7  2  o 94.67332 7.351864 215.9104       33.01555 261.7849       45.51870 164.9855       47.95889 104.1015 9.241808 81.92770 12.65119 22.17377       15.66728 
1 1 1 1   -7  3  o 177.2283 7.065428 753.1285       59.74598 931.1380       77.53599 492.9504       93.73832 196.9948 8.250929 142.5281 13.93431 54.46666       16.19391 
1 1 1 1   -7  4  o 153.3956 9.097806 565.7023       66.42060 533.3148       94.34653 597.5280       93.52470 148.4058 13.44307 157.2761 12.54196 -8.870300      18.38524 
1 1 1 1   -7  5  o 663.3721 10.00867 10545.56       317.4257 10709.20       337.1383 9267.707       942.1107 668.4073 10.55015 614.0350 32.20485 54.37231       33.88891 
1 1 1 1   -7  6  o 397.7494 14.71066 3805.666       279.2551 3957.949       395.6726 3654.525       394.1844 404.4525 20.52972 388.4170 21.30884 16.03546       29.58945 
1 1 1 1   -7  7  o 509.9151 18.41024 6268.992       448.0767 5555.139       634.0215 6981.291       633.3313 477.2909 27.90688 536.3217 24.76688 -59.03073      37.31210 
1 1 1 1   -7  8  o 525.7953 7.604669 6616.761       191.1637 6462.722       273.4229 6764.057       267.3713 519.2893 11.01329 531.3169 10.52574 -12.02759      15.23430 
1 1 1 1   -7  9  f 580.8060 10.17740 8081.742       282.6028 8188.594       794.7076 8066.273       302.3667 579.4803 28.77537 580.1552 10.90138 -0.6748657     30.77113 
1 1 1 1   -7  10 o 440.1386 9.625756 4640.260       202.5502 4817.271       483.6520 4602.611       223.0529 445.8145 22.76727 438.2499 10.64578 7.564575       25.13328 
1 1 1 1   -7  11 o 765.5092 11.71361 14051.81       428.6962 13987.33       451.4205 14644.29       1368.408 763.6151 12.36512 769.8031 37.29251 -6.187988      39.28903 
1 1 1 1   -7  12 o 178.7325 11.10797 768.7899       94.44846 720.6163       134.4078 815.7814       132.7483 172.2961 16.51912 183.6072 15.26058 -11.31107      22.48925 
1 1 1 1   -7  13 o 267.4078 12.20855 1719.238       155.6680 1759.380       223.1864 1681.209       217.2301 269.7266 17.40039 263.6541 17.32973 6.072479       24.55795 
1 1 1 1   -7  14 o 317.1483 13.30954 2420.005       201.3573 2417.075       287.2097 2422.837       282.3763 315.8791 19.10757 316.3326 18.75555 -0.4535522     26.77442 
1 1 1 1   -7  15 o 253.1908 11.84605 1542.153       142.9961 1623.146       201.7399 1460.374       202.7178 259.0390 16.37368 245.4639 17.38664 13.57507       23.88289 
1 1 1 1   -7  16 o 317.4684 13.41095 2428.355       203.0903 2484.583       291.6560 2375.427       282.9671 319.8318 19.16182 312.7407 19.01518 7.091156       26.99542 
1 1 1 1   -7  17 o 157.8934 12.54637 603.3185       93.93063 561.4248       141.0979 636.6613       125.8772 150.8106 20.06709 161.5210 16.53389 -10.71037      26.00111 
1 1 1 1   -7  18 o 195.9958 13.97270 930.7598       130.0702 1064.066       215.6205 854.4998       163.0847 207.6730 22.05387 186.7882 18.50528 20.88484       28.78921 
1 1 1 1   -7  19 o 419.4705 15.76437 4264.504       315.5825 4586.225       452.1666 3958.952       440.6579 432.2853 21.95045 401.0052 23.08246 31.28015       31.85314 
1 1 1 1   -7  20 o 43.48870 19.84196 -56.60723      91.49012 -139.5273      122.1800 49.23733       138.0399 44.99898 21.31200 66.99339 27.32073 -21.99440      34.65002 
1 1 1 1   -7  21 o 145.9619 13.63027 519.4109       94.01595 559.5212       148.2035 492.3994       121.6202 149.5425 21.33343 140.9220 18.49790 8.620438       28.23628 
1 1 1 1   -7  22 o 279.1650 11.89984 1883.357       158.4576 1959.184       259.1636 1838.086       200.2481 282.2774 19.32039 274.8118 15.30181 7.465637       24.64595 
1 1 1 1   -7  23 o 358.2961 14.42890 3118.155       246.6575 3473.556       357.3812 2794.858       340.8578 375.5128 19.97857 336.0273 21.32736 39.48544       29.22328 
1 1 1 1   -7  24 o 328.1656 14.28858 2618.326       223.6395 2597.364       325.5573 2637.057       307.7420 323.6374 21.15670 326.8437 19.78688 -3.206360      28.96768 
1 1 1 1   -7  25 o 350.3144 14.94175 2992.524       249.6716 3022.644       366.7129 2966.498       340.8788 348.0174 22.15530 345.6685 20.72194 2.348907       30.33572 
1 1 1 1   -7  26 o 54.49634 24.00213 -23.16197      121.5222 -63.30236      169.5411 19.25040       174.2732 61.10741 27.53156 69.34751 29.64189 -8.240105      40.45527 
1 1 1 1   -7  27 o 284.7026 13.37012 1972.953       181.4764 2142.822       296.9497 1871.689       229.2741 292.7492 21.36381 275.5297 17.49553 17.21951       27.61351 
1 1 1 1   -7  28 o 170.0350 18.70181 723.0043       149.5232 720.1273       219.9402 725.4766       203.8866 164.9053 28.95298 166.8319 26.44324 -1.926559      39.21122 
1 1 1 1   -7  29 o 164.5200 16.15847 672.7009       125.4567 898.2157       218.6126 561.9604       153.1938 185.6570 25.28603 147.6479 22.40494 38.00905       33.78409 
1 1 1 1   -7  30 o 152.6138 17.08993 584.3531       122.5542 660.6310       306.1358 569.7957       133.7384 147.3058 41.63297 149.8164 19.10604 -2.510544      45.80770 
1 1 1 1   -7  31 o 73.53194 23.98027 138.4821       96.82177 -192.2045      312.2551 173.6580       101.8412 73.64427 34.63121 80.94866 24.34438 -7.304390      42.33166 
1 1 1 1   -7  32 o 121.4195 19.10265 383.0146       107.2306 -147.2638      201.9605 591.1888       126.5400 58.96635 27.76691 152.0984 17.73416 -93.13210      32.94695 
1 1 1 1   -7  33 o 149.8102 16.45116 572.9983       115.8911 630.9753       213.5627 548.7996       137.9729 145.9490 31.52928 144.0641 20.61955 1.884979       37.67308 
1 1 1 1   -7  34 o 72.35821 28.00454 128.6459       137.8990 -187.3486      216.4292 344.5991       178.9187 57.46053 27.53197 104.6550 32.42498 -47.19443      42.53691 
1 1 1 1   -7  35 o 124.8793 29.61098 484.8300       174.0869 762.6816       379.3564 410.7079       195.9362 127.5982 47.09327 109.9498 33.90915 17.64842       58.03109 
1 1 1 1   -6  0  o 271.5558 6.277544 1766.312       81.49993 1752.869       107.6238 1784.386       124.7884 270.1860 8.341757 272.4106 9.596673 -2.224579      12.71539 
1 1 1 1   -6  1  o 324.9545 8.631442 2535.427       133.9768 2587.234       282.4569 2520.387       152.1860 325.7980 18.20650 323.7733 9.843055 2.024719       20.69692 
1 1 1 1   -6  2  o 74.70889 7.505337 135.1276       26.44438 128.2376       38.21494 141.4584       36.63131 72.13972 11.46334 76.04015 10.34427 -3.900421      15.44059 
1 1 1 1   -6  3  o 40.17906 9.797573 40.30817       18.64837 55.27832       31.03833 31.85153       23.32836 47.23762 13.22343 36.79654 11.75113 10.44109       17.69034 
1 1 1 1   -6  4  o 71.68754 8.731477 125.0552       29.30881 129.7144       44.94614 121.6083       38.65863 72.23679 13.51101 70.15011 11.95510 2.086678       18.04083 
1 1 1 1   -6  5  o 251.9392 7.012146 1521.334       84.37864 1583.733       121.9831 1464.085       116.8417 256.7160 9.957784 246.8182 9.921985 9.897827       14.05714 
1 1 1 1   -6  6  o 336.7540 13.29881 2731.077       213.6876 2635.421       302.7079 2826.094       301.6944 329.4414 19.30387 341.3875 18.55439 -11.94614      26.77508 
1 1 1 1   -6  7  o 817.3278 11.34900 16027.89       443.4678 16339.46       1523.505 15999.04       463.5402 807.9410 39.56202 816.4490 11.87545 -8.507996      41.30593 
1 1 1 1   -6  8  o 376.8711 9.075378 3402.178       163.5181 3477.106       185.3785 3139.500       347.0948 380.7611 10.19270 360.0114 20.24777 20.74969       22.66855 
1 1 1 1   -6  9  o 571.8485 10.21977 7835.360       279.4026 8263.794       782.4163 7772.740       299.1253 582.1380 28.19662 569.4549 10.98716 12.68311       30.26165 
1 1 1 1   -6  10 o 199.7874 9.228583 957.9088       87.90968 968.4656       115.8082 943.5540       135.0427 200.6028 12.13190 197.7233 14.38419 2.879471       18.81722 
1 1 1 1   -6  11 o 168.3254 9.560224 680.7925       76.61904 709.2436       107.6870 651.6237       109.0370 171.4237 13.24225 164.1692 14.02653 7.254501       19.28991 
1 1 1 1   -6  12 o 314.5615 7.921236 2370.081       119.0313 2318.168       170.9166 2418.972       165.8683 310.7448 11.52458 317.5038 10.94349 -6.759064      15.89264 
1 1 1 1   -6  13 f 422.5036 8.564952 4274.326       173.0070 4192.477       250.7219 4348.722       239.0341 417.8489 12.56488 425.6888 11.75643 -7.839874      17.20726 
1 1 1 1   -6  14 o 615.1027 30.90412 9273.473       905.8972 9273.473       905.8972 0.000000       0.000000 615.1027 30.90412 ?        ?        0.000000       30.90412 
1 1 1 1   -6  15 o 399.3611 9.109804 3820.642       173.9335 3876.279       258.1559 3774.391       235.3773 401.5292 13.46702 396.3795 12.43606 5.149750       18.33075 
1 1 1 1   -6  16 o 331.3354 11.14183 2636.419       176.2441 2918.327       320.3730 2514.081       211.0493 347.0486 19.38593 323.1655 13.69102 23.88312       23.73307 
1 1 1 1   -6  17 o 235.8952 12.35972 1340.386       138.9052 1342.033       205.2107 1338.994       188.7085 234.9592 18.41539 234.9978 16.90958 -0.3863525E-01 25.00121 
1 1 1 1   -6  18 o 332.7913 10.39505 2660.715       165.1862 2686.944       258.6621 2642.651       214.6602 333.2256 16.28559 331.0725 13.59078 2.153076       21.21155 
1 1 1 1   -6  19 f 93.61547 17.90730 219.2289       77.22739 173.3302       122.3804 249.6013       99.55228 84.44592 26.90909 99.35178 21.57795 -14.90586      34.49213 
1 1 1 1   -6  20 o 135.0876 16.28894 448.0134       103.0793 342.5647       140.5931 570.5838       151.5781 115.6376 26.05708 151.3756 21.55276 -35.73801      33.81557 
1 1 1 1   -6  21 o 39.42664 17.30841 -14.78830      62.72159 -74.01633      117.6123 8.750560       74.14497 49.04085 22.42148 46.65266 19.60936 2.388195       29.78674 
1 1 1 1   -6  22 o 112.6953 15.45449 313.5143       81.07536 559.8324       139.7581 188.5752       99.53555 149.9823 19.98791 85.96315 23.53480 64.01910       30.87723 
1 1 1 1   -6  23 o 51.66159 22.26669 -4.709981      99.88144 -21.66615      144.6041 10.76093       138.1258 60.20403 26.35941 62.24543 26.49097 -2.041409      37.37098 
1 1 1 1   -6  24 o 92.49894 19.70229 217.6061       84.45819 205.9591       162.4854 221.9179       98.86311 91.87965 31.09881 92.92830 22.49610 -1.048645      38.38242 
1 1 1 1   -6  25 o 136.7026 15.53356 460.3166       99.72293 498.3528       180.3344 443.5616       119.6883 138.1106 28.26442 133.0824 19.38036 5.028229       34.27062 
1 1 1 1   -6  26 o 139.2741 15.88192 479.1086       103.8627 550.8588       195.0036 450.6933       122.7176 144.5702 29.21962 133.8570 19.77015 10.71323       35.27953 
1 1 1 1   -6  27 o 254.1255 14.47158 1577.336       175.0949 2183.801       332.9174 1345.431       205.8679 294.0436 23.88746 232.9877 18.63721 61.05592       30.29780 
1 1 1 1   -6  28 o 139.8412 18.47288 489.5805       120.4854 514.8901       316.5103 485.2914       130.2951 134.3806 43.32098 138.6010 20.26180 -4.220413      47.82518 
1 1 1 1   -6  29 o 64.77194 23.29262 92.76236       91.94777 -74.66500      189.0357 144.6499       105.2355 63.52296 28.80169 76.22166 25.00922 -12.69871      38.14444 
1 1 1 1   -6  30 o 72.87537 24.06227 132.5957       97.36010 137.7915       206.4636 131.1100       110.4064 84.77017 33.81904 73.69273 25.61232 11.07745       42.42309 
1 1 1 1   -6  31 o 70.77208 25.68801 115.3031       112.1559 498.8441       186.5517 -101.7978      140.3537 134.5334 29.79083 51.09362 23.76031 83.43977       38.10572 
1 1 1 1   -6  32 o 81.67055 28.22332 172.1012       133.9792 680.2047       330.1253 71.90960       146.5947 145.0504 43.87623 68.68921 28.10041 76.36115       52.10333 
1 1 1 1   -6  33 o 134.7600 21.36813 480.5294       133.0807 -13.11630      220.1700 764.7125       167.0512 70.03692 31.47976 170.8840 20.88070 -100.8471      37.77538 
1 1 1 1   -6  34 f 74.20595 26.95392 142.6169       123.5126 262.8276       215.8412 84.08721       150.6091 94.13078 35.36895 68.76549 28.34477 25.36530       45.32536 
1 1 1 1   -6  35 o 57.53905 26.41172 -46.54354      165.3866 -125.0955      221.4512 52.52605       248.6965 60.87640 28.79021 74.66670 33.51729 -13.79031      44.18466 
1 1 1 1   -6  36 f 84.46855 34.26826 222.4010       215.8371 684.8644       373.0410 -10.32296      264.6296 119.5286 46.11391 70.11841 32.61365 49.41024       56.48136 
1 1 1 1   -5  0  o 405.3408 8.909951 3941.629       172.6649 3974.133       191.0051 3796.339       403.8252 406.8525 9.819731 393.8560 21.52792 12.99643       23.66175 
1 1 1 1   -5  1  f 549.4261 9.427900 7245.854       247.6468 6378.285       678.6411 7379.129       265.9892 506.6133 28.12960 554.3038 10.03709 -47.69046      29.86667 
1 1 1 1   -5  2  o 492.1267 9.554920 5815.056       224.8083 5792.447       243.3357 5946.793       587.3835 490.9772 10.36660 490.7248 25.12019 0.2523804      27.17517 
1 1 1 1   -5  3  f 239.3527 8.068719 1375.460       92.19978 1300.769       170.7004 1406.226       109.5551 231.3866 15.52055 241.8168 9.494725 -10.43030      18.19443 
1 1 1 1   -5  4  o 293.1898 8.578699 2064.371       120.1189 2063.905       139.2908 2065.724       237.2512 292.9213 9.960823 291.2957 17.11129 1.625549       19.79935 
1 1 1 1   -5  5  f 220.9455 10.43931 1176.023       109.9602 1119.599       156.0435 1231.678       154.9763 214.6075 15.30925 225.3391 14.46169 -10.73154      21.05976 
1 1 1 1   -5  6  o 341.9712 8.992661 2808.510       146.8957 2802.802       167.1617 2827.860       307.7922 341.3860 10.25357 340.4427 18.98580 0.9432678      21.57768 
1 1 1 1   -5  7  o 173.3817 8.354710 722.4420       69.04989 758.0002       90.06786 671.7479       107.5420 177.3153 10.67409 166.4167 13.63625 10.89857       17.31714 
1 1 1 1   -5  8  f 301.7643 7.299482 2181.065       105.3097 2265.002       151.5082 2102.606       146.4798 307.0413 10.33595 295.8112 10.37355 11.23013       14.64386 
1 1 1 1   -5  9  o 150.5717 9.491718 545.5828       67.98000 493.2775       97.18649 595.6907       95.12318 142.4790 14.46786 156.9574 12.78710 -14.47844      19.30878 
1 1 1 1   -5  10 o 611.4968 7.879260 8952.648       230.3499 8516.671       327.4816 9379.598       324.0730 595.8920 11.49505 625.4687 10.83749 -29.57666      15.79834 
1 1 1 1   -5  11 o 456.7721 10.06665 4998.751       219.8330 4939.812       242.1927 5274.464       523.8270 453.9537 11.15941 466.2668 23.57527 -12.31317      26.08305 
1 1 1 1   -5  12 o 348.3797 9.481754 2908.945       157.7778 3016.612       324.6227 2875.644       180.5363 353.3258 19.29061 346.2284 10.92036 7.097382       22.16713 
1 1 1 1   -5  13 o 347.9559 9.581786 2902.120       159.2449 2884.977       320.9294 2907.719       183.4177 345.4455 19.51150 348.1368 11.03397 -2.691315      22.41533 
1 1 1 1   -5  14 f 718.9396 8.652831 12376.41       297.4123 12559.73       430.3893 12208.86       411.4582 723.5950 12.44107 713.4904 12.06227 10.10461       17.32855 
1 1 1 1   -5  15 o 367.1552 20.98142 3266.066       366.7592 3266.066       366.7592 0.000000       0.000000 367.1552 20.98142 ?        ?        0.000000       20.98142 
1 1 1 1   -5  16 o 199.9488 12.82726 963.5500       121.9731 999.5724       207.2386 944.4580       150.8727 202.1541 21.78632 197.4801 16.12020 4.673950       27.10174 
1 1 1 1   -5  17 o 269.9153 11.16592 1750.480       143.7777 1861.285       238.0943 1686.884       180.3796 277.2248 18.06258 264.5193 14.31672 12.70551       23.04832 
1 1 1 1   -5  18 o 246.3072 12.30926 1460.730       144.4904 1507.350       213.1623 1421.102       196.5300 249.2095 18.01267 242.1237 17.08762 7.085770       24.82827 
1 1 1 1   -5  19 o 202.5065 12.48923 989.6393       120.3275 868.1309       178.0476 1091.791       163.2511 188.1437 20.10547 212.0788 16.22408 -23.93515      25.83507 
1 1 1 1   -5  20 o 122.3587 14.72182 366.2460       84.39209 198.9420       137.8393 466.5642       106.7357 90.10701 28.53990 137.9590 16.51017 -47.85199      32.97138 
1 1 1 1   -5  21 o 105.5637 17.03043 276.7099       83.02618 194.9276       144.8877 316.6950       101.3096 89.68293 29.34039 112.5211 19.54109 -22.83820      35.25213 
1 1 1 1   -5  22 o 347.6310 14.20731 2926.261       235.6256 3214.982       345.7185 2675.805       321.9948 362.1476 20.04593 330.1007 20.50423 32.04688       28.67513 
1 1 1 1   -5  23 o 364.4896 11.42025 3204.679       198.7618 3236.357       379.7891 3192.730       233.2559 361.8857 22.05617 363.1737 13.45741 -1.287964      25.83751 
1 1 1 1   -5  24 o 169.4062 16.00696 703.5175       128.1050 632.7487       193.7850 758.4504       170.7324 157.1294 26.75390 174.4928 20.87989 -17.36339      33.93731 
1 1 1 1   -5  25 o 237.1830 13.24312 1365.718       149.5733 1116.350       236.0471 1533.021       193.3440 210.6777 23.85460 250.3913 16.23872 -39.71355      28.85720 
1 1 1 1   -5  26 o 244.9000 14.43012 1461.587       168.2047 1454.478       308.3707 1464.598       200.6892 238.4624 27.55491 244.1406 17.30612 -5.678238      32.53883 
1 1 1 1   -5  27 o 111.7652 24.35414 324.5990       126.4468 420.8084       187.7011 244.6593       171.0958 125.1733 31.41766 97.60779 31.88072 27.56556       44.75991 
1 1 1 1   -5  28 o 87.23857 27.46068 194.7878       127.7937 341.5234       187.7357 68.08605       174.4498 112.5217 32.85698 74.32584 30.55762 38.19584       44.87036 
1 1 1 1   -5  29 o 84.55479 28.00843 179.1003       131.8803 155.8092       192.0259 199.8938       181.4379 86.56438 33.16522 91.28368 32.73293 -4.719299      46.59803 
1 1 1 1   -5  30 o 78.51724 30.39154 122.5210       162.4221 629.6707       346.5252 -20.26715      183.8708 144.3782 45.18718 66.75049 29.45664 77.62775       53.94048 
1 1 1 1   -5  31 f 106.5135 29.73162 311.4558       157.1488 186.7475       205.9757 485.1567       243.0913 89.99096 34.38081 129.1752 37.29228 -39.18421      50.72233 
1 1 1 1   -5  32 o 117.0377 23.55399 362.9474       127.2271 369.1213       218.1921 359.7669       156.6060 113.0807 35.91857 114.1803 28.71946 -1.099525      45.98860 
1 1 1 1   -5  33 o 109.0027 25.18047 324.1594       128.5814 278.1497       220.0265 348.0214       158.4544 99.46643 35.99703 110.9109 29.40829 -11.44451      46.48261 
1 1 1 1   -5  34 o 64.82826 26.87580 63.46431       136.4649 72.72607       350.5259 61.80977       148.1535 87.42155 39.46893 66.30573 27.78481 21.11581       48.26792 
1 1 1 1   -5  35 o 88.22678 27.08897 224.4430       125.2146 518.9711       211.3989 65.26723       155.4096 128.4769 33.92223 66.89861 28.26913 61.57825       44.15724 
1 1 1 1   -5  36 o 144.7558 27.11074 617.3284       180.7295 659.1930       241.7418 564.2779       272.1282 139.1472 36.05048 121.8857 40.22771 17.26150       54.01765 
1 1 1 1   -4  0  o 300.9568 6.796639 2168.271       97.79277 2264.048       138.3972 2072.764       138.2028 307.1830 9.434890 293.8573 9.851134 13.32574       13.64045 
1 1 1 1   -4  1  o 386.4725 6.969071 3575.906       128.7662 3594.914       182.2805 3556.971       181.9259 387.0754 9.858023 385.0211 9.891484 2.054321       13.96503 
1 1 1 1   -4  2  o 213.0010 6.745987 1087.247       68.61003 1135.504       97.39463 1039.707       96.66792 217.4312 9.391394 208.0002 9.748102 9.431030       13.53602 
1 1 1 1   -4  3  o 235.2984 6.831876 1326.766       76.77277 1320.103       109.2515 1333.265       107.9072 234.4027 9.770339 235.5908 9.600510 -1.188126      13.69778 
1 1 1 1   -4  4  o 427.8148 15.78981 4423.048       322.4001 4334.776       456.1333 4511.171       455.7520 421.0775 22.74239 429.7827 22.25631 -8.705200      31.82074 
1 1 1 1   -4  5  o 218.9777 8.131823 1151.118       84.98476 1178.951       103.8156 1094.575       147.9680 221.3985 9.832507 212.5032 14.65417 8.895264       17.64718 
1 1 1 1   -4  6  f 149.9041 8.185947 540.5115       58.44393 585.4262       93.06242 511.2613       75.10075 155.3873 12.63606 145.4256 10.88065 9.961731       16.67509 
1 1 1 1   -4  7  o 231.0984 7.313058 1281.474       80.69701 1247.033       115.3724 1314.463       112.9130 227.4890 10.63745 233.6564 10.13191 -6.167435      14.69050 
1 1 1 1   -4  8  o 245.4353 10.96467 1451.406       128.3344 1490.131       182.2434 1413.314       180.7504 247.7402 15.46387 241.1725 15.76267 6.567688       22.08151 
1 1 1 1   -4  9  f 496.7597 17.68454 5986.902       419.3291 6323.241       593.6904 5652.076       592.3537 507.1154 24.56055 478.5890 25.98617 28.52649       35.75614 
1 1 1 1   -4  10 o 398.6887 9.486085 3811.884       180.8129 4034.561       409.2252 3757.866       201.5542 407.0838 21.09865 395.5443 10.66805 11.53955       23.64234 
1 1 1 1   -4  11 o 196.1887 10.17642 925.2548       95.12409 901.4919       135.3389 948.4550       133.7271 193.0429 14.77659 198.1210 14.21267 -5.078110      20.50238 
1 1 1 1   -4  12 o 404.9579 9.800539 3929.005       189.7440 3934.474       213.8376 3908.753       411.4683 404.9654 11.05514 401.6256 21.50767 3.339722       24.18255 
1 1 1 1   -4  13 o 639.9713 22.08465 9905.017       674.6958 10152.70       955.1623 9658.370       953.1688 644.2971 31.10049 628.0353 31.84913 16.26178       44.51525 
1 1 1 1   -4  14 o 236.2467 8.811416 1338.252       99.34778 1263.940       144.5197 1404.833       136.7962 229.1328 13.24914 241.7664 11.87134 -12.63361      17.78955 
1 1 1 1   -4  15 o 341.7474 13.79890 2808.262       224.9904 2866.778       321.5163 2752.110       314.9542 344.2774 19.61494 337.2995 19.61558 6.977875       27.74017 
1 1 1 1   -4  16 o 66.57529 19.37340 108.9501       65.36837 52.44663       105.9094 143.7209       83.08147 61.74228 24.35273 76.18981 21.74081 -14.44753      32.64534 
1 1 1 1   -4  17 o 303.1974 13.31599 2211.538       192.5515 2049.554       276.8544 2363.305       267.9802 290.6723 20.04504 312.6447 18.00462 -21.97235      26.94383 
1 1 1 1   -4  18 o 423.3258 9.415681 4294.294       190.5613 4708.891       293.7578 3993.063       250.3952 442.4367 13.90495 407.5761 12.86629 34.86060       18.94436 
1 1 1 1   -4  19 o 74.45576 22.29109 136.1489       85.52982 177.9276       221.2125 128.8056       92.74237 95.70969 35.83884 73.44430 23.42756 22.26540       42.81674 
1 1 1 1   -4  20 o 398.5794 15.37515 3836.936       292.4336 4068.436       422.6805 3624.385       405.0122 408.3860 21.72695 385.2642 22.08126 23.12173       30.97810 
1 1 1 1   -4  21 o 400.3453 15.50919 3877.086       296.2851 4089.578       428.4614 3682.361       410.1584 408.7725 22.00521 387.7409 22.21896 21.03156       31.27158 
1 1 1 1   -4  22 o 35.63432 16.73656 -75.12298      72.54170 -134.5678      144.5556 -55.11428      83.86626 50.97611 23.84040 41.38063 18.92463 9.595486       30.43857 
1 1 1 1   -4  23 o 121.6484 20.39984 371.3415       114.4466 536.9260       162.9647 210.2036       160.7617 145.6565 24.25467 92.93055 30.92807 52.72591       39.30439 
1 1 1 1   -4  24 o 198.8300 14.55709 962.7254       137.4183 984.9482       207.5886 945.3910       183.3402 198.7543 22.22646 195.4788 19.89470 3.275467       29.82976 
1 1 1 1   -4  25 o 162.2022 19.99940 654.8265       151.8087 921.4761       287.4584 551.6960       178.7714 187.1785 33.34536 146.5114 26.49732 40.66705       42.59132 
1 1 1 1   -4  26 o 543.9751 13.74196 7176.608       357.0986 7313.763       416.6998 6797.376       692.8987 547.8052 15.92759 517.7291 28.09891 30.07605       32.29918 
1 1 1 1   -4  27 o 194.1609 14.64324 921.6848       134.9257 631.2631       220.7437 1094.903       170.4788 154.3602 30.98974 210.9128 17.05199 -56.55257      35.37138 
1 1 1 1   -4  28 o 250.3016 14.53415 1530.481       173.1767 1338.743       276.8120 1653.785       221.9830 228.8451 25.74706 258.7401 18.05853 -29.89496      31.44872 
1 1 1 1   -4  29 o 104.7722 23.92979 286.3804       117.2284 520.2763       343.5306 255.5538       124.7145 134.7048 45.21810 98.53419 26.07318 36.17058       52.19662 
1 1 1 1   -4  30 o 138.6339 18.20524 481.7267       117.7500 673.9120       223.8390 408.1962       138.4553 158.6091 30.62786 125.3563 23.97568 33.25284       38.89600 
1 1 1 1   -4  31 o 146.8163 18.03140 542.1559       123.9098 282.6375       229.3890 649.0788       147.2393 103.3391 36.83350 160.1171 19.64557 -56.77797      41.74512 
1 1 1 1   -4  32 o 164.6012 27.67937 727.3169       210.0979 563.6854       343.4101 825.2019       265.6059 133.9912 45.21134 171.3396 33.62564 -37.34840      56.34491 
1 1 1 1   -4  33 o 187.1510 17.55969 882.0673       155.2796 283.7238       241.0123 1306.704       203.0359 101.8798 37.54792 227.2240 18.85981 -125.3442      42.01831 
1 1 1 1   -4  34 o 115.6569 25.21727 367.8512       135.4965 162.9848       222.7036 488.2575       170.7327 85.64987 34.78644 131.9018 27.94441 -46.25192      44.62047 
1 1 1 1   -4  35 o 196.2103 19.96520 1009.463       184.6795 956.5563       381.0514 1025.706       211.1337 159.4963 46.87621 194.9883 23.09655 -35.49197      52.25734 
1 1 1 1   -4  36 o 43.22215 21.42487 -323.0557      167.0948 -642.6100      214.1916 173.7982       267.0818 41.94170 21.24696 85.27206 36.57730 -43.33036      42.30050 
1 1 1 1   -4  37 o 45.82567 22.53788 -263.5256      172.6470 -400.5067      220.9980 -49.00483      276.5621 48.51323 24.14685 69.07547 32.51666 -20.56224      40.50190 
1 1 1 1   -3  0  o 352.4243 8.563896 2974.621       144.2931 3009.793       162.2330 2841.453       315.6758 354.2884 9.586792 342.5890 19.35214 11.69940       21.59657 
1 1 1 1   -3  1  o 264.5296 6.738716 1675.774       85.15420 1750.243       120.5345 1601.571       120.3182 270.1245 9.347470 258.3418 9.759100 11.78262       13.51352 
1 1 1 1   -3  2  o 601.6074 7.512385 8664.598       216.0724 8650.875       305.7947 8678.281       305.3510 600.6822 10.64822 601.6384 10.61586 -0.9561768     15.03599 
1 1 1 1   -3  3  o 251.9271 8.133555 1521.473       97.83499 1479.994       184.9650 1537.585       115.2816 247.4997 15.71284 253.1242 9.543258 -5.624496      18.38388 
1 1 1 1   -3  4  o 499.7353 7.298428 5979.033       174.3724 5860.819       247.0146 6096.455       246.1870 494.3688 10.45113 504.2451 10.21210 -9.876282      14.61209 
1 1 1 1   -3  5  o 422.8734 8.978172 4285.597       181.5125 4369.112       200.8433 3913.325       424.0384 426.8639 9.841463 400.8881 22.21133 25.97577       24.29398 
1 1 1 1   -3  6  o 399.0472 14.87016 3842.095       283.1966 3950.845       400.8163 3733.687       400.1853 402.8668 20.88143 391.4082 21.46787 11.45859       29.94835 
1 1 1 1   -3  7  f 677.3477 23.43549 11235.48       757.7733 11546.51       1072.037 10924.90       1071.270 678.6597 33.14092 659.1968 34.10789 19.46295       47.55700 
1 1 1 1   -3  8  o 109.7689 8.893082 291.0244       46.27087 328.0941       66.07034 255.3430       64.82133 116.1257 12.07683 102.0090 13.63237 14.11678       18.21239 
1 1 1 1   -3  9  f 339.2761 13.30128 2780.865       215.3340 2904.241       305.0898 2658.393       303.9699 345.0314 18.56362 329.7681 19.36553 15.26324       26.82595 
1 1 1 1   -3  10 o 219.3134 10.38474 1158.185       108.5759 1332.072       154.4206 988.1666       152.6930 234.6044 13.82902 201.4928 15.98163 33.11156       21.13420 
1 1 1 1   -3  11 o 268.4251 11.62325 1734.606       148.8088 1782.369       211.2507 1687.563       209.6532 271.1722 16.37088 263.7584 16.71190 7.413849       23.39430 
1 1 1 1   -3  12 o 217.1933 10.66482 1134.226       110.4024 1102.203       156.7930 1165.714       155.4804 213.4087 15.47269 219.5974 14.89768 -6.188705      21.47894 
1 1 1 1   -3  13 o 224.9598 9.467520 1214.515       101.5962 1343.005       169.2955 1142.197       127.0086 235.8975 15.09027 217.8512 12.24380 18.04626       19.43262 
1 1 1 1   -3  14 o 435.9833 15.93699 4574.969       331.6295 4839.193       470.3922 4313.860       467.6102 447.0330 22.07791 421.7017 23.28409 25.33133       32.08711 
1 1 1 1   -3  15 o 327.4136 9.816108 2570.208       153.4807 2870.103       305.1573 2468.656       177.5755 344.7235 18.58460 320.6825 11.60154 24.04095       21.90852 
1 1 1 1   -3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -3  17 o 151.5442 13.67609 555.8492       98.02025 490.5391       151.8527 602.4988       128.3384 140.5234 23.42730 157.2618 17.35814 -16.73846      29.15722 
1 1 1 1   -3  18 o 399.6973 15.39211 3847.803       293.5792 4085.302       421.0653 3623.126       409.5418 410.4141 21.53481 386.2395 22.27302 24.17462       30.98121 
1 1 1 1   -3  19 o 465.1983 11.49642 5192.597       255.6872 5308.146       552.5185 5161.108       288.4297 466.5176 24.86232 463.3578 13.03307 3.159729       28.07127 
1 1 1 1   -3  20 o 466.0429 11.74923 5219.039       261.5755 5974.181       572.8245 5020.090       294.0205 494.5253 24.30284 456.6917 13.48099 37.83356       27.79145 
1 1 1 1   -3  21 o 370.8873 11.78282 3309.469       208.6643 3182.074       383.0685 3363.218       248.8189 360.6821 22.32427 373.4079 13.96231 -12.72577      26.33095 
1 1 1 1   -3  22 o 165.9604 19.39443 678.2754       150.9847 572.9144       256.4794 734.1514       186.7778 147.6004 36.54213 171.6707 23.36299 -24.07031      43.37230 
1 1 1 1   -3  23 o 216.4450 14.23913 1136.693       146.5280 1218.022       214.8965 1066.026       200.3147 222.3957 20.43975 207.9510 20.41121 14.44470       28.88600 
1 1 1 1   -3  24 o 121.0117 17.95359 364.1405       100.7246 333.5577       170.4593 380.5477       124.8532 112.9947 30.74279 122.6431 22.10662 -9.648338      37.86584 
1 1 1 1   -3  25 o 409.1226 16.08449 4075.595       313.9946 4355.125       457.0279 3825.693       432.1283 419.0649 22.89847 392.5533 23.12780 26.51154       32.54589 
1 1 1 1   -3  26 o 421.2392 13.92321 4304.365       280.0138 4774.953       371.9543 3688.810       425.4047 441.7623 17.64686 384.9268 23.22420 56.83548       29.16805 
1 1 1 1   -3  27 o 214.7818 14.81766 1126.383       151.2222 770.9083       241.0825 1356.978       194.1716 171.4828 30.52512 234.9361 17.41106 -63.45334      35.14154 
1 1 1 1   -3  28 o 90.64832 23.83430 213.2975       104.6426 166.3559       192.6381 232.9469       124.6342 88.38556 33.36950 94.47003 26.51697 -6.084473      42.62246 
1 1 1 1   -3  29 o 179.9460 21.86331 818.4276       184.2354 779.6078       343.2603 834.1353       218.3508 163.8871 43.20438 179.6570 26.19184 -15.76987      50.52357 
1 1 1 1   -3  30 o 108.9213 23.08551 308.0438       116.4769 22.39571       210.1167 434.7632       139.9479 75.12968 32.33780 129.7901 23.41494 -54.66045      39.92484 
1 1 1 1   -3  31 o 63.42124 25.52357 57.95946       118.6665 595.1285       350.2550 -11.69526      126.1259 140.7360 45.58899 56.41293 24.66052 84.32308       51.83143 
1 1 1 1   -3  32 o 180.3196 16.56890 810.4868       141.2428 436.2153       236.6579 1017.560       176.0313 122.6787 37.15782 201.2277 18.50463 -78.54900      41.51054 
1 1 1 1   -3  33 o 44.84982 21.90108 -256.4925      154.3481 -211.6266      199.7617 -322.9579      243.1374 55.99733 26.72728 58.21198 28.21061 -2.214649      38.86111 
1 1 1 1   -3  34 f 230.2245 18.70908 1347.070       204.1532 915.9849       378.8629 1523.461       242.3481 165.0424 46.19877 243.0257 21.06616 -77.98326      50.77509 
1 1 1 1   -3  35 o 141.7198 22.66325 540.2303       148.3829 340.9583       235.3661 671.6716       191.1554 104.3433 37.29712 155.1497 26.73575 -50.80640      45.88982 
1 1 1 1   -3  36 o 58.55778 26.21499 -12.04623      151.0148 -574.8914      370.3447 100.2055       165.3896 63.42803 31.51855 71.70514 29.64407 -8.277111      43.26881 
1 1 1 1   -3  37 o 139.6029 28.68497 590.1283       185.0439 746.9641       237.8071 349.4281       294.6053 151.4660 33.70818 97.61930 39.87387 53.84670       52.21271 
1 1 1 1   -2  0  o 245.7922 6.692098 1446.895       78.56595 1416.284       111.1044 1477.510       111.1136 242.9330 9.584945 248.1563 9.382459 -5.223267      13.41274 
1 1 1 1   -2  1  o 297.3304 8.132991 2118.460       115.5021 1871.708       232.8202 2199.015       133.0263 278.1696 17.59682 302.8328 9.198776 -24.66312      19.85612 
1 1 1 1   -2  2  o 364.5193 8.397010 3182.052       146.3368 2667.443       321.1528 3316.896       164.3950 331.6797 20.35074 372.0914 9.241249 -40.41165      22.35069 
1 1 1 1   -2  3  o 305.2823 8.479534 2233.659       123.6406 2236.488       141.8464 2224.710       252.2626 305.3498 9.728971 303.3903 17.46555 1.959534       19.99246 
1 1 1 1   -2  4  o 261.3468 6.906763 1635.861       86.22224 1588.510       122.2213 1682.775       121.6540 257.2655 9.955833 264.8339 9.624259 -7.568390      13.84720 
1 1 1 1   -2  5  o 406.8187 7.148726 3961.597       139.0394 3859.574       196.9664 4062.928       196.2981 401.1250 10.27926 411.7244 9.972436 -10.59933      14.32176 
1 1 1 1   -2  6  o 175.2396 8.148921 737.0769       68.08475 748.4127       111.8678 730.4074       85.80702 175.9822 13.39689 174.2254 10.34818 1.756821       16.92812 
1 1 1 1   -2  7  o 347.8689 7.202536 2897.707       119.7869 2959.595       170.4424 2837.304       168.3849 351.1204 10.16414 343.7701 10.25682 7.350250       14.43995 
1 1 1 1   -2  8  o 173.0854 9.512669 720.8397       78.41482 745.6842       111.5804 696.5962       110.2227 175.4998 13.39983 169.5385 13.71561 5.961304       19.17481 
1 1 1 1   -2  9  o 36.81167 12.65137 29.71960       26.90848 31.83785       54.19540 29.02656       30.99942 45.24768 17.54408 37.72414 13.52967 7.523533       22.15507 
1 1 1 1   -2  10 o 248.2765 11.09345 1485.893       131.3447 1568.162       186.4664 1404.877       185.0407 254.0994 15.42191 240.2565 16.20435 13.84293       22.36998 
1 1 1 1   -2  11 o 149.2613 9.434343 536.9565       66.97913 583.0919       95.73475 492.7215       93.74228 155.0135 13.03864 142.2380 13.96498 12.77548       19.10568 
1 1 1 1   -2  12 f 581.6084 20.47681 8228.182       568.4904 8372.019       804.6255 8084.814       803.3099 581.6530 29.02658 571.2382 29.51431 10.41473       41.39610 
1 1 1 1   -2  13 o 197.8343 9.488722 940.2438       89.48488 918.6978       141.0006 954.7743       115.7921 194.7778 15.26348 199.0376 12.22747 -4.259766      19.55722 
1 1 1 1   -2  14 o 443.5787 16.21173 4739.423       343.2237 4995.254       486.6231 4486.166       484.1694 453.8368 22.49783 429.7004 23.65933 24.13635       32.64838 
1 1 1 1   -2  15 o 181.6910 10.66683 793.7947       92.24918 718.1084       133.2771 863.4036       127.8143 172.0508 16.40103 189.1017 14.24227 -17.05098      21.72179 
1 1 1 1   -2  16 f 331.5435 12.21379 2639.787       193.2664 2660.113       249.8029 2609.478       305.0376 332.3102 15.76834 328.4568 19.51320 3.853394       25.08796 
1 1 1 1   -2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -2  18 f 291.6807 13.30767 2046.778       185.0855 2284.048       268.8667 1833.064       255.1708 307.2999 18.38469 274.9556 19.53884 32.34430       26.82841 
1 1 1 1   -2  19 o 822.7578 28.18343 16543.75       1106.962 16733.37       1568.056 16355.37       1562.917 818.2860 40.20498 808.6652 40.55525 9.620789       57.10664 
1 1 1 1   -2  20 o 443.8416 17.07158 4757.239       361.5761 4442.601       516.3165 5060.046       506.5161 426.2457 25.45247 455.7974 23.32165 -29.55173      34.52141 
1 1 1 1   -2  21 o 208.2219 15.02626 1050.099       148.5781 1180.240       271.3553 994.3763       177.5596 217.9673 26.58953 201.8821 18.60578 16.08519       32.45271 
1 1 1 1   -2  22 o 293.8380 13.07981 2082.872       183.2855 2370.126       295.1080 1902.483       233.8578 311.6774 19.90875 279.7617 17.57336 31.91568       26.55525 
1 1 1 1   -2  23 o 205.0630 15.38358 1022.408       149.7186 939.9948       213.1716 1102.635       210.3251 194.4122 23.40519 211.4920 21.08175 -17.07980      31.49989 
1 1 1 1   -2  24 o 285.6207 13.93624 1976.335       189.7277 2143.583       284.1346 1841.759       254.8747 295.3604 20.24406 273.9218 19.59155 21.43854       28.17181 
1 1 1 1   -2  25 f 229.4890 14.15287 1279.855       154.5243 1250.122       239.0867 1301.184       202.5024 223.9830 22.63746 230.0626 18.56856 -6.079651      29.27877 
1 1 1 1   -2  26 o 229.9955 15.89137 1292.362       173.6644 981.6051       314.5806 1428.583       208.2780 192.0468 35.57199 241.0752 18.20556 -49.02844      39.96009 
1 1 1 1   -2  27 o 465.5468 12.44153 5244.869       276.6662 4962.548       560.8945 5335.645       318.0501 443.3170 26.58634 468.6933 14.21020 -25.37637      30.14570 
1 1 1 1   -2  28 o 176.6907 15.66460 766.8766       130.9550 969.8108       215.9424 648.8324       164.6958 195.8104 23.53856 160.2589 22.08207 35.55153       32.27509 
1 1 1 1   -2  29 o 207.9943 15.16783 1061.017       149.7918 1168.343       242.6083 994.8981       190.4217 214.3595 24.08951 199.4109 20.25446 14.94868       31.47297 
1 1 1 1   -2  30 o 106.9968 23.74249 298.6552       118.2775 27.67582       212.5702 420.1714       142.3480 75.92838 32.60162 127.1836 24.29622 -51.25519      40.65922 
1 1 1 1   -2  31 o 179.6385 23.90536 827.8677       200.2150 925.4542       368.0070 786.8384       238.6207 177.2191 43.71125 171.7535 30.15970 5.465652       53.10632 
1 1 1 1   -2  32 o 76.13808 26.40970 141.4790       117.3601 319.6920       220.9580 71.44579       138.5135 107.5972 36.26563 68.22328 27.53331 39.37396       45.53328 
1 1 1 1   -2  33 o 57.36581 24.75872 6.629049       123.8150 -12.20539      347.3745 9.370058       132.5186 87.26105 39.35341 59.41309 25.62807 27.84796       46.96263 
1 1 1 1   -2  34 f 71.28868 28.93899 85.01215       154.0341 28.23824       206.0769 156.8884       231.8717 72.78206 31.67387 87.44443 35.50263 -14.66237      47.57805 
1 1 1 1   -2  35 o 52.08013 23.10357 -15.86419      114.5607 -351.5025      208.8244 128.6394       137.0202 50.42625 24.79786 73.93716 28.09075 -23.51091      37.47031 
1 1 1 1   -2  36 o 76.35222 26.68950 158.1870       119.9825 -9.945889      209.9563 239.7212       146.2083 67.51839 30.50877 90.35693 29.46827 -22.83853      42.41655 
1 1 1 1   -2  37 o 149.0134 25.22942 631.8680       173.3312 344.7453       237.8294 957.1519       253.1413 100.1945 37.23104 177.2441 31.00165 -77.04965      48.44846 
1 1 1 1   -2  38 o 65.01819 26.05118 100.8578       123.0492 -70.42514      220.8821 177.9330       148.1702 61.77929 29.07508 77.10738 29.23079 -15.32809      41.22863 
1 1 1 1   -1  0  o 228.3140 4.805057 1246.816       52.44928 1027.760       64.24740 1684.502       90.81538 207.1370 6.495711 265.1860 7.169668 -58.04906      9.674626 
1 1 1 1   -1  1  o 318.2238 6.795560 2423.600       103.3871 2402.880       146.2490 2444.299       146.1739 316.5204 9.675939 319.2489 9.587920 -2.728455      13.62175 
1 1 1 1   -1  2  o 220.8495 6.714880 1168.357       70.81713 1175.539       100.2522 1161.205       100.0492 221.2985 9.497714 219.9389 9.537555 1.359604       13.46000 
1 1 1 1   -1  3  o 33.20414 8.654861 27.38140       13.87699 31.31779       21.24201 24.45069       18.32876 36.19624 11.16529 32.39902 10.42307 3.797218       15.27429 
1 1 1 1   -1  4  o 150.0502 8.878105 541.1767       63.40446 571.6345       89.75679 510.8399       89.57838 153.8543 12.30500 145.2921 13.03429 8.562210       17.92500 
1 1 1 1   -1  5  o 286.1789 11.86577 1968.162       161.9939 1895.859       229.1302 2040.419       229.0578 280.0413 17.19695 290.6763 16.55105 -10.63504      23.86781 
1 1 1 1   -1  6  o 630.1826 10.42331 9519.926       314.0366 9881.098       934.4626 9473.943       333.4288 634.4224 30.90178 628.5411 11.09586 5.881226       32.83349 
1 1 1 1   -1  7  o 556.3523 7.619374 7411.417       202.6644 7203.291       287.1169 7618.083       286.1074 547.9980 10.95901 563.6144 10.61790 -15.61639      15.25909 
1 1 1 1   -1  8  o 261.9595 11.41938 1650.550       142.6726 1554.635       202.0173 1745.997       201.5226 253.3043 16.77611 268.7089 15.75590 -15.40456      23.01491 
1 1 1 1   -1  9  o 258.9231 8.819456 1609.436       109.0151 1573.258       197.4546 1625.299       130.7486 254.6824 16.30221 259.9611 10.54197 -5.278717      19.41379 
1 1 1 1   -1  10 o 87.55848 10.12483 186.6067       41.60324 188.2905       60.73808 185.1185       57.10187 87.04525 15.14485 86.45337 14.31587 0.5918808      20.84012 
1 1 1 1   -1  11 o 105.7689 10.00609 271.1711       49.99618 289.1849       73.23441 255.4473       68.42128 108.4737 14.48314 101.8432 14.45825 6.630470       20.46466 
1 1 1 1   -1  12 o 319.2982 9.778543 2450.086       149.0963 2462.862       177.0946 2418.989       276.2933 319.7853 11.60269 315.1445 18.41829 4.640808       21.76823 
1 1 1 1   -1  13 o 90.01373 11.48529 197.7152       48.30213 227.8088       72.95929 174.2329       64.44868 95.82801 16.52152 83.50512 16.72687 12.32289       23.51061 
1 1 1 1   -1  14 o 289.7801 12.24179 2019.187       169.2164 2144.948       241.6073 1898.102       237.0733 297.8806 17.03626 280.0109 17.80138 17.86969       24.63988 
1 1 1 1   -1  15 o 431.2292 10.17240 4455.878       209.7201 4549.498       469.7297 4432.570       234.3768 433.0913 22.76607 429.8167 11.41584 3.274628       25.46793 
1 1 1 1   -1  16 o 81.92374 19.66337 168.2390       76.03465 104.1813       116.7098 215.4760       100.2220 72.11576 26.20020 92.60258 22.79368 -20.48682      34.72754 
1 1 1 1   -1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   -1  18 o 532.8392 12.38727 6811.901       315.5586 6996.297       360.7887 6211.675       650.9305 539.5499 13.99845 504.6472 27.07894 34.90271       30.48320 
1 1 1 1   -1  19 o 725.2476 25.18926 12794.14       872.0679 12579.80       1235.668 13006.83       1230.926 712.5022 36.39558 725.0596 35.61895 -12.55737      50.92492 
1 1 1 1   -1  20 o 326.3382 12.73029 2561.341       198.2352 2748.332       327.7754 2453.500       248.9187 336.4690 20.47309 318.7410 16.38974 17.72800       26.22539 
1 1 1 1   -1  21 o 718.2391 24.82089 12598.28       851.0237 13108.71       1206.989 12093.66       1200.099 725.2258 34.91398 695.4410 36.21994 29.78485       50.30775 
1 1 1 1   -1  22 o 198.0903 14.20224 950.2540       133.6094 950.3795       205.0972 950.1616       176.1039 196.2918 22.24672 197.1055 18.92003 -0.8137054     29.20418 
1 1 1 1   -1  23 o 355.2863 12.77470 3044.144       216.6358 3198.151       374.2604 2966.544       265.6662 361.1995 21.77408 349.8723 15.92423 11.32721       26.97577 
1 1 1 1   -1  24 o 192.9330 14.54856 904.9807       133.2058 865.4274       205.1228 933.8250       175.1669 186.1297 23.57934 194.8587 19.04575 -8.729034      30.31050 
1 1 1 1   -1  25 o 251.0757 14.11199 1530.320       168.7135 1477.005       253.4396 1572.750       226.0898 244.0191 21.95874 253.0574 18.82239 -9.038239      28.92177 
1 1 1 1   -1  26 o 88.22076 28.26822 194.1622       134.9108 433.2371       176.7274 -139.7460      208.8577 128.5481 29.39694 63.69657 29.39803 64.85156       41.57433 
1 1 1 1   -1  27 o 132.0469 20.22215 438.1895       123.6042 333.8396       225.0568 483.2599       147.9081 112.9665 36.53977 137.7988 23.27953 -24.83234      43.32541 
1 1 1 1   -1  28 o 282.9740 14.88923 1953.100       200.7226 1710.164       300.0646 2149.843       270.0336 260.3826 24.38810 294.9830 19.25272 -34.60037      31.07164 
1 1 1 1   -1  29 o 158.8791 26.03325 653.1617       190.9016 495.1357       327.7583 734.2949       234.8491 132.5237 44.16239 166.3925 30.65113 -33.86876      53.75694 
1 1 1 1   -1  30 o 61.25996 24.70264 50.82394       111.3952 24.36203       192.4842 64.14967       136.5936 72.54071 31.08275 67.62096 27.32339 4.919754       41.38485 
1 1 1 1   -1  31 o 133.2673 24.00704 460.4553       147.3325 265.2854       350.3395 502.3882       162.3905 109.9321 43.98788 138.7344 25.41966 -28.80222      50.80446 
1 1 1 1   -1  32 o 143.3186 20.53770 523.4024       136.7055 129.6009       229.3871 740.3053       170.2405 86.70152 35.27084 170.4751 21.35510 -83.77363      41.23194 
1 1 1 1   -1  33 o 63.13641 25.25496 63.90833       115.4442 -50.49096      194.4321 126.1983       143.4715 65.35793 29.46172 75.96539 28.77143 -10.60746      41.17995 
1 1 1 1   -1  34 o 91.62768 30.95390 227.0181       160.9720 39.87161       212.4304 479.3944       246.6891 74.73486 32.34295 126.1001 37.88116 -51.36527      49.81013 
1 1 1 1   -1  35 o 84.33563 26.98703 194.0856       122.9896 180.7699       214.0785 200.6458       150.2622 87.16885 34.54709 86.10744 29.88242 1.061409       45.67779 
1 1 1 1   -1  36 o 129.4300 22.37603 454.1742       133.4532 611.1313       227.0294 371.3058       164.9628 140.2343 34.17881 111.4745 30.20706 28.75986       45.61423 
1 1 1 1   -1  37 o 150.8837 20.32040 609.5553       142.8598 726.4676       240.7522 546.0165       177.4842 151.2645 34.10760 136.2591 28.17588 15.00533       44.24035 
1 1 1 1   -1  38 o 77.04688 27.54995 176.0854       128.4325 102.8726       227.8490 210.1799       155.4878 74.21601 32.76919 82.24301 30.18458 -8.027000      44.55254 
1 1 1 1   0   0  o 253.0415 1.538328 1530.694       18.61011 11.92174       25.88570 3155.504       26.77411 30.39891 12.02409 363.3138 1.541433 -332.9149      12.12249 
1 1 1 1   0   1  o 136.7229 4.018863 447.4207       26.24104 5.852555       36.52011 918.7404       37.73036 33.37380 13.87530 196.0047 4.026393 -162.6309      14.44769 
1 1 1 1   0   2  o 241.6893 3.431777 1396.770       39.65380 -1.706878      54.23391 3003.178       58.12608 38.71802 16.54237 354.3932 3.430657 -315.6752      16.89436 
1 1 1 1   0   3  o 242.8122 10.74632 1416.291       124.4404 1354.285       175.9054 1478.410       176.0654 236.7713 15.62704 247.5346 14.94714 -10.76329      21.62456 
1 1 1 1   0   4  o 168.6778 9.268852 683.6830       74.45943 688.2983       105.2607 679.0606       105.3425 168.8072 13.14626 167.6499 13.25059 1.157333       18.66554 
1 1 1 1   0   5  o 677.7162 10.47054 11010.34       339.2542 11055.23       358.9037 10633.68       1039.563 678.9863 11.05627 656.9176 33.20799 22.06873       35.00017 
1 1 1 1   0   6  o 85.28545 9.213727 176.2694       36.97238 204.4223       55.14682 153.2832       49.83016 91.37626 12.98891 78.76154 13.73236 12.61472       18.90210 
1 1 1 1   0   7  o 259.0771 7.402250 1608.153       91.59162 1598.557       129.9543 1617.624       129.1101 257.9982 10.55806 259.5497 10.42596 -1.551483      14.83823 
1 1 1 1   0   8  o 666.7177 23.09787 10809.47       735.1327 10731.51       1039.817 10887.36       1039.453 658.4320 33.13873 663.3850 32.87652 -4.953003      46.68020 
1 1 1 1   0   9  f 116.8383 9.540407 329.5528       52.82827 280.9319       75.57321 376.0152       73.87660 106.9211 15.21288 124.4398 12.59069 -17.51875      19.74733 
1 1 1 1   0   10 f 194.3500 10.24179 909.6807       94.82727 882.7546       135.0760 935.8469       133.1567 190.6410 14.93942 196.4552 14.27460 -5.814163      20.66279 
1 1 1 1   0   11 o 282.5360 9.439857 1919.177       127.3319 1965.107       154.7005 1822.700       224.2093 285.5384 11.35496 273.5072 17.23416 12.03119       20.63859 
1 1 1 1   0   12 o 168.6131 10.10049 685.5071       81.04884 742.1276       116.4122 632.2435       112.9088 174.7853 14.04935 161.0848 14.82728 13.70049       20.42627 
1 1 1 1   0   13 o 41.44784 14.76151 35.56450       36.83528 51.19146       56.38653 23.93100       48.65117 50.36805 18.22362 41.86701 16.50790 8.501041       24.58884 
1 1 1 1   0   14 o 183.5158 10.13930 810.0636       88.61327 1005.126       130.1474 641.4874       120.9894 204.0526 13.41531 162.4426 15.77747 41.60999       20.70988 
1 1 1 1   0   15 o 73.66830 14.44224 134.8718       49.04653 101.3770       74.24699 160.8042       65.33002 65.50948 20.96872 80.18074 17.53229 -14.67126      27.33255 
1 1 1 1   0   16 o 203.1528 11.06898 992.1682       107.1014 998.5272       154.3361 986.2614       148.7469 203.1808 16.01772 201.9939 15.52180 1.186981       22.30457 
1 1 1 1   0   17 o 434.2872 16.36915 4542.064       339.2606 4803.917       483.0421 4287.153       476.5966 445.1313 22.77374 420.1620 23.82369 24.96933       32.95772 
1 1 1 1   0   18 o 710.0199 24.48772 12236.66       829.9973 12601.38       1175.949 11874.60       1171.650 715.2422 34.49125 693.6904 35.44590 21.55188       49.45764 
1 1 1 1   0   19 o 194.8802 17.68199 922.3729       162.9518 1069.826       256.4439 822.5171       211.0338 208.1588 26.35857 182.4814 24.83314 25.67741       36.21407 
1 1 1 1   0   20 o 119.8409 18.48257 354.4168       102.4943 519.9612       162.3313 244.6720       132.1713 144.4143 24.37868 98.62514 27.16739 45.78913       36.50188 
1 1 1 1   0   21 o 194.6935 15.99233 919.4542       147.5467 1017.413       201.6862 806.6634       216.4168 203.8524 20.99422 180.0817 25.87939 23.77069       33.32417 
1 1 1 1   0   22 o 401.2528 11.91088 3872.893       228.2388 4200.035       278.2458 3200.044       399.0426 417.3885 13.96342 361.4832 23.21262 55.90530       27.08879 
1 1 1 1   0   23 o 325.2201 13.20028 2552.210       204.8168 2628.853       331.0731 2504.690       260.6905 327.6685 21.24854 321.1739 17.03857 6.494598       27.23625 
1 1 1 1   0   24 o 374.6036 13.78988 3392.428       246.5466 3709.766       332.8320 3006.577       367.0070 390.2863 17.88502 349.5556 22.07360 40.73068       28.40981 
1 1 1 1   0   25 o 220.8812 14.06561 1184.951       147.7623 1666.374       227.8036 835.2856       194.1440 260.7363 18.39275 182.8106 22.70090 77.92575       29.21684 
1 1 1 1   0   26 o 191.5923 15.38703 897.0464       139.7581 566.2073       214.2993 1141.897       184.3583 146.5844 31.51666 215.4769 18.06195 -68.89255      36.32539 
1 1 1 1   0   27 o 269.8412 14.39843 1771.552       185.0788 1947.090       277.1944 1630.345       248.6137 280.3180 20.83248 256.5568 20.43787 23.76117       29.18387 
1 1 1 1   0   28 f 123.4752 24.66076 393.8908       140.4790 139.9777       194.2093 672.5336       203.4471 85.63508 33.20913 161.1458 27.38636 -75.51075      43.04485 
1 1 1 1   0   29 o 72.38055 27.31747 104.8276       129.0739 -252.0522      315.6087 176.5061       141.4433 74.11248 34.84052 85.02212 29.01199 -10.90964      45.33825 
1 1 1 1   0   30 o 156.3593 22.43745 623.2052       162.9287 612.5686       214.6887 637.6514       250.1979 151.1364 30.75937 151.9749 35.13742 -0.8384399     46.69879 
1 1 1 1   0   31 o 113.2925 24.08832 335.4721       126.4511 -21.92117      207.0748 547.9922       159.6813 70.76141 31.24192 145.7610 23.72971 -74.99959      39.23209 
1 1 1 1   0   32 o 65.42638 28.19452 11.55472       160.0867 -102.4800      209.9918 169.7921       247.3651 65.05006 29.82290 92.62690 36.99623 -27.57684      47.51974 
1 1 1 1   0   33 o 200.7535 16.36864 1003.768       155.7405 1311.846       247.5117 801.8473       200.3807 225.2689 23.31870 174.8925 24.64762 50.37637       33.93033 
1 1 1 1   0   34 o 84.60542 30.62800 180.4241       159.3019 292.8582       204.3562 6.279226       254.3278 101.9924 34.87059 77.48238 34.39526 24.51000       48.97951 
1 1 1 1   0   35 o 85.39151 27.60111 198.1832       128.4283 514.1339       219.7271 34.23668       158.2796 131.3815 34.53411 65.79778 28.18963 65.58368       44.57869 
1 1 1 1   0   36 o 101.8296 29.62464 305.9821       152.8667 264.8040       368.7479 314.5274       167.9810 98.98900 42.72523 102.2965 31.36968 -3.307465      53.00474 
1 1 1 1   0   37 o 129.9048 23.85193 470.7780       142.6775 528.0744       237.5877 438.4604       178.4348 124.8090 37.10098 119.3308 31.00062 5.478218       48.34792 
1 1 1 1   0   38 o 113.8332 29.09500 405.1263       158.9217 193.3268       392.9017 446.5561       173.7711 87.57778 40.38465 118.2290 30.53147 -30.65125      50.62698 
1 1 1 1   1   0  o 102.6966 4.655349 252.7682       22.79742 511.9690       32.39772 -1.459347      32.08541 146.2326 4.639935 29.72173 12.71186 116.5108       13.53220 
1 1 1 1   1   1  o 262.3086 2.726524 1645.079       34.19245 9.467223       46.28327 3610.337       50.73338 37.97234 15.68850 388.5912 2.730817 -350.6188      15.92440 
1 1 1 1   1   2  o 242.7906 3.380306 1409.516       39.23704 6.677860       53.66759 3020.458       57.51063 40.04443 16.74750 355.4128 3.384595 -315.3683      17.08608 
1 1 1 1   1   3  o 341.4836 6.952955 2791.000       113.5135 2635.631       160.1584 2947.828       160.9089 331.4587 10.11861 350.6172 9.608335 -19.15851      13.95372 
1 1 1 1   1   4  o 199.3546 9.866957 954.7181       93.74892 960.6522       132.4930 948.7683       132.6691 199.4826 13.98100 198.2235 14.09117 1.259140       19.85018 
1 1 1 1   1   5  o 516.5884 9.605905 6394.440       237.2419 6462.164       256.8959 6001.961       618.4406 519.2175 10.34903 496.0552 26.16970 23.16235       28.14170 
1 1 1 1   1   6  o 335.4025 13.19180 2705.344       211.1208 2677.454       298.5666 2733.235       298.5732 332.6294 18.85184 336.1298 18.65271 -3.500397      26.52009 
1 1 1 1   1   7  o 476.2017 9.559453 5433.847       217.6368 5501.820       238.2434 5091.125       534.9639 479.0648 10.40204 457.2388 24.56236 21.82599       26.67418 
1 1 1 1   1   8  o 672.2740 22.98349 10984.81       737.6180 9771.108       1042.740 12200.43       1043.559 627.2557 34.90919 703.7797 31.09175 -76.52399      46.74771 
1 1 1 1   1   9  o 115.2144 9.859611 320.6966       53.78787 335.0934       78.59270 308.0120       73.77110 117.1255 14.33368 112.2711 14.05072 4.854424       20.07180 
1 1 1 1   1   10 o 193.6248 10.24642 902.7535       94.51327 807.3049       133.3302 999.1579       133.9961 182.1977 15.45216 203.1367 13.88075 -20.93907      20.77124 
1 1 1 1   1   11 o 259.0457 11.58439 1618.330       143.1060 1622.557       202.0858 1614.079       202.6805 258.2373 16.45407 257.5330 16.54914 0.7042847      23.33689 
1 1 1 1   1   12 o 55.82811 19.04093 70.21570       60.92487 126.8328       85.62128 12.14883       86.71059 72.03487 22.44884 50.69040 21.24982 21.34447       30.91125 
1 1 1 1   1   13 o 138.4781 11.19872 463.8523       73.50891 399.9285       110.5373 514.5375       98.42789 127.0792 18.75704 145.3772 14.34852 -18.29798      23.61581 
1 1 1 1   1   14 o 128.3464 11.98413 399.0291       72.68568 330.3948       114.3616 445.5450       94.14793 114.8848 21.61444 135.2463 14.80198 -20.36157      26.19700 
1 1 1 1   1   15 f 74.62142 16.96391 139.3931       59.14436 263.6347       108.7838 87.25650       70.46968 102.3666 22.81148 61.67929 20.47534 40.68733       30.65294 
1 1 1 1   1   16 o 189.6549 11.19641 865.2317       101.0682 909.5888       147.5858 826.0593       138.6925 193.8484 16.06906 184.7019 15.85967 9.146530       22.57751 
1 1 1 1   1   17 o 292.2348 12.11899 2051.737       168.9520 2262.774       253.6793 1883.507       226.4937 306.1353 17.40428 279.2750 17.04468 26.86032       24.36042 
1 1 1 1   1   18 o 693.2521 23.97840 11658.82       793.5341 12115.94       1123.892 11204.39       1120.569 701.8378 33.59249 674.1158 34.88797 27.72198       48.43166 
1 1 1 1   1   19 o 287.5824 13.61182 1990.620       186.6175 2172.180       271.8061 1828.710       256.6772 299.4796 19.08310 274.5626 19.68471 24.91693       27.41628 
1 1 1 1   1   20 o 107.2279 24.78805 290.4165       124.5319 520.6400       156.4174 -108.1398      205.8047 144.7367 23.40296 66.49422 30.11020 78.24252       38.13558 
1 1 1 1   1   21 o 151.3153 18.66806 561.3411       132.1884 460.8582       261.3556 595.8820       153.2330 134.0622 38.65712 155.4381 21.16950 -21.37598      44.07404 
1 1 1 1   1   22 o 414.3927 12.26520 4131.501       242.7263 4061.945       286.3281 4309.151       457.5917 410.3309 14.61894 419.9071 22.88024 -9.576141      27.15177 
1 1 1 1   1   23 o 320.8836 14.45645 2488.954       221.2080 2618.848       320.4471 2370.707       305.7415 327.3327 20.58081 311.3535 20.65642 15.97922       29.15917 
1 1 1 1   1   24 o 312.4296 14.49373 2363.610       215.9015 2420.896       313.4965 2311.927       297.7716 314.0193 21.00255 307.0703 20.39888 6.948975       29.27835 
1 1 1 1   1   25 o 354.1468 12.79695 3031.576       216.3134 3041.982       328.3953 3023.601       287.4951 352.1669 19.58184 352.1486 17.12776 0.1831055E-01  26.01554 
1 1 1 1   1   26 o 221.1668 14.50233 1190.887       152.4977 1287.610       227.7916 1112.331       205.2882 227.7486 21.16270 211.7874 20.53203 15.96115       29.48600 
1 1 1 1   1   27 o 174.8452 19.12924 758.4234       157.2976 944.9573       207.7642 507.9095       240.7729 193.9843 22.83967 136.8541 36.23438 57.13020       42.83201 
1 1 1 1   1   28 o 131.6500 23.22378 443.1919       140.8305 17.14858       308.4126 555.4293       158.2975 88.90141 38.71776 147.7559 23.17017 -58.85452      45.12119 
1 1 1 1   1   29 o 122.5389 22.04077 384.1656       124.3776 -74.24568      197.1065 687.4664       160.3282 65.46777 29.57336 165.3544 20.73556 -99.88667      36.11852 
1 1 1 1   1   30 o 81.91800 26.70450 168.7257       120.0758 -32.10622      196.4700 288.4678       151.7062 68.32294 30.28532 103.9563 29.28229 -35.63333      42.12663 
1 1 1 1   1   31 o 170.2476 20.72293 732.4135       165.2005 553.5732       349.6349 783.8152       187.4437 136.9677 45.61164 175.1759 22.93149 -38.20822      51.05169 
1 1 1 1   1   32 o 79.31629 27.44834 153.3979       126.7405 274.6492       215.8254 89.57610       156.5827 102.3713 35.79508 73.55327 29.41566 28.81802       46.33108 
1 1 1 1   1   33 o 147.8414 20.61382 560.6018       141.7447 665.0998       225.3876 492.2312       182.3102 154.8682 31.51438 133.9764 29.28207 20.89183       43.01855 
1 1 1 1   1   34 o 91.71963 28.63987 229.6777       139.2861 -162.3505      352.0416 302.4358       151.6616 79.38880 37.15303 104.1196 29.26028 -24.73080      47.29177 
1 1 1 1   1   35 o 102.0754 27.20551 290.0405       135.1668 16.59422       223.6724 447.3451       169.6473 73.60726 32.48536 126.2782 28.74742 -52.67093      43.37871 
1 1 1 1   1   36 o 78.00408 28.02103 161.3513       133.0273 197.0164       225.0123 142.1877       164.9389 87.67008 35.19357 77.50559 30.44543 10.16449       46.53506 
1 1 1 1   1   37 o 141.1044 23.18010 549.4341       150.9487 460.3029       249.9244 600.6204       189.3958 114.7182 38.56912 142.7438 28.74798 -28.02555      48.10430 
1 1 1 1   1   38 o 88.68584 29.13501 245.3307       142.8029 157.1189       248.7130 288.7132       174.4183 80.40598 34.89584 93.73714 32.21008 -13.33116      47.48904 
1 1 1 1   1   39 o 62.22856 27.31420 53.60722       156.1436 -431.8942      418.1241 132.2857       168.3208 65.62939 32.75303 71.16575 29.70364 -5.536354      44.21614 
1 1 1 1   2   0  o 282.3969 11.57929 1916.084       156.0012 2135.539       220.6442 1696.728       220.5939 297.5673 15.56364 264.8110 17.52260 32.75632       23.43648 
1 1 1 1   2   1  o 261.1320 5.802015 1631.455       72.43482 1995.142       112.6378 1374.994       94.58698 288.5368 8.173582 239.4811 8.273792 49.05569       11.63027 
1 1 1 1   2   2  o 280.1112 11.64705 1885.373       155.6346 1850.845       220.0730 1919.919       220.1281 276.7690 16.70970 281.9585 16.40063 -5.189514      23.41356 
1 1 1 1   2   3  o 157.9072 7.717954 598.3848       58.08914 606.5221       73.24227 584.5873       95.37209 158.8024 9.693264 155.5148 12.94475 3.287689       16.17176 
1 1 1 1   2   4  o 68.76366 8.368007 114.8997       26.94419 83.62560       37.07224 149.9181       39.22882 57.85642 13.62854 78.35124 10.75610 -20.49482      17.36177 
1 1 1 1   2   5  o 268.5288 8.499791 1728.637       108.9834 1673.586       204.3232 1750.527       128.8415 263.1963 16.31814 270.0783 9.995576 -6.881958      19.13618 
1 1 1 1   2   6  o 122.8386 8.912694 363.3332       51.98620 337.2294       72.93332 390.2936       74.12023 117.7857 13.17722 126.9327 12.37070 -9.147026      18.07410 
1 1 1 1   2   7  o 554.9772 19.56207 7448.382       518.2252 7398.374       732.7569 7498.423       733.0055 549.8207 27.96787 553.6191 27.78293 -3.798462      39.42199 
1 1 1 1   2   8  o 690.6542 23.81247 11613.62       785.0969 12089.34       1110.510 11138.26       1110.079 698.6329 33.34422 669.4884 34.80135 29.14447       48.19720 
1 1 1 1   2   9  f 241.9542 11.00768 1408.438       126.9984 1569.443       180.1429 1249.349       179.0676 254.7904 14.85295 226.8877 16.62350 27.90273       22.29240 
1 1 1 1   2   10 f 170.4870 9.999879 700.3051       81.14903 746.8298       115.0878 654.3034       114.4390 175.4684 13.83074 163.9970 14.75340 11.47131       20.22257 
1 1 1 1   2   11 o 28.55097 12.42767 -5.714148      31.73944 41.05624       44.92054 -52.34241      44.85223 45.02732 16.26907 27.38354 12.95236 17.64378       20.79534 
1 1 1 1   2   12 o 235.2605 11.19909 1334.518       125.6005 1366.560       177.8169 1302.613       177.4356 237.0835 15.77762 231.3544 16.14314 5.729095       22.57286 
1 1 1 1   2   13 o 225.7116 11.13928 1227.292       119.8328 1166.805       169.6598 1287.507       169.2791 219.0897 16.31464 230.3894 15.45799 -11.29970      22.47481 
1 1 1 1   2   14 f 280.7898 12.25100 1897.520       164.0645 2000.932       232.4607 1794.885       231.5862 287.4736 16.98964 272.0207 17.90707 15.45288       24.68423 
1 1 1 1   2   15 o 72.43066 18.06053 131.4143       62.32296 97.96356       74.69932 208.0300       113.0505 64.74701 21.05967 91.14084 25.13331 -26.39383      32.79013 
1 1 1 1   2   16 o 305.3969 11.06438 2238.634       161.2805 2630.933       282.0652 2048.076       196.5866 330.0672 17.94216 291.7054 14.13828 38.36179       22.84321 
1 1 1 1   2   17 o 103.8833 23.98268 271.6308       116.7005 269.3842       138.2240 277.2071       217.7680 103.4475 27.48422 108.4763 35.99321 -5.028831      45.28679 
1 1 1 1   2   18 o 240.0684 13.88974 1388.620       158.7374 826.5791       252.6215 1755.323       204.0531 181.7269 30.13143 269.7050 15.89556 -87.97810      34.06717 
1 1 1 1   2   19 o 751.9628 13.37354 13578.40       480.7854 13377.54       513.2834 15015.67       1373.004 746.1130 14.38945 778.2924 37.00552 -32.17938      39.70472 
1 1 1 1   2   20 o 414.5063 13.98577 4134.138       276.7600 3776.847       336.1559 4885.883       487.6016 395.3516 17.83069 448.3014 22.82540 -52.94983      28.96433 
1 1 1 1   2   21 o 207.7087 14.23834 1042.631       140.5360 1170.274       209.9686 939.0421       189.1531 218.9516 20.28924 195.8877 20.50076 23.06384       28.84328 
1 1 1 1   2   22 o 582.1681 12.64004 8150.258       351.8076 8690.388       838.1431 8034.742       387.6063 592.5641 29.67968 577.6267 14.03574 14.93744       32.83116 
1 1 1 1   2   23 o 256.5284 13.90574 1591.110       169.9070 1840.164       253.1360 1386.910       229.2110 274.5135 19.41298 237.8732 20.35025 36.64038       28.12466 
1 1 1 1   2   24 o 177.0797 15.39921 764.3035       129.0743 1028.019       200.0747 576.3019       168.9294 204.1141 20.79269 151.2837 24.16930 52.83040       31.88246 
1 1 1 1   2   25 o 337.9579 15.05226 2773.093       242.5949 2900.637       352.0808 2657.804       334.7378 342.8994 21.58622 328.2443 21.44788 14.65512       30.42986 
1 1 1 1   2   26 o 114.1998 32.39621 344.1093       185.0162 469.8926       294.1389 261.7616       237.9943 131.7761 41.68512 104.7561 37.49786 27.02008       56.06906 
1 1 1 1   2   27 o 110.2194 22.90260 311.7931       116.7387 608.9094       187.0062 122.0817       149.4305 153.8548 26.37213 78.04598 29.40659 75.80886       39.49984 
1 1 1 1   2   28 o 286.4771 14.73594 2001.163       201.1474 2293.369       297.0279 1753.646       273.3729 303.9749 20.55956 265.0430 21.76560 38.93185       29.94056 
1 1 1 1   2   29 o 188.6961 16.34649 877.2321       146.0141 1080.490       223.7271 726.4165       192.7160 206.7258 23.02726 168.3722 24.67271 38.35364       33.74904 
1 1 1 1   2   30 o 290.4609 16.08659 2073.798       222.5157 2413.608       363.5295 1870.204       281.3869 307.6843 24.92629 272.6923 21.76403 34.99203       33.09068 
1 1 1 1   2   31 o 95.18948 31.26778 236.2409       164.4774 237.4278       211.1785 234.4108       262.2388 97.74487 35.28045 100.8099 38.72306 -3.065010      52.38498 
1 1 1 1   2   32 o 148.7860 20.99505 564.1360       145.1977 995.6747       244.0809 327.7856       180.6351 195.0346 26.89159 109.3754 32.30884 85.65926       42.03592 
1 1 1 1   2   33 f 78.52429 28.38830 147.5929       136.7968 -47.13292      234.4291 248.1341       168.4502 71.83929 32.36982 95.81220 31.65123 -23.97291      45.27257 
1 1 1 1   2   34 o 84.68766 29.38549 186.7375       145.3038 -376.1618      368.8662 290.1277       158.0859 72.76611 35.13836 101.7591 30.26711 -28.99303      46.37674 
1 1 1 1   2   35 o 146.2843 20.88860 557.6863       141.9445 466.3288       238.6954 607.6683       176.5542 123.2958 37.31166 149.9128 25.54904 -26.61699      45.22072 
1 1 1 1   2   36 o 70.16005 27.07483 112.3171       128.6197 -138.1085      225.7653 232.6530       156.5004 62.30799 29.34582 89.84605 30.51962 -27.53806      42.33939 
1 1 1 1   2   37 o 123.8601 27.96688 452.0448       161.6764 1023.648       427.3134 356.5474       174.6607 152.7621 50.40905 106.5634 31.84287 46.19863       59.62416 
1 1 1 1   2   38 f 50.98951 24.77377 -217.8817      190.6799 -256.4070      266.9596 -177.7559      272.4482 59.69484 29.07337 63.39341 30.50818 -3.698570      42.14273 
1 1 1 1   2   39 o 83.74176 29.89352 232.8433       151.1479 715.8986       285.4771 44.68559       178.1697 129.3980 41.08324 63.66914 28.49099 65.72884       49.99569 
1 1 1 1   3   0  o 394.6660 6.965700 3728.023       131.4325 3771.167       185.8526 3684.859       185.8947 396.7017 9.799326 391.9986 9.927133 4.703064       13.94901 
1 1 1 1   3   1  o 218.4217 6.955322 1143.006       72.53831 1220.509       149.0242 1118.941       83.03964 224.9757 13.92343 216.0242 8.054449 8.951431       16.08527 
1 1 1 1   3   2  o 268.8254 11.23783 1736.121       144.1128 1544.669       203.6411 1928.195       203.9717 252.7123 16.95315 282.7795 15.14260 -30.06718      22.73120 
1 1 1 1   3   3  o 399.3747 9.049097 3820.821       172.7803 3818.295       191.5700 3831.834       400.0386 399.0190 10.05012 397.5474 21.12352 1.471558       23.39248 
1 1 1 1   3   4  o 248.4013 10.95292 1482.402       129.7546 1518.548       183.3546 1446.141       183.6473 250.8171 15.36439 244.6751 15.78372 6.141983       22.02703 
1 1 1 1   3   5  o 234.0858 10.64305 1316.405       118.7988 1408.082       168.0216 1224.761       167.9921 241.6007 14.61485 225.0975 15.70883 16.50311       21.45603 
1 1 1 1   3   6  o 416.5058 7.319142 4152.886       145.7436 4196.859       205.4729 4108.360       206.7584 418.4115 10.27171 413.8239 10.45893 4.587524       14.65937 
1 1 1 1   3   7  o 112.2763 9.206353 304.1111       48.98423 301.6349       69.51266 306.5536       69.03810 111.2554 13.33408 112.2056 13.11683 -0.9502029     18.70424 
1 1 1 1   3   8  o 319.9373 12.91788 2464.697       197.1836 2588.254       278.4613 2340.430       279.2598 326.8016 17.89090 310.4643 18.90391 16.33728       26.02772 
1 1 1 1   3   9  o 115.9185 10.25848 325.0726       56.26555 338.6264       74.43417 307.0030       85.94420 117.8389 13.45294 111.5232 16.62651 6.315750       21.38743 
1 1 1 1   3   10 o 34.28297 13.17727 18.84402       30.38099 -3.278248      41.43493 44.56549       44.67861 33.39202 14.36641 45.95259 16.26817 -12.56057      21.70362 
1 1 1 1   3   11 o 266.1884 11.75773 1709.589       149.2615 1758.548       211.0524 1660.597       211.1230 268.7889 16.50325 261.0213 17.01076 7.767548       23.70070 
1 1 1 1   3   12 o 87.66123 11.87522 188.2625       48.49012 157.5930       68.64615 218.8058       68.50484 78.98683 18.50435 93.85959 15.82880 -14.87276      24.35081 
1 1 1 1   3   13 o 537.9075 19.22601 7026.753       493.6352 7199.056       698.3950 6854.734       697.8165 540.3162 27.12288 526.7960 27.80552 13.52020       38.84324 
1 1 1 1   3   14 o 162.5683 11.26486 637.2161       87.01132 756.5771       121.0053 509.4212       125.2075 176.7630 14.44458 144.0652 18.61327 32.69781       23.56055 
1 1 1 1   3   15 o 456.8134 16.75007 5029.662       365.1975 5432.462       517.2036 4629.146       515.7341 473.1038 22.93467 436.0587 24.84121 37.04504       33.80954 
1 1 1 1   3   16 o 266.3170 12.19498 1704.710       154.8582 1860.503       219.8653 1551.339       218.1500 277.6147 16.64195 253.1637 18.14407 24.45103       24.62036 
1 1 1 1   3   17 o 285.9507 13.26722 1966.762       180.8815 2178.688       271.1770 1796.895       242.7820 300.0563 19.00107 272.4329 18.75455 27.62347       26.69782 
1 1 1 1   3   18 o 102.0550 25.20679 262.7148       122.2527 304.8382       242.5036 248.3616       141.5569 113.6721 37.98930 99.67439 28.35760 13.99775       47.40612 
1 1 1 1   3   19 o 280.5064 14.31346 1895.780       191.3188 1577.714       271.0495 2211.585       270.0844 254.2724 22.52965 302.2119 18.78592 -47.93945      29.33421 
1 1 1 1   3   20 o 787.7636 27.24830 15165.46       1024.683 14967.97       1449.531 15362.72       1448.709 773.5532 39.32387 784.2014 38.76083 -10.64819      55.21566 
1 1 1 1   3   21 o 433.8631 13.75947 4531.715       285.0449 4919.225       512.4043 4358.057       343.0190 448.8843 23.96330 424.6880 16.92820 24.19626       29.33946 
1 1 1 1   3   22 o 193.2558 18.10977 911.6939       165.3731 913.4052       208.1949 908.7682       272.2187 192.2033 23.12065 189.2469 31.17147 2.956390       38.81011 
1 1 1 1   3   23 o 391.7926 14.01917 3706.892       262.1720 4533.101       454.9882 3296.214       320.7794 430.1222 22.20098 368.1046 18.28473 62.01761       28.76134 
1 1 1 1   3   24 o 223.9409 14.68771 1217.614       156.3839 1129.573       234.0727 1288.593       210.1731 213.1388 23.35289 229.1260 19.36766 -15.98721      30.33914 
1 1 1 1   3   25 o 259.7839 14.60958 1639.625       180.7195 1680.936       267.2778 1604.832       245.2877 260.5844 21.64924 255.1179 20.27738 5.466476       29.66246 
1 1 1 1   3   26 f 305.3538 14.83357 2268.356       215.9017 2287.544       316.6603 2251.688       295.1370 303.5339 21.96986 301.8221 20.57640 1.711823       30.10087 
1 1 1 1   3   27 o 150.5555 22.42391 573.0162       156.4874 866.1989       206.2495 175.2691       240.2300 185.1134 23.85914 94.77020 36.88365 90.34319       43.92793 
1 1 1 1   3   28 o 440.6403 14.45853 4726.019       304.1784 5472.537       405.3479 3763.788       460.2007 471.9040 17.99960 386.2607 25.05580 85.64328       30.85091 
1 1 1 1   3   29 o 176.0014 20.23342 776.6473       167.1591 852.9979       342.8325 752.8349       191.4598 172.7420 41.93850 171.6772 23.98024 1.064789       48.31035 
1 1 1 1   3   30 o 260.8379 16.88826 1679.091       209.4706 2129.378       294.8759 1220.398       297.6154 291.2367 21.32583 215.1679 29.72458 76.06879       36.58335 
1 1 1 1   3   31 o 70.09513 27.13974 92.15494       129.5531 -237.4677      220.3587 266.2721       160.1557 59.20556 28.20635 99.80548 30.63486 -40.59992      41.64244 
1 1 1 1   3   32 o 124.5038 24.88294 407.9911       142.9299 503.6486       238.5600 354.4252       178.5180 133.0237 36.44164 113.5143 31.68974 19.50943       48.29320 
1 1 1 1   3   33 o 85.61352 32.41840 170.9446       182.1246 456.4807       238.7157 -226.7348      281.7196 124.6178 37.22413 68.40923 32.38824 56.20858       49.34201 
1 1 1 1   3   34 o 64.70185 27.76054 26.31930       153.9126 -50.12740      402.3700 39.42198       166.5813 89.16968 41.02806 68.06186 29.03319 21.10782       50.26159 
1 1 1 1   3   35 o 67.56016 27.01842 83.35162       132.0988 13.89348       247.0313 111.1673       156.3274 76.10516 33.83452 74.19978 29.48485 1.905388       44.87907 
1 1 1 1   3   36 o 68.63011 29.87828 40.61961       183.5202 -194.7779      252.9974 302.0316       266.6109 63.12723 30.11601 99.35926 38.80270 -36.23203      49.11847 
1 1 1 1   3   37 o 107.5487 30.41366 357.0987       163.3244 52.40169       444.4507 404.6678       175.6113 87.61984 41.23850 113.8918 31.29255 -26.27194      51.76715 
1 1 1 1   3   38 o 197.7229 19.04725 1046.821       177.8263 1300.230       309.7750 922.2711       217.1739 200.3687 33.52075 177.2700 26.43167 23.09872       42.68810 
1 1 1 1   3   39 o 46.52558 22.20720 -110.3622      137.9325 -253.2729      274.3285 -62.00906      159.5698 58.44151 28.67556 53.25853 24.95307 5.182976       38.01241 
1 1 1 1   4   0  o 226.0327 7.968114 1224.792       85.97164 1225.827       102.6722 1222.366       157.2612 225.9901 9.524227 225.0388 14.69734 0.9512939      17.51350 
1 1 1 1   4   1  o 278.0167 7.404837 1851.559       98.33495 1903.606       217.6013 1838.202       110.2328 280.7795 16.27999 276.9333 8.335312 3.846283       18.28977 
1 1 1 1   4   2  o 303.2965 7.535562 2202.153       109.2676 2101.573       248.9075 2226.163       121.6121 294.7934 17.74299 304.7808 8.353929 -9.987366      19.61127 
1 1 1 1   4   3  o 629.2441 21.81368 9593.568       655.2383 9595.838       926.5698 9591.298       926.7240 625.0175 31.10603 624.8622 31.11907 0.1552734      43.99979 
1 1 1 1   4   4  o 110.2755 7.745375 292.5964       40.57503 319.7990       56.69334 264.0313       58.09589 115.0276 10.42210 104.2318 11.86958 10.79584       15.79579 
1 1 1 1   4   5  o 558.7612 9.916325 7484.468       264.9021 7247.503       723.4805 7521.155       284.6707 543.8771 27.91729 560.0106 10.63257 -16.13348      29.87351 
1 1 1 1   4   6  o 276.7766 8.549267 1837.135       112.9914 1891.484       133.2498 1698.041       213.1718 280.6860 9.945444 264.8117 16.92637 15.87430       19.63196 
1 1 1 1   4   7  o 503.4826 9.896401 6080.611       238.2156 6051.731       258.4159 6243.968       614.6008 502.1270 10.76458 504.6928 25.55485 -2.565735      27.72953 
1 1 1 1   4   8  o 551.9431 19.59567 7406.432       516.2657 7492.235       729.8391 7320.501       730.3812 550.4886 27.82151 543.8924 28.18462 6.596252       39.60315 
1 1 1 1   4   9  o 274.7905 7.898247 1812.099       103.6549 1939.991       146.7663 1684.820       146.4148 283.8485 10.83501 264.3485 11.61344 19.50006       15.88299 
1 1 1 1   4   10 f 346.5788 10.01504 2889.207       165.7706 3222.392       333.6851 2780.034       191.0080 363.0511 19.29403 339.5570 11.78391 23.49408       22.60797 
1 1 1 1   4   11 o 221.6542 10.89383 1184.400       115.0886 1224.671       161.4739 1142.819       164.0771 224.5359 15.13043 216.6741 15.95098 7.861786       21.98554 
1 1 1 1   4   12 o 115.3680 10.63751 322.4131       58.01213 300.8987       79.72215 346.6270       84.57590 110.5724 15.50640 118.8760 15.23087 -8.303627      21.73540 
1 1 1 1   4   13 o 270.9600 9.873865 1763.245       127.6950 1773.367       157.3157 1743.695       218.6341 271.4138 12.15444 268.1998 17.14076 3.214050       21.01276 
1 1 1 1   4   14 o 206.6125 10.96206 1026.658       107.8947 1091.458       152.3600 961.4722       152.8133 212.4926 15.09579 199.1975 16.18542 13.29512       22.13257 
1 1 1 1   4   15 o 342.0764 10.35173 2806.853       169.1003 2844.903       200.8837 2714.328       313.2545 344.1566 12.22844 334.8818 19.65217 9.274780       23.14611 
1 1 1 1   4   16 o 588.6935 11.33066 8308.738       318.8989 8735.388       356.3560 6593.296       714.5557 603.4518 12.35188 519.4764 28.88520 83.97540       31.41534 
1 1 1 1   4   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   4   18 o 241.8652 14.93368 1411.491       171.8405 1172.844       255.8555 1607.608       231.9392 218.4497 24.94485 257.4849 18.97472 -39.03519      31.34143 
1 1 1 1   4   19 o 416.4540 16.34978 4182.103       324.8946 4270.137       461.0185 4095.242       457.9377 419.0270 23.10212 410.2252 23.44706 8.801849       32.91615 
1 1 1 1   4   20 o 304.3675 13.89615 2231.750       201.6758 1975.176       293.0565 2462.583       277.9668 284.6769 21.69573 318.8702 18.31052 -34.19324      28.38978 
1 1 1 1   4   21 o 297.4684 14.55379 2135.565       206.3503 2491.185       308.2971 1846.954       277.7364 319.9673 20.25774 275.0536 21.28617 44.91360       29.38498 
1 1 1 1   4   22 o 417.3453 13.80045 4200.625       274.9790 4419.965       478.5633 4092.516       335.9796 424.5318 23.67250 410.9524 17.13828 13.57941       29.22513 
1 1 1 1   4   23 o 290.1896 15.41531 2041.455       213.0991 2273.002       298.4959 1800.778       304.3238 304.6177 20.61775 269.8530 23.83323 34.76474       31.51371 
1 1 1 1   4   24 o 188.3985 19.22810 874.3803       170.7641 843.8077       212.2780 930.4445       287.4629 183.2447 24.87214 189.3581 32.94941 -6.113373      41.28301 
1 1 1 1   4   25 o 160.8922 19.27064 642.0001       145.2859 645.2061       202.8949 638.6265       208.1359 158.3716 27.81112 157.1830 28.75638 1.188583       40.00485 
1 1 1 1   4   26 o 198.8931 16.34185 969.9303       154.0229 1124.178       225.3398 834.6790       211.0083 211.9266 22.58820 181.3493 25.00205 30.57730       33.69465 
1 1 1 1   4   27 o 494.3955 18.50663 6004.849       436.6596 6860.611       625.4420 5191.061       609.9106 522.6603 25.10330 451.4442 28.40275 71.21609       37.90636 
1 1 1 1   4   28 o 232.1839 15.40581 1319.909       170.0442 1503.188       258.3522 1179.824       225.8660 244.7785 22.32186 216.7500 22.10543 28.02858       31.41522 
1 1 1 1   4   29 o 171.7887 17.78965 733.2216       143.9948 1197.056       230.7415 437.3675       184.2821 217.7167 22.49136 127.4986 30.61846 90.21812       37.99146 
1 1 1 1   4   30 o 171.0359 22.40232 745.5970       178.7854 898.7232       234.4119 532.6487       276.4343 185.4467 27.25165 136.1785 39.89974 49.26819       48.31813 
1 1 1 1   4   31 o 51.48259 23.35805 -58.02607      124.5833 98.57390       212.4600 -140.0898      153.8003 82.00447 33.71951 51.76939 24.33208 30.23508       41.58191 
1 1 1 1   4   32 o 84.27695 30.55142 169.6033       158.5777 238.9460       385.2069 155.4537       174.0062 108.3361 45.05412 83.73785 31.69229 24.59827       55.08425 
1 1 1 1   4   33 f 126.2191 37.29399 471.8295       240.6529 186.7886       400.1280 633.3719       301.2234 103.1338 44.51008 143.1265 41.56991 -39.99269      60.90324 
1 1 1 1   4   34 o 150.9397 22.41921 597.7885       156.8757 474.1633       257.0866 671.1289       198.0147 124.0898 38.93349 156.8575 27.40159 -32.76767      47.60949 
1 1 1 1   4   35 o 201.3103 18.84047 1037.437       179.2219 608.8067       288.1541 1307.859       228.8783 136.9954 40.89177 223.9100 21.65051 -86.91466      46.26966 
1 1 1 1   4   36 o 150.6898 29.18676 659.1564       202.6732 1023.910       273.1039 212.0337       302.3719 185.5450 31.93922 92.05323 39.18658 93.49178       50.55395 
1 1 1 1   4   37 f 59.84311 26.37488 16.04197       146.9686 536.9026       261.7138 -223.8691      177.6196 121.7363 39.40555 49.14313 23.88441 72.59317       46.07887 
1 1 1 1   4   38 o 122.9605 29.66913 477.1505       172.3951 1483.230       464.2238 316.2064       185.6729 175.7962 51.75928 96.17938 33.22548 79.61684       61.50574 
1 1 1 1   4   39 o 65.80126 29.75142 53.54196       200.0286 -126.3776      276.7328 250.3953       289.4628 62.96329 30.41217 83.28626 36.84707 -20.32297      47.77663 
1 1 1 1   5   0  o 627.7787 9.386086 9446.937       281.7082 7461.201       814.3459 9716.870       300.2455 549.5904 31.12001 636.5927 9.865214 -87.00226      32.64624 
1 1 1 1   5   1  o 708.8639 7.620984 12033.33       258.2749 12285.60       375.0572 11805.81       356.1850 715.5679 10.96322 701.5365 10.61981 14.03137       15.26344 
1 1 1 1   5   2  o 463.8644 9.278762 5157.377       205.7735 0.000000       0.000000 5157.377       205.7735 ?        ?        463.8644 9.278762 0.000000       9.278762 
1 1 1 1   5   3  o 179.1825 8.017767 770.6038       68.51033 773.8933       85.49950 764.7027       114.5142 179.3633 10.01032 177.8225 13.57244 1.540710       16.86469 
1 1 1 1   5   4  o 171.7224 9.395453 709.1149       76.84138 731.7083       108.5049 686.3834       108.8361 173.9599 13.14367 168.3796 13.63655 5.580276       18.93968 
1 1 1 1   5   5  o 87.92645 8.826167 187.1834       36.60099 199.2700       51.19927 174.5507       52.34293 90.25639 12.17551 84.14439 13.46524 6.112007       18.15367 
1 1 1 1   5   6  o 404.3852 15.15685 3951.002       292.5118 3993.055       413.3011 3908.798       414.0481 404.3950 21.45405 399.9844 21.73372 4.410614       30.53900 
1 1 1 1   5   7  o 190.5300 9.924441 874.1053       90.09029 879.8340       126.7377 868.2540       128.0869 190.4740 14.01566 189.1605 14.26854 1.313477       20.00075 
1 1 1 1   5   8  o 158.4839 9.034597 604.8619       68.17098 582.1259       89.15885 636.8607       105.7729 155.0041 12.12780 161.8635 13.79986 -6.859375      18.37170 
1 1 1 1   5   9  o 299.8873 7.716245 2158.051       110.5380 2207.370       154.2981 2106.053       158.4326 302.7699 10.67627 295.6158 11.23050 7.154083       15.49538 
1 1 1 1   5   10 o 302.9367 9.605124 2206.198       138.9357 2254.046       257.1409 2186.470       165.1115 304.1501 17.76105 301.2118 11.48666 2.938232       21.15179 
1 1 1 1   5   11 o 286.0268 12.22970 1971.989       166.8505 2044.455       234.9531 1898.265       236.9845 290.1349 17.01308 279.3124 17.84011 10.82248       24.65186 
1 1 1 1   5   12 o 363.4218 14.21218 3184.383       246.4574 3203.876       347.9151 3164.747       349.1751 362.9859 20.12699 360.6939 20.33096 2.292053       28.60845 
1 1 1 1   5   13 o 160.8195 11.16768 623.3817       85.33043 681.4747       126.1210 574.3404       115.8794 167.5010 15.94128 153.6339 16.01118 13.86711       22.59386 
1 1 1 1   5   14 o 646.7275 22.48069 10133.18       694.0303 10106.09       980.5471 10160.38       982.4699 641.4653 32.07502 643.2029 32.05038 -1.737610      45.34351 
1 1 1 1   5   15 o 502.1491 18.12958 6081.034       434.5258 6112.532       613.6595 6049.361       615.3685 501.2420 25.69350 498.5666 25.90573 2.675354       36.48647 
1 1 1 1   5   16 o 404.1720 15.76164 3933.615       303.9784 3881.959       427.9136 3986.236       431.8949 400.0035 22.46637 405.3813 22.37140 -5.377838      31.70516 
1 1 1 1   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   5   18 o 173.3616 17.32047 731.1118       141.6362 15.37418       228.1164 1180.140       180.6827 80.41099 34.12611 220.6715 17.26355 -140.2605      38.24424 
1 1 1 1   5   19 o 42.43511 19.72942 -86.16851      96.68810 12.94453       131.2948 -203.6082      142.9188 61.84270 26.05006 46.43123 22.28047 15.41146       34.27864 
1 1 1 1   5   20 o 382.0563 13.62526 3514.191       248.4761 3277.215       393.4976 3671.344       320.4437 366.6572 22.55698 389.6935 17.24237 -23.03629      28.39219 
1 1 1 1   5   21 o 155.7687 19.79724 597.4971       144.1064 620.1727       173.9069 547.8085       257.4340 157.7619 23.79673 144.9964 37.01481 12.76547       44.00433 
1 1 1 1   5   22 o 362.7613 13.47195 3175.190       233.2408 3682.174       310.8069 2521.615       352.8913 389.7320 16.71966 320.2223 23.20803 69.50977       28.60349 
1 1 1 1   5   23 o 401.9730 16.01430 3919.265       307.1447 4805.442       437.9097 3061.186       430.9113 443.0513 20.73138 351.0330 25.85773 92.01837       33.14230 
1 1 1 1   5   24 o 125.9758 20.83901 398.6526       121.1240 418.1583       174.9453 380.6940       167.8645 126.6615 29.44969 120.8321 29.35262 5.829399       41.57957 
1 1 1 1   5   25 o 142.4613 19.88000 506.9789       131.7185 829.8995       185.5771 179.1325       186.9872 182.2453 21.72636 90.24950 33.10477 91.99583       39.59748 
1 1 1 1   5   26 o 204.3850 16.06162 1023.674       155.6847 1126.331       220.9473 922.4455       219.4036 212.2115 22.10114 190.8138 24.62409 21.39769       33.08786 
1 1 1 1   5   27 o 88.72112 30.32014 191.8611       154.4976 609.0909       294.3088 33.14624       181.5199 147.5342 40.50018 72.18839 30.53037 75.34579       50.71852 
1 1 1 1   5   28 o 500.9637 12.20216 6077.343       292.2480 7059.306       420.1413 5156.823       406.7843 536.9230 16.38640 457.2121 18.64878 79.71085       24.82522 
1 1 1 1   5   29 o 457.3007 12.87650 5083.356       281.2390 4928.143       411.6790 5219.184       385.1128 445.6207 19.36973 460.1312 17.53855 -14.51056      26.13020 
1 1 1 1   5   30 o 108.8241 29.39426 319.7913       156.5049 640.3220       335.3239 230.5228       176.9615 146.3836 44.20765 94.78147 32.44806 51.60209       54.83788 
1 1 1 1   5   31 o 101.8238 30.37296 279.7150       159.0157 580.1343       348.3882 200.6585       178.7180 138.7137 45.50362 90.45661 32.48056 48.25709       55.90676 
1 1 1 1   5   32 o 71.90713 27.79877 101.8458       135.7672 -24.01584      223.0317 175.9419       171.1265 72.24838 32.13271 85.95142 31.64579 -13.70303      45.09953 
1 1 1 1   5   33 o 81.29243 30.88138 152.0743       165.5839 -3.119783      227.0325 328.4471       242.0283 73.40590 32.54619 107.2044 37.87182 -33.79845      49.93525 
1 1 1 1   5   34 f 207.0098 21.29345 1110.430       207.7371 920.3323       277.2049 1353.949       313.7460 178.4464 33.72812 220.2951 30.61591 -41.84865      45.55129 
1 1 1 1   5   35 o 70.25822 28.30161 93.19836       146.0523 -30.27364      242.7701 163.2354       182.8415 71.90837 32.61791 82.47990 32.15585 -10.57153      45.80312 
1 1 1 1   5   36 o 199.4122 19.41615 1043.700       182.7659 1218.168       291.2195 930.3303       234.7530 202.6674 31.04294 179.8020 28.23882 22.86545       41.96541 
1 1 1 1   5   37 o 147.6599 30.78834 671.6418       210.2982 1071.615       279.1942 147.1217       319.7218 184.8064 32.80087 84.73076 38.02161 100.0756       50.21494 
1 1 1 1   5   38 o 91.80801 32.51468 288.6572       178.4912 795.8514       448.3600 193.1380       194.5741 117.0915 48.64383 79.84309 32.48301 37.24841       58.49246 
1 1 1 1   5   39 o 66.74271 28.31826 108.1078       157.0116 334.7435       269.5317 -8.304471      193.1724 88.87151 37.37329 60.45270 28.03094 28.41882       46.71719 
1 1 1 1   6   0  f 213.5987 7.906424 1095.225       80.60033 1043.816       142.6042 1119.358       97.70310 207.4853 14.46657 215.7435 9.495709 -8.258240      17.30462 
1 1 1 1   6   1  o 320.8639 6.419566 2465.586       98.47701 2417.153       148.9654 2503.182       131.2464 317.1532 9.836336 322.9654 8.507488 -5.812134      13.00503 
1 1 1 1   6   2  o 386.4521 8.813647 3582.497       162.8395 0.000000       0.000000 3582.497       162.8395 ?        ?        386.4521 8.813647 0.000000       8.813647 
1 1 1 1   6   3  o 530.4096 8.945244 6750.194       226.8360 6913.616       654.8751 6727.914       241.8052 528.9688 25.97467 529.3953 9.553821 -0.4265137     27.67597 
1 1 1 1   6   4  o 474.7011 9.443130 5410.173       214.3111 5464.884       233.8308 5122.910       535.7982 476.9093 10.25552 455.5742 24.69221 21.33514       26.73726 
1 1 1 1   6   5  o 251.8559 11.14260 1528.724       133.8353 1615.582       189.1417 1441.627       189.4020 257.9863 15.40510 243.4070 16.37104 14.57930       22.47951 
1 1 1 1   6   6  o 245.9698 11.04698 1458.410       129.5758 1485.038       182.8459 1431.547       183.6525 247.2081 15.54962 242.6017 15.92215 4.606369       22.25546 
1 1 1 1   6   7  f 183.4017 9.928612 810.5732       86.73174 872.4599       121.6615 746.6183       123.6778 189.6650 13.50543 175.0910 14.91663 14.57391       20.12218 
1 1 1 1   6   8  o 311.7422 12.75905 2346.258       189.7595 2459.733       267.7103 2231.675       269.0152 317.7770 17.69098 302.3065 18.70481 15.47052       25.74569 
1 1 1 1   6   9  o 165.9724 9.480350 663.3376       74.91319 554.5482       101.8155 791.7498       110.6175 150.9510 14.27781 180.8578 12.87741 -29.90677      19.22716 
1 1 1 1   6   10 o 261.0193 10.05403 1637.504       125.2299 1892.365       215.1749 1506.963       153.9974 279.4729 16.17345 249.9313 12.93195 29.54167       20.70787 
1 1 1 1   6   11 o 90.43053 12.62182 200.2351       53.08427 198.4795       64.62103 203.8783       93.08935 89.48736 15.67537 89.89068 21.87199 -0.4033203     26.90913 
1 1 1 1   6   12 o 613.2562 21.51821 9114.850       629.9163 9430.016       890.1642 8798.729       891.5098 619.7413 30.13387 597.9721 31.29327 21.76923       43.44328 
1 1 1 1   6   13 f 461.8409 16.98247 5141.119       374.3358 5291.996       528.1237 4988.786       530.6671 466.7581 23.74459 452.8895 24.60114 13.86859       34.19095 
1 1 1 1   6   14 o 312.9953 9.001134 2348.140       134.5526 2211.142       183.1702 2508.707       198.3014 303.3140 12.65930 323.0849 12.86382 -19.77084      18.04815 
1 1 1 1   6   15 o 413.8143 12.50972 4112.239       247.2081 3939.212       430.2725 4197.498       302.0340 402.9641 22.42254 417.6430 15.15175 -14.67886      27.06188 
1 1 1 1   6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   6   17 o 426.3113 16.15757 4380.032       328.7188 3862.645       459.7423 4921.203       470.1908 398.2400 24.26202 450.4182 21.90047 -52.17822      32.68449 
1 1 1 1   6   18 o 115.1628 19.69474 329.1827       104.5412 314.0214       138.2442 349.4325       159.7678 111.3583 26.37547 117.2782 28.72614 -5.919914      38.99817 
1 1 1 1   6   19 f 235.8942 14.98915 1344.652       168.1708 1069.559       245.3803 1588.310       230.9352 208.0859 25.17677 255.6651 19.02988 -47.57918      31.55957 
1 1 1 1   6   20 o 246.0035 15.01690 1463.453       175.7745 1316.610       226.0935 1687.815       279.4706 232.0855 20.59005 262.4755 22.48744 -30.38995      30.48992 
1 1 1 1   6   21 o 228.2024 14.37043 1260.450       155.9867 1501.271       216.8526 1002.239       224.5455 248.1987 18.40597 201.0869 23.81871 47.11172       30.10167 
1 1 1 1   6   22 o 120.3584 20.91002 363.1504       115.9565 422.5268       157.1747 292.2345       171.7701 128.6048 26.44695 106.9110 31.48648 21.69379       41.11982 
1 1 1 1   6   23 o 166.7749 19.53042 687.7154       152.7761 1227.571       258.0898 396.5067       189.5545 221.5859 24.78657 123.0398 31.94585 98.54612       40.43404 
1 1 1 1   6   24 o 327.3987 14.51917 2602.233       226.6968 2838.360       336.9906 2407.047       306.3857 339.2307 20.87967 312.4161 20.62833 26.81467       29.35113 
1 1 1 1   6   25 o 377.5735 14.39069 3463.942       259.2960 3780.719       417.6441 3265.249       330.7658 390.0054 22.49437 364.3515 19.05477 25.65390       29.48018 
1 1 1 1   6   26 o 130.1619 31.78439 452.5510       196.0504 286.5206       279.9312 612.3854       274.6582 109.5729 40.45157 149.0128 38.33477 -39.43990      55.73046 
1 1 1 1   6   27 o 201.0357 18.87630 1003.075       179.3030 1148.144       220.7255 721.6115       307.4514 213.8869 21.89400 160.2470 40.20310 53.63989       45.77812 
1 1 1 1   6   28 o 248.4151 17.44712 1523.174       205.8921 1460.584       259.4739 1629.582       338.3196 240.5659 22.83405 250.4793 28.77381 -9.913391      36.73317 
1 1 1 1   6   29 o 150.5858 21.14865 576.2300       148.0659 527.2945       207.3989 627.0975       211.4536 139.0975 31.87209 153.0033 29.97983 -13.90578      43.75638 
1 1 1 1   6   30 o 103.4167 28.34686 287.6744       144.3015 184.4268       202.9952 393.1445       205.1683 90.29747 34.21786 118.8174 34.24740 -28.51992      48.41226 
1 1 1 1   6   31 o 110.1676 27.72894 327.2084       145.9189 545.9415       209.7921 122.2235       203.0920 140.7825 31.90933 82.99947 33.39481 57.78299       46.18895 
1 1 1 1   6   32 o 118.3242 26.53333 377.7619       146.3856 595.3352       224.8221 217.6339       192.8723 145.3325 33.09984 92.57518 33.67403 52.75734       47.21801 
1 1 1 1   6   33 o 98.69985 28.69810 270.6533       143.4901 334.3727       224.0361 226.3350       186.8417 107.3103 36.51482 92.29235 33.20175 15.01797       49.35270 
1 1 1 1   6   34 o 69.92662 29.96657 45.82647       178.9513 213.7546       222.3073 -263.2887      301.6144 91.56849 35.52475 68.01050 32.56414 23.55799       48.19161 
1 1 1 1   6   35 o 88.80004 29.45736 223.9146       145.8637 96.14678       230.4272 309.3444       188.4203 79.19044 33.97179 101.3425 33.47471 -22.15206      47.69318 
1 1 1 1   6   36 f 60.71952 26.38198 29.13902       142.4900 51.66511       237.1320 16.40929       178.2612 73.98704 33.00496 64.64886 28.74149 9.338181       43.76529 
1 1 1 1   6   37 o 76.19773 29.40661 160.4412       151.7350 10.72002       239.0725 261.4341       196.3511 69.87135 31.95346 89.88287 33.74244 -20.01152      46.47124 
1 1 1 1   6   38 o 174.0287 33.86409 1036.038       271.6103 1078.832       440.9738 1009.879       344.7713 135.1240 50.59999 150.4264 44.68721 -15.30240      67.50782 
1 1 1 1   7   0  o 199.4194 9.764204 957.4045       92.80904 916.3162       131.0472 998.7503       131.4574 194.3092 14.20486 203.0232 13.62234 -8.713974      19.68111 
1 1 1 1   7   1  o 285.7604 7.650213 1959.162       104.4223 1926.954       226.8788 1967.819       117.6209 281.4036 16.94229 286.2533 8.604367 -4.849762      19.00201 
1 1 1 1   7   2  o 352.2481 8.753440 2977.552       147.4130 0.000000       0.000000 2977.552       147.4130 ?        ?        352.2481 8.753440 0.000000       8.753440 
1 1 1 1   7   3  o 294.3823 12.21387 2090.728       171.5257 0.000000       0.000000 2090.728       171.5257 ?        ?        294.3823 12.21387 0.000000       12.21387 
1 1 1 1   7   4  o 250.5809 7.421934 1506.443       88.81670 1368.072       181.2955 1550.140       101.8799 237.1691 16.08413 254.0640 8.399129 -16.89494      18.14510 
1 1 1 1   7   5  o 156.4839 8.709783 589.3027       64.90357 618.8842       98.80379 566.8491       86.08092 159.7263 13.05236 153.0206 11.85903 6.705643       17.63521 
1 1 1 1   7   6  o 182.3576 8.718560 799.4844       75.79092 780.5421       118.5151 812.5916       98.58500 179.3825 13.92834 183.4986 11.29220 -4.116058      17.93077 
1 1 1 1   7   7  o 397.9630 7.504203 3794.842       142.7762 3800.572       199.5860 3788.836       204.3295 397.6747 10.50689 397.0052 10.77527 0.6694031      15.04996 
1 1 1 1   7   8  o 315.2349 8.959849 2384.439       134.8971 2363.902       155.1075 2448.203       273.3033 313.6745 10.35717 317.6106 18.07331 -3.936096      20.83064 
1 1 1 1   7   9  o 499.6979 10.03384 5988.312       239.7084 5937.211       260.5888 6269.392       611.1600 497.4058 10.95813 506.3056 25.32883 -8.899780      27.59765 
1 1 1 1   7   10 o 400.0572 15.06919 3855.548       287.7022 3817.399       405.2332 3894.320       408.5317 396.5043 21.45704 400.5027 21.41380 -3.998322      30.31428 
1 1 1 1   7   11 o 748.0460 11.34639 13419.17       405.7834 13380.01       427.4028 13777.14       1292.228 746.8188 11.97054 746.2065 36.33114 0.6123047      38.25239 
1 1 1 1   7   12 o 203.2343 9.796779 991.8393       94.90907 989.5545       123.0865 995.1899       149.0540 202.6797 12.76745 202.8945 15.48309 -0.2147522     20.06823 
1 1 1 1   7   13 f 224.3557 9.941490 1208.338       106.3695 1305.602       137.1857 1061.712       168.4370 232.9688 12.36118 209.3799 16.97190 23.58896       20.99629 
1 1 1 1   7   14 o 389.9577 15.13429 3660.298       281.6195 3416.079       393.4916 3916.752       403.2270 375.2433 22.03074 402.1367 21.04660 -26.89340      30.46822 
1 1 1 1   7   15 o 206.0514 16.78020 1028.637       163.8734 1087.661       212.5382 942.1068       257.3394 211.0745 21.35514 194.6400 28.49874 16.43449       35.61208 
1 1 1 1   7   16 o 665.2652 23.31755 10742.54       740.4811 10810.09       1043.530 10674.02       1050.906 662.3206 33.06005 657.8516 33.52446 4.468994       47.08350 
1 1 1 1   7   17 o 55.25596 22.65335 25.79053       95.52650 -200.9362      122.9091 371.6915       151.8129 41.54002 20.11355 121.1784 26.90565 -79.63835      33.59270 
1 1 1 1   7   18 o 362.0081 14.50427 3157.780       250.5200 2463.872       345.3885 3928.125       363.9146 317.7282 22.89100 402.7339 18.95366 -85.00571      29.71934 
1 1 1 1   7   19 o 79.88930 26.05949 151.2412       114.3363 162.2005       128.2401 108.7627       252.4746 83.18387 27.62138 92.12350 37.17474 -8.939636      46.31308 
1 1 1 1   7   20 o 278.4447 14.05788 1872.909       186.5348 2026.853       257.4930 1702.902       270.5945 288.5388 18.76791 263.5566 21.66632 24.98218       28.66467 
1 1 1 1   7   21 o 173.8415 15.57328 736.2930       128.0623 685.9645       175.1926 794.0426       187.6649 165.9859 22.66850 178.8526 22.43985 -12.86670      31.89683 
1 1 1 1   7   22 o 202.1734 16.57386 997.9279       158.7926 1172.084       193.4155 637.8174       278.1248 218.6232 18.68381 154.5709 37.92568 64.05234       42.27815 
1 1 1 1   7   23 o 116.2340 26.00311 348.7976       140.8790 732.9448       240.2900 147.5929       173.9025 167.8565 31.08716 84.95835 31.78373 82.89814       44.45916 
1 1 1 1   7   24 o 84.07903 25.57056 178.7131       111.9164 195.0020       150.2007 158.3820       167.8059 89.26923 29.89879 85.39200 31.35460 3.877228       43.32492 
1 1 1 1   7   25 o 170.1270 17.06491 713.8537       136.9266 662.6611       183.4671 778.2215       205.7258 161.2346 24.57677 174.6355 25.38306 -13.40097      35.33153 
1 1 1 1   7   26 o 150.9534 18.51766 567.5861       130.8441 415.9795       184.1169 722.2771       185.9803 124.7716 31.00225 168.5632 23.73418 -43.79161      39.04422 
1 1 1 1   7   27 o 150.7944 18.98038 568.8912       133.8109 797.4681       189.5581 341.8557       188.9178 177.2935 22.89777 112.6697 32.97705 64.62379       40.14715 
1 1 1 1   7   28 o 89.36813 27.17109 207.9313       126.3778 363.1140       181.1745 60.86546       176.3726 115.5990 31.79335 73.57948 30.53325 42.01948       44.08057 
1 1 1 1   7   29 o 118.7011 24.63489 370.0631       135.2191 488.6721       193.1169 255.9822       189.3947 133.9998 30.79166 98.90645 33.57446 35.09334       45.55624 
1 1 1 1   7   30 o 284.7868 17.39373 2011.910       235.6920 1997.059       355.0560 2023.610       315.1402 276.6651 27.19424 281.3594 23.64654 -4.694366      36.03728 
1 1 1 1   7   31 o 104.9787 32.62128 303.4043       180.9414 685.0556       337.3205 149.2291       214.3960 149.2097 44.17054 86.73862 34.50924 62.47104       56.05288 
1 1 1 1   7   32 o 71.98104 28.70900 94.67500       148.7440 34.43745       210.5107 154.7355       210.2012 74.17257 32.14779 85.67789 34.14278 -11.50533      46.89573 
1 1 1 1   7   33 o 132.3666 24.79636 472.2802       151.1539 400.7211       228.8101 527.6899       201.3425 115.2113 36.80329 135.5751 31.64272 -20.36377      48.53600 
1 1 1 1   7   34 o 37.95805 18.94290 -336.5046      139.8237 -800.1070      217.2419 -8.623722      182.6958 39.92373 20.34019 65.31702 29.06417 -25.39330      35.47463 
1 1 1 1   7   35 o 113.2927 37.86387 427.4765       240.9046 427.4765       240.9046 0.000000       0.000000 113.2927 37.86387 ?        ?        0.000000       37.86387 
1 1 1 1   7   36 o 69.87868 30.31630 71.28951       187.5807 70.68313       232.8302 72.41110       316.6531 74.10710 32.90253 80.45528 36.78637 -6.348183      49.35396 
1 1 1 1   7   37 o 99.45390 32.80458 335.8249       180.9730 279.6855       415.4190 348.9748       201.0541 91.43058 41.92804 99.62217 34.56622 -8.191589      54.33952 
1 1 1 1   7   38 o 118.3210 32.52567 496.7891       189.6708 795.0958       424.1663 422.2342       212.0522 111.8515 46.95103 103.4897 35.51702 8.361786       58.87154 
1 1 1 1   8   0  o 172.1784 9.217185 712.6883       75.59615 673.9916       106.5590 751.8978       107.2627 166.8756 13.47078 176.4138 12.80484 -9.538208      18.58563 
1 1 1 1   8   1  o 439.0376 7.992697 4617.840       167.7658 5022.458       200.9247 3686.326       304.8636 457.7071 9.182001 390.5624 16.36327 67.14471       18.76341 
1 1 1 1   8   2  o 239.8199 7.069173 1378.418       80.96325 0.000000       0.000000 1378.418       80.96325 ?        ?        239.8199 7.069173 0.000000       7.069173 
1 1 1 1   8   3  o 453.9506 7.362895 4935.254       159.7959 0.000000       0.000000 4935.254       159.7959 ?        ?        453.9506 7.362895 0.000000       7.362895 
1 1 1 1   8   4  o 283.2726 6.743614 1921.101       91.32836 2019.514       138.8656 1846.089       121.2373 289.9982 10.03103 277.3593 9.155476 12.63889       13.58102 
1 1 1 1   8   5  o 189.0092 9.949590 859.0162       89.59096 907.9564       125.8496 808.7293       127.5694 193.8428 13.66743 182.7234 14.72773 11.11938       20.09241 
1 1 1 1   8   6  o 337.3050 9.114144 2728.424       146.8415 2720.275       167.8533 2754.995       303.1118 336.6328 10.44216 337.1888 18.87813 -0.5560608     21.57365 
1 1 1 1   8   7  o 139.5172 9.061288 468.3071       60.11326 502.7180       81.46178 427.1653       89.07317 144.2502 11.91842 132.5517 14.28081 11.69853       18.60081 
1 1 1 1   8   8  o 619.2446 10.22960 9190.958       302.8511 8068.828       831.2127 9362.723       325.2048 573.5048 30.42450 624.8941 10.88534 -51.38928      32.31317 
1 1 1 1   8   9  o 372.4639 7.761962 3321.040       138.2178 3336.134       190.7167 3304.340       200.5965 372.9141 10.70832 371.0537 11.32104 1.860443       15.58314 
1 1 1 1   8   10 o 475.0504 10.35838 5407.922       235.2556 5555.668       556.0878 5375.715       259.6342 478.2241 24.40292 473.5018 11.46917 4.722260       26.96376 
1 1 1 1   8   11 o 495.3200 10.08305 5878.437       238.7735 5769.958       259.6332 6473.309       607.9954 490.6114 11.06915 516.2158 24.70718 -25.60443      27.07343 
1 1 1 1   8   12 o 585.4178 10.62028 8214.073       297.2421 8196.142       319.3934 8330.059       812.3105 584.6569 11.42659 583.8190 29.19549 0.8378296      31.35193 
1 1 1 1   8   13 o 464.5881 11.66890 5179.930       258.9778 5180.319       294.9443 5178.621       541.1645 464.3331 13.29994 461.4219 24.62056 2.911255       27.98322 
1 1 1 1   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   8   15 o 35.52578 17.49996 -224.8575      105.4612 -358.3859      164.7920 -132.2369      137.2471 44.00832 21.71585 49.72345 23.24652 -5.715137      31.81162 
1 1 1 1   8   16 o 322.8874 13.58259 2509.729       209.2045 2138.774       286.5094 2933.397       306.1900 296.6960 20.32119 348.1319 18.46267 -51.43594      27.45580 
1 1 1 1   8   17 o 447.0006 14.11862 4810.782       301.3448 5324.668       537.0680 4574.661       364.0515 467.1419 24.12939 435.0321 17.53979 32.10980       29.83072 
1 1 1 1   8   18 o 371.8741 13.05088 3329.693       231.6703 3351.942       286.1320 3287.349       394.7383 372.4181 16.10852 366.8731 22.61523 5.544952       27.76568 
1 1 1 1   8   19 o 173.5129 18.36150 737.4369       150.0087 1103.862       236.0975 489.3720       194.2591 211.2049 23.79552 137.9982 30.27790 73.20673       38.50946 
1 1 1 1   8   20 o 171.7652 18.00210 723.4688       145.6378 762.8978       171.6526 622.1511       275.1601 175.7053 20.83953 153.3791 37.77684 22.32625       43.14366 
1 1 1 1   8   21 o 173.3477 15.70795 733.5487       128.7689 689.0801       175.8032 785.0207       189.1408 166.0828 22.73711 177.4180 22.82704 -11.33525      32.21879 
1 1 1 1   8   22 o 458.1728 17.75998 5123.053       388.2905 5525.492       545.5602 4709.918       552.7620 471.7130 24.27277 433.6503 26.79268 38.06274       36.15266 
1 1 1 1   8   23 o 134.8215 28.59807 474.4122       178.6141 566.7159       235.0800 348.3499       274.7253 145.4732 34.35335 116.8730 40.41340 28.60021       53.04145 
1 1 1 1   8   24 o 118.4601 21.47566 356.7940       117.1488 270.4108       157.5780 463.5294       175.1600 101.7803 30.20483 133.0013 28.41001 -31.22102      41.46637 
1 1 1 1   8   25 o 171.2422 19.97483 732.2645       160.4643 1120.923       260.5587 494.7938       203.6697 209.2428 26.65026 135.9586 31.88857 73.28423       41.55860 
1 1 1 1   8   26 o 389.5822 16.47812 3721.080       306.2197 3869.634       426.6703 3563.281       439.7457 392.8521 22.81538 375.4912 24.63192 17.36093       33.57489 
1 1 1 1   8   27 o 306.0518 15.45516 2295.972       225.4077 2869.924       314.3212 1688.299       323.4229 339.8778 19.42472 255.9268 26.83143 83.95103       33.12469 
1 1 1 1   8   28 o 337.6153 14.76513 2792.809       237.7477 2913.683       329.7888 2662.014       343.0554 341.1971 20.30914 324.6382 22.23756 16.55893       30.11595 
1 1 1 1   8   29 o 82.04995 29.94446 156.9160       152.6951 145.4662       175.8323 192.0370       307.9515 82.78856 31.73163 99.61874 40.73787 -16.83018      51.63787 
1 1 1 1   8   30 o 295.3917 16.85703 2162.523       237.0724 2554.979       321.7958 1696.678       350.5943 317.8685 21.29795 252.3963 29.61732 65.47220       36.47998 
1 1 1 1   8   31 o 105.7936 31.56235 312.2795       171.7025 204.2629       198.4427 634.0212       342.4867 91.04672 33.97424 141.3492 45.01290 -50.30246      56.39513 
1 1 1 1   8   32 o 105.2931 29.37385 311.6485       153.4375 432.7072       210.6882 174.9302       223.9008 121.1455 34.63831 88.35819 35.22892 32.78732       49.40535 
1 1 1 1   8   33 o 153.4930 25.93976 641.4828       183.5787 520.5117       340.4065 691.0945       217.9963 124.1612 44.79576 156.1183 30.30004 -31.95712      54.08098 
1 1 1 1   8   34 o 117.6707 30.89992 409.4398       176.0263 805.3011       349.6880 275.0877       203.7189 150.1577 45.09969 96.52341 34.67573 53.63426       56.88926 
1 1 1 1   8   35 o 82.71243 31.60552 192.3503       174.0839 609.9434       357.0441 62.11924       199.3896 121.9584 45.55900 71.03534 31.03049 50.92310       55.12271 
1 1 1 1   8   36 o 144.2435 29.21151 634.4110       194.5304 352.8752       370.7164 741.3901       228.5202 97.19576 42.38753 152.5047 32.34632 -55.30894      53.31967 
1 1 1 1   8   37 o 92.27688 33.19898 302.9688       186.8150 -67.30598      381.1386 420.0561       214.3264 73.61992 35.59156 105.2981 35.71634 -31.67819      50.42237 
1 1 1 1   8   38 o 49.68710 24.92872 -454.7573      257.4865 -609.1240      385.8242 -330.7957      345.7452 57.86151 29.21885 60.81641 30.25945 -2.954903      42.06395 
1 1 1 1   9   0  o 286.8526 11.92331 1976.653       163.1609 2239.082       230.6643 1713.860       230.8244 304.7780 15.88510 266.1511 18.25079 38.62692       24.19562 
1 1 1 1   9   1  o 702.0282 7.302586 11795.59       245.0979 9327.557       1026.048 11944.94       252.4050 615.1277 35.03430 706.4381 7.473351 -91.31042      35.82252 
1 1 1 1   9   2  o 603.4424 20.43363 8798.751       588.6576 0.000000       0.000000 8798.751       588.6576 ?        ?        603.4424 20.43363 0.000000       20.43363 
1 1 1 1   9   3  o 544.5088 9.464437 7102.185       246.3815 0.000000       0.000000 7102.185       246.3815 ?        ?        544.5088 9.464437 0.000000       9.464437 
1 1 1 1   9   4  o 415.1061 7.327164 4124.157       145.4130 0.000000       0.000000 4124.157       145.4130 ?        ?        415.1061 7.327164 0.000000       7.327164 
1 1 1 1   9   5  f 585.5255 16.70461 8254.112       467.1393 7827.377       809.1191 8467.472       572.1229 565.6954 30.02477 592.0696 20.24172 -26.37421      36.21069 
1 1 1 1   9   6  o 325.1895 8.969809 2534.355       139.3199 2605.381       160.8906 2321.468       278.5468 329.5929 10.22280 309.8249 18.89485 19.76797       21.48304 
1 1 1 1   9   7  o 249.4356 7.861091 1490.832       93.62827 1432.348       128.2111 1557.659       137.0512 244.2057 11.00981 254.6553 11.28500 -10.44962      15.76602 
1 1 1 1   9   8  o 513.4179 9.919447 6315.185       243.4820 5593.717       590.8563 6462.759       267.2260 479.4566 25.87235 519.2798 10.76388 -39.82318      28.02213 
1 1 1 1   9   9  o 529.6137 10.14659 6720.853       256.9138 6007.394       627.8779 6864.326       281.5634 496.6241 26.54112 535.1252 11.00557 -38.50110      28.73245 
1 1 1 1   9   10 o 166.7555 10.37704 668.9682       82.31983 634.2497       109.6848 713.7460       124.5654 161.8744 14.32051 171.6468 15.34091 -9.772385      20.98620 
1 1 1 1   9   11 o 150.0609 12.65282 544.1765       89.92944 799.1885       165.6188 437.5522       107.0921 181.0025 19.44337 133.7478 17.14155 47.25467       25.92059 
1 1 1 1   9   12 o 694.2990 11.94973 11564.77       396.6550 11327.14       1100.425 11600.26       425.2414 677.7094 34.07250 695.1802 12.79469 -17.47076      36.39560 
1 1 1 1   9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   9   14 o 535.5259 12.11915 6883.717       310.2850 6725.102       343.3039 7591.338       725.1141 528.8698 13.58881 557.1163 27.30720 -28.24652      30.50146 
1 1 1 1   9   15 o 267.8627 13.39813 1728.622       171.0345 1227.587       233.9563 2303.783       250.6660 223.9313 22.14257 308.6409 17.05396 -84.70953      27.94872 
1 1 1 1   9   16 o 154.1573 19.21156 583.5048       138.5266 360.1151       224.5874 720.6816       175.9926 119.4828 36.19950 170.9282 22.04949 -51.44537      42.38613 
1 1 1 1   9   17 o 170.8123 14.53390 707.9281       117.5627 601.7275       149.2252 881.6904       190.8782 156.1673 20.47987 189.2749 21.47279 -33.10760      29.67332 
1 1 1 1   9   18 o 383.7472 15.56448 3562.505       284.9615 3489.414       394.5485 3642.209       412.0114 377.5770 21.95146 385.5767 22.44772 -7.999756      31.39692 
1 1 1 1   9   19 o 211.7073 15.87885 1090.390       159.5465 1024.610       188.4310 1256.980       299.8690 204.2661 19.53276 223.2522 28.76249 -18.98607      34.76793 
1 1 1 1   9   20 o 111.1465 21.17811 311.9750       108.4284 391.2542       137.7170 182.6880       175.8673 124.0183 24.09550 90.26543 32.24287 33.75286       40.25166 
1 1 1 1   9   21 o 168.7318 16.22784 697.8253       129.2956 774.3749       171.1363 596.0211       197.3573 176.5342 20.66785 152.0570 28.18567 24.47717       34.95127 
1 1 1 1   9   22 o 308.7018 14.83872 2318.350       218.3585 2496.045       303.5150 2127.703       314.3828 318.0890 20.06045 292.3242 22.67210 25.76480       30.27286 
1 1 1 1   9   23 o 531.9935 13.86362 6869.035       352.3069 7078.174       710.8670 6800.941       405.6265 527.6632 28.28218 527.9700 16.08851 -0.3068237     32.53801 
1 1 1 1   9   24 o 355.7132 15.70960 3090.679       266.5023 3456.363       372.7587 2708.318       381.1643 373.1372 20.97991 327.9549 24.48702 45.18234       32.24548 
1 1 1 1   9   25 o 126.8254 26.27869 420.7035       154.0958 459.8710       266.1208 400.9466       189.0060 128.6016 39.49268 121.8903 32.02415 6.711266       50.84503 
1 1 1 1   9   26 o 98.43888 26.30364 255.4700       126.1523 339.8091       172.2999 158.0169       185.2117 112.2751 31.05405 86.13210 32.67425 26.14304       45.07727 
1 1 1 1   9   27 o 216.7658 21.60430 1188.038       220.9141 1227.772       293.9131 1136.439       334.9293 215.7187 29.25156 202.8614 35.84446 12.85732       46.26531 
1 1 1 1   9   28 o 259.0769 17.15319 1664.380       211.2661 1635.766       261.9397 1717.640       357.3675 254.0786 21.77348 254.2217 29.97902 -0.1430664     37.05167 
1 1 1 1   9   29 o 53.59974 23.74439 -25.17666      120.5858 -37.51062      164.7715 -10.95258      176.9469 61.60969 27.49596 66.12029 29.04790 -4.510601      39.99760 
1 1 1 1   9   30 o 137.3845 27.58759 509.1398       174.9006 728.7219       309.1939 405.8172       212.0948 155.4397 41.01729 119.1041 34.96366 36.33559       53.89690 
1 1 1 1   9   31 o 210.5739 17.53498 1116.994       174.9292 1267.284       247.4090 966.7562       247.3656 219.7354 23.93742 188.3921 28.34145 31.34329       37.09768 
1 1 1 1   9   32 o 163.3067 19.29999 686.2095       147.7766 672.3052       209.8586 699.8853       208.1274 154.8111 29.42953 158.7646 28.46571 -3.953445      40.94379 
1 1 1 1   9   33 o 151.4084 21.35081 604.3942       150.2658 415.2300       210.1730 802.2045       214.9224 116.3587 34.96763 170.0791 27.35932 -53.72037      44.39896 
1 1 1 1   9   34 o 92.11047 31.97439 255.4456       172.0430 354.5131       199.4893 -32.11151      339.8726 105.3643 34.42520 79.09159 36.84555 26.27275       50.42508 
1 1 1 1   9   35 o 56.02586 26.03781 -68.15267      168.1440 -71.98586      192.9640 -56.06107      342.7194 59.49511 27.73190 75.55647 35.75753 -16.06136      45.25107 
1 1 1 1   9   36 f 85.22221 33.66418 236.5159       202.6573 115.4623       345.4720 300.0265       250.2344 81.05231 37.54914 91.42595 36.96786 -10.37364      52.69308 
1 1 1 1   9   37 o 60.62100 27.70761 14.28844       179.4302 84.48524       351.8312 -10.38673      208.5960 75.44972 35.85874 61.95500 28.86340 13.49472       46.03200 
1 1 1 1   10  0  f 495.7249 6.997131 5880.695       165.8323 6128.741       244.1919 5668.385       225.9173 505.7762 10.09868 486.4507 9.714091 19.32547       14.01238 
1 1 1 1   10  1  o 117.9041 6.657437 333.6868       37.37458 381.6456       59.53936 302.5000       48.01265 125.8238 9.979353 112.0292 9.041032 13.79460       13.46580 
1 1 1 1   10  2  f 361.3226 8.926823 3126.338       154.2057 0.000000       0.000000 3126.338       154.2057 ?        ?        361.3226 8.926823 0.000000       8.926823 
1 1 1 1   10  3  o 277.3575 8.498557 1843.589       112.5591 0.000000       0.000000 1843.589       112.5591 ?        ?        277.3575 8.498557 0.000000       8.498557 
1 1 1 1   10  4  o 374.4989 8.983771 3358.695       160.8487 0.000000       0.000000 3358.695       160.8487 ?        ?        374.4989 8.983771 0.000000       8.983771 
1 1 1 1   10  5  o 196.0902 7.816875 921.8999       73.13519 0.000000       0.000000 921.8999       73.13519 ?        ?        196.0902 7.816875 0.000000       7.816875 
1 1 1 1   10  6  o 567.1130 7.451762 7698.013       202.0398 7529.371       755.7391 7710.994       209.6714 555.2888 28.56318 567.5634 7.727099 -12.27460      29.58991 
1 1 1 1   10  7  o 379.1462 9.360302 3443.456       169.6700 3507.288       191.9533 3215.417       362.8128 382.3976 10.50955 364.2884 20.91987 18.10922       23.41136 
1 1 1 1   10  8  o 276.4038 12.01664 1836.111       158.4151 1907.913       222.2651 1761.979       225.8433 281.0917 16.61330 269.9202 17.59696 11.17148       24.20031 
1 1 1 1   10  9  o 105.1111 18.01792 273.5789       87.28754 149.0217       150.3547 336.8997       107.2027 83.79005 29.82532 116.5497 19.95646 -32.75961      35.88607 
1 1 1 1   10  10 o 203.6518 12.80409 999.4843       124.0343 1127.744       159.1335 800.9510       197.9853 215.9876 15.51412 180.3094 23.52774 35.67819       28.18231 
1 1 1 1   10  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   10  12 o 473.6652 11.89940 5388.033       269.2531 5006.897       535.6705 5516.883       311.4583 453.0801 24.82430 478.9586 13.61553 -25.87842      28.31304 
1 1 1 1   10  13 o 200.6556 12.97436 971.3043       123.7974 859.3755       170.4401 1096.297       180.1118 187.6070 19.27661 212.4004 17.90347 -24.79347      26.30821 
1 1 1 1   10  14 o 58.36209 21.94261 61.50229       83.10192 59.27366       110.9880 64.34589       125.3695 63.65994 24.98421 67.19869 26.49857 -3.538754      36.41957 
1 1 1 1   10  15 o 276.1826 13.14223 1838.905       173.0318 1904.171       231.4868 1756.267       260.4787 280.1799 17.36685 268.2698 20.46359 11.91010       26.83963 
1 1 1 1   10  16 o 54.07650 22.29956 22.82657       93.27049 67.96093       119.4769 -47.59805      149.2425 66.42175 25.96512 59.26254 26.32535 7.159210       36.97583 
1 1 1 1   10  17 o 59.09967 25.15574 5.321724       124.5834 203.7103       207.7118 -106.1497      155.6986 96.59064 34.97255 55.71708 25.59420 40.87357       43.33754 
1 1 1 1   10  18 o 416.2090 12.74659 4179.464       253.3388 4280.037       303.5551 3948.646       459.8657 420.4045 15.12761 399.7859 24.17292 20.61856       28.51622 
1 1 1 1   10  19 o 73.13058 26.87938 109.8074       123.3727 28.56063       137.5040 445.2539       279.3986 64.32935 26.84846 129.7326 40.57095 -65.40326      48.65020 
1 1 1 1   10  20 o 256.6499 14.24895 1600.107       174.1503 1777.522       230.7530 1365.333       265.4467 269.2862 18.02743 233.5029 24.12507 35.78329       30.11656 
1 1 1 1   10  21 o 40.99680 19.24583 -95.12967      95.72246 -63.75377      116.3766 -160.7558      168.3085 49.44615 22.48964 54.18860 25.46434 -4.742451      33.97376 
1 1 1 1   10  22 o 249.5963 15.13108 1520.787       179.7097 1893.950       251.4111 1130.920       256.9762 276.9975 19.10151 210.7085 26.06473 66.28905       32.31467 
1 1 1 1   10  23 o 139.8461 29.13398 515.4077       188.4552 354.1874       240.5848 771.4157       303.1692 115.4253 37.81076 166.9055 38.74097 -51.48016      54.13425 
1 1 1 1   10  24 o 506.0479 19.41019 6334.559       468.7311 6816.091       658.7136 5840.632       667.1384 517.2727 26.72661 475.5790 29.48670 41.69366       39.79670 
1 1 1 1   10  25 o 114.6057 23.62291 341.2808       125.1292 390.8991       167.7137 278.9829       187.9249 120.7827 29.33869 102.8414 33.39952 17.94133       44.45545 
1 1 1 1   10  26 o 198.2914 18.74655 982.3061       175.6091 946.1182       208.8872 1069.524       324.2897 192.4330 23.17085 196.6766 35.80708 -4.243622      42.65015 
1 1 1 1   10  27 o 212.0305 16.77818 1115.173       168.6938 1228.785       234.0829 992.4148       243.3235 219.4797 22.63248 194.5694 26.87471 24.91031       35.13515 
1 1 1 1   10  28 o 161.0038 20.44187 658.6810       153.8072 714.6506       211.6473 596.0423       223.9021 163.8194 28.03033 146.6416 32.76357 17.17776       43.11787 
1 1 1 1   10  29 o 166.3040 24.54503 723.5165       189.2943 948.0250       322.5896 605.6144       233.7733 180.4448 38.56356 146.2870 34.06380 34.15775       51.45377 
1 1 1 1   10  30 o 99.90525 29.27674 277.8968       148.8215 288.0361       205.7408 266.7695       215.5312 101.2425 34.97494 98.72856 35.64129 2.513939       49.93544 
1 1 1 1   10  31 o 157.0823 22.29503 649.0027       162.7361 691.8724       232.6801 607.9526       227.6884 154.8810 32.46327 143.9345 33.68740 10.94643       46.78359 
1 1 1 1   10  32 o 70.08682 29.02186 77.81989       158.8708 -250.6013      321.3996 184.0147       182.7601 70.33128 33.65920 85.06074 32.41251 -14.72945      46.72807 
1 1 1 1   10  33 o 84.04649 28.60887 199.8417       137.5265 587.7324       198.9609 -155.0546      190.3109 141.0360 30.40363 55.61271 26.41423 85.42326       40.27521 
1 1 1 1   10  34 o 121.3448 26.52427 431.1476       149.5724 409.2852       217.3403 450.8180       206.1571 109.1674 35.94720 116.2284 34.56227 -7.060944      49.86734 
1 1 1 1   10  35 o 72.43922 28.74150 137.8270       148.3290 101.8930       212.3500 172.0654       207.2796 73.35344 32.03351 79.32964 33.02509 -5.976204      46.00872 
1 1 1 1   10  36 f 91.04898 30.83184 287.4896       159.7085 -24.96025      219.5209 638.8427       232.7863 62.75893 29.36001 130.2064 36.12696 -67.44744      46.55285 
1 1 1 1   11  0  o 238.7056 6.790011 1364.714       77.41051 1316.074       119.5616 1399.821       101.5745 234.0689 10.71255 241.6015 8.808549 -7.532608      13.86900 
1 1 1 1   11  1  o 210.7437 8.883945 1065.586       89.30866 0.000000       0.000000 1065.586       89.30866 ?        ?        210.7437 8.883945 0.000000       8.883945 
1 1 1 1   11  2  o 16.91733 8.279819 -43.79600      22.43142 0.000000       0.000000 -43.79600      22.43142 ?        ?        16.91733 8.279819 0.000000       8.279819 
1 1 1 1   11  3  o 166.4724 9.977723 666.4557       79.04681 0.000000       0.000000 666.4557       79.04681 ?        ?        166.4724 9.977723 0.000000       9.977723 
1 1 1 1   11  4  o 145.3078 9.633815 508.1006       66.54819 0.000000       0.000000 508.1006       66.54819 ?        ?        145.3078 9.633815 0.000000       9.633815 
1 1 1 1   11  5  o 486.9211 9.694828 5681.065       225.6873 0.000000       0.000000 5681.065       225.6873 ?        ?        486.9211 9.694828 0.000000       9.694828 
1 1 1 1   11  6  o 35.83159 13.57323 21.86291       31.93384 0.000000       0.000000 21.86291       31.93384 ?        ?        35.83159 13.57323 0.000000       13.57323 
1 1 1 1   11  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   11  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   11  9  o 189.2155 11.91972 862.6648       107.2800 990.1920       143.4400 700.7740       161.6143 202.3448 14.93278 169.0374 20.41084 33.30736       25.29012 
1 1 1 1   11  10 o 194.6772 12.59292 913.9967       116.5771 1051.397       160.2030 759.3520       169.9592 208.2904 16.21534 175.9678 20.59132 32.32254       26.20953 
1 1 1 1   11  11 o 558.9361 20.16620 7573.780       538.0000 8084.038       758.9730 7058.453       762.7346 573.9445 27.74190 535.0726 29.93556 38.87189       40.81361 
1 1 1 1   11  12 o 184.8310 12.06980 824.1716       106.0720 621.9932       137.4888 1121.453       166.7184 159.3652 18.38179 215.0069 16.34134 -55.64177      24.59532 
1 1 1 1   11  13 o 158.2100 13.02022 606.1735       97.61208 560.6849       125.6442 675.4282       155.0302 151.2598 17.70930 165.7030 19.97165 -14.44319      26.69243 
1 1 1 1   11  14 o 487.9245 12.90209 5734.601       300.7044 6684.374       638.1043 5463.471       340.9341 521.0499 25.69482 475.5999 15.01290 45.45004       29.75922 
1 1 1 1   11  15 o 492.5522 12.89076 5847.744       303.2953 6107.531       613.3163 5763.648       348.9489 497.2291 25.88916 488.2939 14.96529 8.935211       29.90332 
1 1 1 1   11  16 o 237.9299 14.79410 1373.379       167.4526 1518.610       211.5500 1129.717       274.0169 249.4284 17.85838 211.7137 27.73852 37.71468       32.99011 
1 1 1 1   11  17 o 144.7600 16.33751 514.5895       111.0958 402.3842       142.4013 689.0977       177.5887 125.6325 24.58916 165.8968 23.00939 -40.26437      33.67579 
1 1 1 1   11  18 o 374.2450 12.35633 3383.656       220.7792 3843.471       272.9461 2513.457       375.4871 398.1641 14.36212 317.2617 24.95612 80.90234       28.79372 
1 1 1 1   11  19 o 194.4243 15.27144 923.5332       140.8126 1226.429       186.9373 526.2502       214.0915 223.4642 17.64063 140.8102 32.46624 82.65401       36.94927 
1 1 1 1   11  20 o 171.2379 18.74107 727.1859       150.9245 752.9080       173.2193 646.1111       307.5285 173.3704 21.34873 152.2050 41.24359 21.16542       46.44138 
1 1 1 1   11  21 o 137.0650 19.63123 471.1688       124.9734 710.4573       161.9561 118.9739       196.4844 168.4974 20.52778 83.51492 33.09764 84.98252       38.94667 
1 1 1 1   11  22 o 233.2682 16.73099 1337.624       185.3495 1211.851       222.7977 1620.321       334.0247 220.0234 21.45251 250.7523 28.36002 -30.72891      35.55982 
1 1 1 1   11  23 o 203.5787 17.98102 1026.800       173.2096 1165.785       256.0497 909.5400       235.1886 213.3529 25.61406 187.4454 27.02377 25.90749       37.23391 
1 1 1 1   11  24 o 109.9945 23.44561 314.9881       119.5227 383.7440       149.7767 194.4310       198.3288 120.4770 26.70523 91.75857 34.01723 28.71842       43.24744 
1 1 1 1   11  25 f 114.5170 26.70864 349.2688       143.5310 272.8817       160.5466 653.4127       320.3543 100.8515 30.61701 148.5043 42.79149 -47.65281      52.61666 
1 1 1 1   11  26 o 157.1849 23.10464 637.2490       168.4503 465.3434       268.0705 749.4203       216.5433 126.7681 39.75402 168.0545 27.93180 -41.28635      48.58567 
1 1 1 1   11  27 o 180.6619 17.74816 816.0344       151.3185 1000.381       200.2963 570.9290       230.9574 198.2784 21.47173 142.5031 34.31285 55.77525       40.47724 
1 1 1 1   11  28 o 82.70798 29.09646 170.2173       142.7488 206.6691       200.6738 132.8777       203.1027 91.85202 34.18624 83.51030 33.46626 8.341721       47.84025 
1 1 1 1   11  29 o 166.3891 23.14207 725.9483       179.1166 741.8345       206.4899 677.6624       359.9971 165.7224 26.99006 142.6878 46.21844 23.03462       53.52203 
1 1 1 1   11  30 o 58.64487 28.26809 -270.1465      236.1269 -153.0979      311.8314 -427.4678      361.5186 74.27058 34.82492 69.38152 33.80042 4.889069       48.53085 
1 1 1 1   11  31 o 83.54399 31.26020 179.0187       168.2363 262.5407       188.8683 -141.8323      370.1776 95.65675 33.48240 79.93764 37.62674 15.71910       50.36708 
1 1 1 1   11  32 o 118.5565 26.05642 396.8357       143.6523 396.4135       204.8913 397.2440       201.4622 112.2178 34.68700 112.5986 34.32035 -0.3807907     48.79626 
1 1 1 1   11  33 o 58.18571 26.56898 -35.07703      164.4700 147.6396       323.7186 -98.65235      190.9514 85.61336 38.35032 57.95638 27.19958 27.65698       47.01664 
1 1 1 1   11  34 o 108.9591 27.91110 364.3819       146.0272 495.6134       208.0002 236.8360       205.0586 120.3400 34.41941 86.25860 33.92776 34.08140       48.33000 
1 1 1 1   11  35 o 39.56849 19.91951 -424.4203      171.7133 -444.0988      197.8911 -364.4507      345.4578 43.15142 21.67782 61.95970 30.72914 -18.80828      37.60596 
1 1 1 1   11  36 o 44.44951 22.10251 -303.0833      183.3321 -354.4373      209.2384 -133.3650      380.3811 46.42010 23.16693 67.68408 33.32058 -21.26398      40.58286 
1 1 1 1   12  0  o 153.3778 7.619304 564.6819       55.69603 623.1624       88.03925 525.6597       71.91630 160.7381 11.53308 147.7121 10.24716 13.02594       15.42778 
1 1 1 1   12  1  o 295.4381 9.602035 2094.239       135.4444 0.000000       0.000000 2094.239       135.4444 ?        ?        295.4381 9.602035 0.000000       9.602035 
1 1 1 1   12  2  f 475.4377 17.25505 5457.076       391.5591 0.000000       0.000000 5457.076       391.5591 ?        ?        475.4377 17.25505 0.000000       17.25505 
1 1 1 1   12  3  o 250.5213 8.863837 1505.581       105.9961 0.000000       0.000000 1505.581       105.9961 ?        ?        250.5213 8.863837 0.000000       8.863837 
1 1 1 1   12  4  o 372.7885 14.09417 3346.292       250.7422 0.000000       0.000000 3346.292       250.7422 ?        ?        372.7885 14.09417 0.000000       14.09417 
1 1 1 1   12  5  o 138.1322 10.59597 460.3228       69.44090 0.000000       0.000000 460.3228       69.44090 ?        ?        138.1322 10.59597 0.000000       10.59597 
1 1 1 1   12  6  o 606.6786 11.21836 8832.901       325.3842 0.000000       0.000000 8832.901       325.3842 ?        ?        606.6786 11.21836 0.000000       11.21836 
1 1 1 1   12  7  o 524.5267 18.48487 6657.979       462.8210 0.000000       0.000000 6657.979       462.8210 ?        ?        524.5267 18.48487 0.000000       18.48487 
1 1 1 1   12  8  o 369.0659 7.899449 3262.977       139.3827 2358.975       335.3332 3451.779       153.2482 310.6126 22.73886 379.5352 8.445689 -68.92255      24.25666 
1 1 1 1   12  9  o 353.7972 13.91698 3017.842       234.9415 2790.362       326.4655 3262.213       338.3689 338.5560 20.26237 366.4259 19.38401 -27.86984      28.04110 
1 1 1 1   12  10 o 412.9452 15.42390 4119.632       303.9702 3809.537       424.1060 4447.205       435.8939 394.7000 22.56904 427.0146 21.41997 -32.31458      31.11554 
1 1 1 1   12  11 o 145.1980 15.90328 515.1655       108.5927 404.3300       126.6218 823.3727       211.1496 127.1613 21.59976 181.6807 24.96905 -54.51939      33.01519 
1 1 1 1   12  12 f 133.5956 15.16813 436.3978       95.16679 344.4135       125.7860 559.5356       145.5362 116.6571 23.36866 150.1957 20.82748 -33.53860      31.30301 
1 1 1 1   12  13 o 304.6504 13.55995 2242.719       197.0056 2306.641       270.4818 2170.493       287.5136 307.5689 18.47970 297.7075 20.32228 9.861420       27.46806 
1 1 1 1   12  14 o 179.3412 12.45753 778.7592       106.1482 613.9612       136.8780 1027.395       168.1278 157.8310 18.48992 205.0079 17.31557 -47.17690      25.33192 
1 1 1 1   12  15 f 279.9495 13.33865 1896.786       178.0119 2007.913       241.7904 1765.265       263.0439 286.7213 17.72554 267.7181 20.71241 19.00317       27.26167 
1 1 1 1   12  16 o 82.71445 22.97781 174.1321       94.10712 150.5842       119.4244 212.7084       152.8537 79.49426 26.66072 92.60645 30.12558 -13.11219      40.22865 
1 1 1 1   12  17 o 102.9965 21.33082 270.4473       101.5770 239.2779       129.2410 320.8130       164.2870 96.21415 27.00119 110.5587 30.22271 -14.34455      40.52748 
1 1 1 1   12  18 o 108.2148 30.23096 308.1215       162.4012 312.7602       200.9082 299.3766       275.8538 109.3624 34.43237 111.0650 40.29026 -1.702606      52.99899 
1 1 1 1   12  19 o 279.7622 14.42959 1905.949       192.3452 2113.021       260.1024 1656.052       285.7354 292.8264 18.67649 256.8080 23.53411 36.01831       30.04439 
1 1 1 1   12  20 o 163.2926 16.57518 657.8616       127.6087 538.7463       162.8314 847.4661       205.4370 144.9678 24.35694 182.6627 24.11287 -37.69487      34.27377 
1 1 1 1   12  21 o 463.7872 15.47134 5255.321       342.5680 6214.529       607.5140 4808.135       414.8049 495.1052 25.75408 440.6117 19.74167 54.49350       32.45005 
1 1 1 1   12  22 f 453.3365 18.44872 5075.642       399.0130 5806.978       555.4205 4295.654       573.5975 479.3589 24.31496 406.7376 29.70220 72.62122       38.38539 
1 1 1 1   12  23 o 182.8533 17.20278 829.8216       148.6200 840.3307       194.5711 815.1023       230.2713 181.5045 22.93345 175.9336 28.33930 5.570938       36.45626 
1 1 1 1   12  24 o 219.0162 18.62373 1197.780       193.1598 1021.352       287.1424 1343.608       261.0555 194.3380 32.01933 228.7944 24.23396 -34.45645      40.15623 
1 1 1 1   12  25 o 86.80202 27.86632 195.9781       131.0570 52.65509       169.9833 406.0503       205.7939 71.14919 29.78433 120.3324 34.17730 -49.18321      45.33425 
1 1 1 1   12  26 o 243.9252 18.51464 1488.315       214.3011 2012.967       263.5064 463.4756       368.2844 283.1401 19.58693 125.6576 46.39670 157.4825       50.36171 
1 1 1 1   12  27 o 169.1455 28.85464 773.5005       224.9726 599.4448       290.9797 1032.171       354.7253 140.6403 40.85963 185.7365 41.04193 -45.09625      57.91330 
1 1 1 1   12  28 o 172.0092 18.60340 752.5978       150.5546 995.7097       192.9598 374.3035       240.7014 196.6538 20.84056 112.2286 37.85124 84.42519       43.20932 
1 1 1 1   12  29 o 40.86202 20.42869 -408.4493      165.8713 -543.0627      282.0166 -337.2526      205.0975 55.76530 27.67557 50.68658 24.85490 5.078724       37.19816 
1 1 1 1   12  30 o 250.0605 16.63689 1578.768       197.7646 1640.980       265.3492 1501.029       296.6190 249.6261 22.47447 234.0512 27.00262 15.57492       35.13180 
1 1 1 1   12  31 o 172.5983 25.36332 823.0723       203.0535 1044.053       326.0944 683.1302       259.5018 179.1416 39.16924 145.6764 37.14973 33.46523       53.98455 
1 1 1 1   12  32 o 49.68066 23.43200 -105.6766      144.8706 -162.4570      185.4618 -16.80218      232.0296 53.49347 25.59225 68.34364 31.33878 -14.85017      40.46087 
1 1 1 1   12  33 o 101.2333 30.69319 331.0355       161.4182 419.6976       209.2390 200.7023       253.6886 109.2775 35.22246 83.92147 35.81450 25.35603       50.23246 
1 1 1 1   12  34 o 48.15855 23.55080 -223.4520      180.3725 -90.12716      340.3067 -275.5403      212.7086 70.26370 33.88543 50.81585 24.99694 19.44785       42.10782 
1 1 1 1   12  35 o 70.02930 28.96266 145.6479       157.9583 -55.04259      216.7355 373.0143       230.6906 59.35885 28.19206 92.88181 36.14527 -33.52296      45.83965 
1 1 1 1   13  0  o 293.3312 7.987572 2063.540       111.9121 2045.505       147.5330 2087.981       171.7476 291.6841 10.59719 294.4232 12.22803 -2.739075      16.18101 
1 1 1 1   13  1  o 370.6626 13.77104 3313.231       243.6117 0.000000       0.000000 3313.231       243.6117 ?        ?        370.6626 13.77104 0.000000       13.77104 
1 1 1 1   13  2  o 176.1474 10.06326 747.0576       84.39422 0.000000       0.000000 747.0576       84.39422 ?        ?        176.1474 10.06326 0.000000       10.06326 
1 1 1 1   13  3  o 107.2718 11.45388 279.5960       57.83388 0.000000       0.000000 279.5960       57.83388 ?        ?        107.2718 11.45388 0.000000       11.45388 
1 1 1 1   13  4  o 450.1370 10.78530 4866.237       232.1054 0.000000       0.000000 4866.237       232.1054 ?        ?        450.1370 10.78530 0.000000       10.78530 
1 1 1 1   13  5  o 376.1631 9.360315 3394.613       168.3352 0.000000       0.000000 3394.613       168.3352 ?        ?        376.1631 9.360315 0.000000       9.360315 
1 1 1 1   13  6  o 190.4772 10.69696 874.1841       97.02044 0.000000       0.000000 874.1841       97.02044 ?        ?        190.4772 10.69696 0.000000       10.69696 
1 1 1 1   13  7  o 371.6899 11.45543 3324.529       203.3209 0.000000       0.000000 3324.529       203.3209 ?        ?        371.6899 11.45543 0.000000       11.45543 
1 1 1 1   13  8  o 105.7629 12.52928 272.9839       62.12395 0.000000       0.000000 272.9839       62.12395 ?        ?        105.7629 12.52928 0.000000       12.52928 
1 1 1 1   13  9  o 290.7018 7.694609 2027.228       106.8466 1709.533       178.9390 2203.264       133.1989 265.7928 14.13245 302.8428 9.210432 -37.04999      16.86885 
1 1 1 1   13  10 o 186.4989 13.32136 843.0265       117.9951 932.8421       143.0100 651.4984       208.8366 195.7940 15.40163 159.7626 28.38132 36.03145       32.29102 
1 1 1 1   13  11 o 486.5731 9.065371 5684.436       210.8832 5633.561       276.4971 5755.186       326.0624 483.6048 11.95891 487.9179 13.99247 -4.313171      18.40665 
1 1 1 1   13  12 o 303.1036 11.44952 2215.785       165.6172 2240.131       204.1137 2168.867       283.3503 304.0802 14.07848 297.1646 20.06186 6.915649       24.50882 
1 1 1 1   13  13 o 291.4296 13.53665 2057.413       188.0898 2114.195       259.2594 1994.318       273.2934 293.7467 18.55574 284.6162 20.21609 9.130463       27.44095 
1 1 1 1   13  14 o 300.0413 13.80981 2183.540       197.5654 2281.186       273.7470 2077.391       285.4176 304.8038 18.87806 290.0315 20.72037 14.77237       28.03061 
1 1 1 1   13  15 o 34.83375 16.99239 -165.6171      92.22488 -245.1313      134.0455 -94.14728      127.0841 41.56033 20.31946 49.51953 22.88219 -7.959202      30.60188 
1 1 1 1   13  16 o 225.9657 13.76034 1242.087       147.9505 1227.409       182.6109 1270.131       252.4060 223.5336 17.22003 224.7132 23.85851 -1.179596      29.42376 
1 1 1 1   13  17 o 264.0234 13.90452 1695.780       174.8933 1946.548       215.1466 1207.231       300.2979 282.1395 16.01583 215.7552 29.91665 66.38426       33.93394 
1 1 1 1   13  18 f 112.0857 20.71632 319.6445       106.9241 219.4067       133.3979 499.7695       178.8217 92.21561 27.89033 138.1153 28.04008 -45.89970      39.54891 
1 1 1 1   13  19 o 282.7779 14.59231 1951.654       196.6103 2078.220       264.0391 1794.143       294.5552 289.6962 19.17198 266.8642 23.32112 22.83206       30.19006 
1 1 1 1   13  20 o 186.3273 17.43042 859.6930       153.4697 795.5078       174.7529 1076.101       320.8810 177.8148 20.95861 199.3209 34.94651 -21.50606      40.74950 
1 1 1 1   13  21 f 203.2876 15.57761 1017.042       150.2446 1082.810       193.3689 916.8517       238.6652 208.0650 19.67285 187.4594 27.44287 20.60558       33.76584 
1 1 1 1   13  22 o 478.4319 15.83098 5623.987       361.6078 6305.825       627.0042 5284.177       442.6372 494.6506 26.61125 459.8630 20.18227 34.78757       33.39885 
1 1 1 1   13  23 o 370.7838 16.50229 3393.978       291.7990 3521.821       396.7274 3243.307       430.6943 372.8451 22.35915 354.7010 25.56953 18.14404       33.96664 
1 1 1 1   13  24 o 82.11608 27.54033 170.5437       127.4346 251.4877       156.5720 11.69627       219.3370 96.86928 30.38238 74.73026 32.59695 22.13902       44.56064 
1 1 1 1   13  25 o 221.5874 19.00209 1233.990       199.3635 1653.910       296.2560 886.4380       269.5216 252.5897 24.85416 179.2458 32.65382 73.34387       41.03658 
1 1 1 1   13  26 o 110.4758 26.80456 332.3482       140.1144 187.5747       178.2071 566.7424       226.7535 87.31030 32.26783 140.5423 34.09898 -53.23205      46.94629 
1 1 1 1   13  27 o 177.8160 19.24110 808.3825       160.9694 876.6008       211.7393 714.9686       247.7745 181.3287 25.09661 156.9025 34.01355 24.42624       42.27010 
1 1 1 1   13  28 o 152.2635 35.01741 692.8887       249.5880 740.6368       331.6686 630.5445       378.9866 148.5396 43.75402 133.1740 47.35741 15.36562       64.47588 
1 1 1 1   13  29 o 176.1274 18.82824 799.4420       156.0857 801.5229       197.8891 796.0159       253.9177 172.0376 24.77287 163.8275 33.54878 8.210083       41.70391 
1 1 1 1   13  30 o 57.26336 26.66354 -91.17692      177.6378 -30.31670      277.5197 -133.4201      231.2092 74.04342 34.07013 62.86099 29.63430 11.18243       45.15491 
1 1 1 1   13  31 f 52.76089 24.20931 -46.77348      138.7760 -80.95759      171.9073 17.18488       235.1423 55.96956 26.11730 70.61546 32.05909 -14.64590      41.35093 
1 1 1 1   13  32 o 112.0781 34.38408 434.7115       201.7882 576.7162       314.9499 335.8279       262.8164 115.9989 42.89231 95.69467 38.16326 20.30427       57.41241 
1 1 1 1   13  33 o 113.6303 30.02408 426.6701       165.5279 287.6615       205.0581 686.6653       280.4392 89.01473 34.22924 127.5642 40.74392 -38.54944      53.21379 
1 1 1 1   13  34 o 55.39519 25.66660 -18.40250      161.5028 -55.34973      196.8741 57.62160       282.4055 57.22616 27.08820 69.66369 32.81358 -12.43753      42.55000 
1 1 1 1   14  0  o 112.4685 11.05663 307.1764       58.68362 0.000000       0.000000 307.1764       58.68362 ?        ?        112.4685 11.05663 0.000000       11.05663 
1 1 1 1   14  1  o 149.4408 10.54094 539.5462       74.82751 0.000000       0.000000 539.5462       74.82751 ?        ?        149.4408 10.54094 0.000000       10.54094 
1 1 1 1   14  2  o 121.0737 10.79567 355.2733       61.83482 0.000000       0.000000 355.2733       61.83482 ?        ?        121.0737 10.79567 0.000000       10.79567 
1 1 1 1   14  3  o 361.2809 8.249884 3131.191       142.4955 0.000000       0.000000 3131.191       142.4955 ?        ?        361.2809 8.249884 0.000000       8.249884 
1 1 1 1   14  4  o 155.2014 10.95292 582.2740       80.74870 0.000000       0.000000 582.2740       80.74870 ?        ?        155.2014 10.95292 0.000000       10.95292 
1 1 1 1   14  5  o 262.6771 12.29363 1666.388       153.9587 0.000000       0.000000 1666.388       153.9587 ?        ?        262.6771 12.29363 0.000000       12.29363 
1 1 1 1   14  6  o 133.0331 11.12530 428.8603       70.11134 0.000000       0.000000 428.8603       70.11134 ?        ?        133.0331 11.12530 0.000000       11.12530 
1 1 1 1   14  7  o 417.2679 16.34598 4231.703       325.4567 0.000000       0.000000 4231.703       325.4567 ?        ?        417.2679 16.34598 0.000000       16.34598 
1 1 1 1   14  8  o 254.8343 12.68417 1570.924       154.0498 0.000000       0.000000 1570.924       154.0498 ?        ?        254.8343 12.68417 0.000000       12.68417 
1 1 1 1   14  9  o 168.1888 12.72101 686.7220       101.5301 0.000000       0.000000 686.7220       101.5301 ?        ?        168.1888 12.72101 0.000000       12.72101 
1 1 1 1   14  10 f 212.1706 9.304136 1084.147       94.14826 1225.929       152.2970 996.4503       119.7770 224.5569 14.25954 202.7936 12.41357 21.76335       18.90585 
1 1 1 1   14  11 o 396.9674 12.50329 3810.403       236.9985 3826.880       407.7691 3801.997       291.2405 393.3148 21.77024 395.3499 15.43822 -2.035187      26.68861 
1 1 1 1   14  12 o 172.2104 12.61940 720.5810       103.1765 733.8101       130.7380 698.7371       167.9974 172.9576 15.99182 167.0214 21.53985 5.936234       26.82729 
1 1 1 1   14  13 o 296.8687 11.04324 2128.347       156.4629 2395.850       189.6448 1558.133       276.8830 314.5099 12.63815 249.3554 23.50294 65.15456       26.68541 
1 1 1 1   14  14 o 225.1230 13.32607 1231.900       142.7852 1396.089       191.9005 1028.263       213.7135 238.5250 16.93825 202.4748 22.45471 36.05019       28.12682 
1 1 1 1   14  15 o 242.3394 13.54876 1428.347       156.3506 1690.419       213.4237 1124.782       229.6984 262.4065 17.10541 211.4377 23.09837 50.96875       28.74247 
1 1 1 1   14  16 o 132.4704 19.56369 441.0737       120.1786 527.1470       137.6328 164.8118       246.5746 144.7374 20.45976 93.84718 37.11367 50.89021       42.37955 
1 1 1 1   14  17 o 261.0053 12.57417 1654.610       156.4435 1708.683       198.3902 1565.695       254.3998 264.0560 15.78713 250.1238 21.48208 13.93221       26.65920 
1 1 1 1   14  18 o 357.3563 15.53485 3125.803       264.7756 3308.423       359.4745 2909.233       391.4661 364.3887 20.71994 339.0463 24.31192 25.34238       31.94347 
1 1 1 1   14  19 o 218.6383 15.27915 1174.360       158.7055 1171.507       180.8571 1183.913       330.9518 217.4468 17.54586 208.8851 34.33139 8.561691       38.55518 
1 1 1 1   14  20 o 82.09679 29.41350 159.2778       146.4709 141.3167       217.0296 174.3017       198.4918 87.02306 34.68826 88.89906 33.80164 -1.875999      48.43373 
1 1 1 1   14  21 o 425.5219 12.94555 4413.404       263.0543 4970.257       314.7514 3123.423       479.0591 450.3927 14.63676 344.3177 29.38240 106.0751       32.82621 
1 1 1 1   14  22 o 339.0812 14.25928 2817.720       230.6424 2892.477       290.1867 2689.489       380.0572 341.1992 17.85149 323.3863 24.77065 17.81290       30.53295 
1 1 1 1   14  23 o 161.7681 23.52818 678.2248       176.6358 416.7383       251.0981 934.3763       248.5234 120.3162 38.56662 187.0849 28.70032 -66.76878      48.07382 
1 1 1 1   14  24 o 209.6204 17.20689 1098.082       170.9259 1200.663       216.0040 926.2579       279.5572 216.9530 21.09100 182.0860 33.34167 34.86700       39.45247 
1 1 1 1   14  25 f 178.4186 21.17042 822.1823       177.0677 981.1151       196.6660 141.8633       406.8917 194.8730 21.46414 99.60611 43.89305 95.26688       48.86010 
1 1 1 1   14  26 f 141.4033 22.74387 529.0785       148.5427 426.2947       182.5090 730.7683       255.6606 121.6796 31.22116 157.3427 34.90072 -35.66309      46.82756 
1 1 1 1   14  27 o 96.66347 33.63056 268.6233       190.3799 5.835716       293.4973 459.5118       250.1449 80.08251 36.13932 120.4934 38.47982 -40.41089      52.78965 
1 1 1 1   14  28 o 318.8620 17.03335 2580.405       258.7215 2965.177       350.4707 2119.605       383.5357 335.5301 21.96885 273.1840 29.85109 62.34604       37.06370 
1 1 1 1   14  29 o 55.03965 24.95843 -33.10543      142.0062 -69.13785      151.8957 216.8901       400.0966 53.98011 24.96910 94.61240 42.48825 -40.63230      49.28193 
1 1 1 1   14  30 o 65.55951 28.06935 65.30979       156.7453 86.69866       191.1656 21.42709       273.8183 71.20375 30.74782 73.86147 33.93359 -2.657715      45.79211 
1 1 1 1   14  31 o 80.20612 30.82167 194.6605       166.1864 137.5357       203.5454 308.8784       287.8167 75.54264 32.15442 92.34428 38.71335 -16.80164      50.32524 
1 1 1 1   14  32 o 60.38405 27.53453 8.784608       175.8530 -402.0907      217.6237 781.8558       298.5114 46.98962 23.47810 133.3923 41.96722 -86.40272      48.08813 
1 1 1 1   14  33 o 99.66158 43.61301 653.4075       395.4135 653.4075       395.4135 0.000000       0.000000 99.66158 43.61301 ?        ?        0.000000       43.61301 
1 1 1 1   15  0  o 188.0802 10.58341 854.3026       94.78108 0.000000       0.000000 854.3026       94.78108 ?        ?        188.0802 10.58341 0.000000       10.58341 
1 1 1 1   15  1  o 162.1913 10.22149 635.5111       78.85622 0.000000       0.000000 635.5111       78.85622 ?        ?        162.1913 10.22149 0.000000       10.22149 
1 1 1 1   15  2  o 142.3898 10.52932 490.7348       71.17119 0.000000       0.000000 490.7348       71.17119 ?        ?        142.3898 10.52932 0.000000       10.52932 
1 1 1 1   15  3  o 212.4423 11.32891 1090.878       114.6474 0.000000       0.000000 1090.878       114.6474 ?        ?        212.4423 11.32891 0.000000       11.32891 
1 1 1 1   15  4  o 203.4848 10.69026 999.9215       103.6341 0.000000       0.000000 999.9215       103.6341 ?        ?        203.4848 10.69026 0.000000       10.69026 
1 1 1 1   15  5  o 133.9193 11.60863 435.7149       73.59123 0.000000       0.000000 435.7149       73.59123 ?        ?        133.9193 11.60863 0.000000       11.60863 
1 1 1 1   15  6  o 301.9845 13.09328 2209.287       188.5854 0.000000       0.000000 2209.287       188.5854 ?        ?        301.9845 13.09328 0.000000       13.09328 
1 1 1 1   15  7  o 240.2395 12.10397 1397.022       138.5731 0.000000       0.000000 1397.022       138.5731 ?        ?        240.2395 12.10397 0.000000       12.10397 
1 1 1 1   15  8  o 429.8840 15.81916 4501.281       324.5651 0.000000       0.000000 4501.281       324.5651 ?        ?        429.8840 15.81916 0.000000       15.81916 
1 1 1 1   15  9  o 189.6997 12.90136 874.4316       116.3104 0.000000       0.000000 874.4316       116.3104 ?        ?        189.6997 12.90136 0.000000       12.90136 
1 1 1 1   15  10 o 105.7614 13.54981 275.2353       66.94052 0.000000       0.000000 275.2353       66.94052 ?        ?        105.7614 13.54981 0.000000       13.54981 
1 1 1 1   15  11 o 65.53757 16.75968 108.8233       52.71343 199.7641       76.87453 28.11476       72.42075 88.66026 18.72428 49.22838 19.89398 39.43188       27.31975 
1 1 1 1   15  12 o 73.99490 17.53098 139.2701       61.06013 245.0754       125.3047 106.3226       69.92378 96.96403 26.34867 65.56668 20.26307 31.39735       33.23920 
1 1 1 1   15  13 o 327.0258 14.37449 2605.023       224.1922 2727.819       305.0298 2460.754       330.6261 332.2120 19.28813 313.8188 22.17976 18.39322       29.39343 
1 1 1 1   15  14 o 394.8349 15.96859 3814.141       300.8108 3946.389       415.4032 3668.334       436.1782 397.6297 21.93657 381.7266 24.02210 15.90311       32.53113 
1 1 1 1   15  15 o 362.0594 11.74266 3175.608       202.9924 3222.797       241.1224 3060.782       376.1290 363.7854 13.88936 349.2328 22.64969 14.55255       26.56921 
1 1 1 1   15  16 o 215.3742 15.41819 1139.403       157.7077 1264.902       190.2189 863.4551       282.0631 226.0208 17.74562 178.0680 34.37733 47.95280       38.68731 
1 1 1 1   15  17 o 112.2081 21.51567 324.2903       111.2232 360.9069       134.5090 245.1283       197.7747 117.3487 24.75526 98.14582 34.26910 19.20285       42.27522 
1 1 1 1   15  18 o 314.1913 13.04041 2406.571       195.4559 2676.786       243.8952 1921.507       326.7742 330.0815 15.49844 273.3946 25.28700 56.68686       29.65863 
1 1 1 1   15  19 o 132.8432 25.58789 464.8893       156.6163 442.5972       176.6923 546.6041       338.2927 127.7859 29.51653 135.1758 44.86137 -7.389862      53.70073 
1 1 1 1   15  20 o 246.1505 15.14138 1491.539       177.3241 1824.411       225.2415 948.9352       287.5749 271.0570 17.47428 185.6892 33.63128 85.36780       37.90004 
1 1 1 1   15  21 o 257.3583 14.55985 1628.419       178.4138 1544.927       222.9289 1777.176       297.5659 248.3010 18.92181 262.8833 23.93850 -14.58234      30.51371 
1 1 1 1   15  22 o 273.5330 15.54023 1850.622       202.3882 1765.431       260.1427 1981.251       322.1318 263.6832 20.80420 276.2365 24.65056 -12.55325      32.25624 
1 1 1 1   15  23 o 153.9545 30.59152 661.1914       217.2289 712.4133       237.5198 399.2419       537.1315 158.5950 32.42119 120.1093 51.70096 38.48566       61.02559 
1 1 1 1   15  24 o 184.4408 24.65104 904.8323       211.9327 805.2581       256.9003 1116.974       374.9764 167.1783 33.31240 187.6390 42.75599 -20.46066      54.20139 
1 1 1 1   15  25 o 216.4360 34.55215 1372.024       345.5151 1392.400       412.2966 1323.958       633.2393 208.0532 42.87674 169.6060 61.10960 38.44724       74.65118 
1 1 1 1   15  26 o 91.32902 33.23505 233.0084       187.9046 388.2354       252.4939 40.32905       281.3099 110.7732 38.71776 80.54343 35.93771 30.22974       52.82598 
1 1 1 1   15  27 f 137.7987 30.12851 559.7074       192.9402 559.7074       192.9402 0.000000       0.000000 137.7987 30.12851 ?        ?        0.000000       30.12851 
1 1 1 1   15  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15  30 o 111.2615 32.52528 422.8878       183.8745 290.0434       201.0526 1102.141       454.6257 90.92191 34.14159 139.2316 51.52394 -48.30972      61.80910 
1 1 1 1   15  31 o 71.31970 31.40877 124.7574       208.0475 409.7367       332.8082 -58.04389      266.5490 92.17345 40.18016 64.52168 30.81726 27.65176       50.63743 
1 1 1 1   16  0  o 223.4438 11.36623 1207.778       121.0219 0.000000       0.000000 1207.778       121.0219 ?        ?        223.4438 11.36623 0.000000       11.36623 
1 1 1 1   16  1  o 111.2773 13.01766 303.5942       67.94725 0.000000       0.000000 303.5942       67.94725 ?        ?        111.2773 13.01766 0.000000       13.01766 
1 1 1 1   16  2  o 87.64487 14.03998 190.7356       56.84510 0.000000       0.000000 190.7356       56.84510 ?        ?        87.64487 14.03998 0.000000       14.03998 
1 1 1 1   16  3  o 105.7774 13.14838 274.8805       65.06149 0.000000       0.000000 274.8805       65.06149 ?        ?        105.7774 13.14838 0.000000       13.14838 
1 1 1 1   16  4  f 132.0075 13.48486 426.4365       83.91045 0.000000       0.000000 426.4365       83.91045 ?        ?        132.0075 13.48486 0.000000       13.48486 
1 1 1 1   16  5  o 102.7585 15.37765 262.2850       73.22784 0.000000       0.000000 262.2850       73.22784 ?        ?        102.7585 15.37765 0.000000       15.37765 
1 1 1 1   16  6  o 229.9315 9.857398 1275.587       108.1083 0.000000       0.000000 1275.587       108.1083 ?        ?        229.9315 9.857398 0.000000       9.857398 
1 1 1 1   16  7  o 196.1776 9.935983 929.4620       92.88641 0.000000       0.000000 929.4620       92.88641 ?        ?        196.1776 9.935983 0.000000       9.935983 
1 1 1 1   16  8  o 326.6880 13.26405 2591.481       206.7349 0.000000       0.000000 2591.481       206.7349 ?        ?        326.6880 13.26405 0.000000       13.26405 
1 1 1 1   16  9  o 209.5417 12.44089 1066.586       124.0712 0.000000       0.000000 1066.586       124.0712 ?        ?        209.5417 12.44089 0.000000       12.44089 
1 1 1 1   16  10 f 357.4069 9.632274 3079.801       164.4386 0.000000       0.000000 3079.801       164.4386 ?        ?        357.4069 9.632274 0.000000       9.632274 
1 1 1 1   16  11 o 73.39188 19.06545 137.7903       67.49093 0.000000       0.000000 137.7903       67.49093 ?        ?        73.39188 19.06545 0.000000       19.06545 
1 1 1 1   16  12 o 217.1875 10.34964 1141.264       107.1562 1346.134       192.2549 1048.939       129.0622 233.4835 17.34710 207.4476 13.07973 26.03589       21.72558 
1 1 1 1   16  13 o 183.2394 9.766914 812.2688       85.25362 911.9621       155.2377 769.2169       102.0142 191.9311 17.09655 177.7422 12.07671 14.18889       20.93177 
1 1 1 1   16  14 o 114.2909 13.12710 321.6215       70.42735 382.7953       182.1269 310.8657       76.36817 118.5437 31.57299 111.9503 14.61730 6.593430       34.79251 
1 1 1 1   16  15 o 102.2329 22.16061 271.7561       105.1826 279.1963       120.3263 247.6527       216.5744 102.8849 24.76278 99.28583 35.74241 3.599037       43.48236 
1 1 1 1   16  16 o 193.3775 17.35702 929.8558       158.7631 878.8247       211.8370 995.2512       239.8050 184.4379 24.63972 195.4463 26.33328 -11.00833      36.06325 
1 1 1 1   16  17 o 325.1118 13.74422 2584.125       213.1476 2956.338       257.2966 1769.940       380.5397 346.7020 15.56244 256.8628 31.65678 89.83926       35.27522 
1 1 1 1   16  18 o 385.1714 16.75654 3667.719       307.8268 3873.140       416.6428 3420.806       456.7871 390.8205 22.39236 363.1021 26.49574 27.71835       34.69066 
1 1 1 1   16  19 f 123.0788 37.66597 437.5964       242.3366 0.000000       0.000000 437.5964       242.3366 ?        ?        123.0788 37.66597 0.000000       37.66597 
1 1 1 1   16  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16  23 o 103.8953 40.53266 310.6570       290.6725 0.000000       0.000000 310.6570       290.6725 ?        ?        103.8953 40.53266 0.000000       40.53266 
1 1 1 1   16  24 o 197.3598 19.88263 1008.953       185.0492 1113.407       213.0950 688.6273       373.1702 205.6651 22.01432 137.4248 47.11755 68.24031       52.00667 
1 1 1 1   16  25 o 237.1607 24.91500 1536.448       278.2822 1456.045       311.5434 1853.832       618.9755 225.2748 29.64540 201.1382 59.90677 24.13661       66.84064 
1 1 1 1   16  26 o 182.8627 17.84934 871.1772       154.0628 922.2827       191.0219 776.0693       260.5898 184.2890 22.12250 154.3242 35.98467 29.96481       42.24100 
1 1 1 1   16  27 o 75.32953 32.19389 120.8310       205.5157 55.31849       252.2573 250.1496       354.4150 73.99696 33.43822 91.15535 40.52596 -17.15839      52.54016 
1 1 1 1   16  28 o 73.74588 32.04794 111.9287       210.3501 -106.4058      262.0607 507.3947       352.6917 64.86911 30.86362 106.0860 43.51405 -41.21686      53.34824 
1 1 1 1   16  29 o 88.17667 31.17128 268.2906       163.9844 250.9286       170.3404 488.0027       605.9600 85.38323 31.54903 93.06557 44.96444 -7.682335      54.92851 
1 1 1 1   16  30 o 95.93025 38.14138 431.3913       261.7372 634.8721       298.4536 -246.3419      544.6838 111.2155 41.63165 71.78970 36.05101 39.42583       55.07149 
1 1 1 1   17  0  o 291.4497 12.16289 2059.956       169.1037 0.000000       0.000000 2059.956       169.1037 ?        ?        291.4497 12.16289 0.000000       12.16289 
1 1 1 1   17  1  o 86.70361 16.04119 189.1900       64.04547 0.000000       0.000000 189.1900       64.04547 ?        ?        86.70361 16.04119 0.000000       16.04119 
1 1 1 1   17  2  o 146.5777 12.75105 524.6052       88.46738 0.000000       0.000000 524.6052       88.46738 ?        ?        146.5777 12.75105 0.000000       12.75105 
1 1 1 1   17  3  o 250.2116 10.11016 1512.370       120.6920 0.000000       0.000000 1512.370       120.6920 ?        ?        250.2116 10.11016 0.000000       10.11016 
1 1 1 1   17  4  o 280.7029 9.611578 1901.131       128.7979 0.000000       0.000000 1901.131       128.7979 ?        ?        280.7029 9.611578 0.000000       9.611578 
1 1 1 1   17  5  o 280.7239 17.24352 1940.878       230.3100 0.000000       0.000000 1940.878       230.3100 ?        ?        280.7239 17.24352 0.000000       17.24352 
1 1 1 1   17  6  o 301.5385 18.01955 2245.418       258.5886 0.000000       0.000000 2245.418       258.5886 ?        ?        301.5385 18.01955 0.000000       18.01955 
1 1 1 1   17  7  o 69.31261 20.89995 121.0617       74.98958 0.000000       0.000000 121.0617       74.98958 ?        ?        69.31261 20.89995 0.000000       20.89995 
1 1 1 1   17  8  o 93.09149 19.95001 222.5476       86.11948 0.000000       0.000000 222.5476       86.11948 ?        ?        93.09149 19.95001 0.000000       19.95001 
1 1 1 1   17  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17  13 o 163.2720 16.17259 660.8611       124.5838 632.7999       147.6451 730.2379       232.1518 158.2841 19.95316 164.7702 30.59645 -6.486069      36.52768 
1 1 1 1   17  14 o 138.4314 23.23433 495.9341       148.3278 440.0703       200.0159 564.1959       221.0996 126.0748 32.85635 142.9118 33.02332 -16.83710      46.58411 
1 1 1 1   17  15 o 268.7737 9.145936 1745.383       117.3519 2123.684       239.5100 1625.875       134.6178 292.6809 17.19245 258.8166 10.90376 33.86432       20.35859 
1 1 1 1   17  16 o 180.8696 17.64240 818.5123       150.6198 729.9780       166.5318 1216.511       353.0875 169.1401 21.04819 207.1362 37.01329 -37.99615      42.57946 
1 1 1 1   17  17 o 246.5458 15.42600 1504.534       180.9162 1399.665       238.9896 1645.292       276.8804 233.9675 21.60966 252.5883 23.18670 -18.62079      31.69543 
1 1 1 1   17  18 o 88.52547 32.77714 196.2650       184.0270 219.6086       216.7247 135.9346       348.4121 93.41281 35.36575 95.72905 41.42467 -2.316238      54.46778 
1 1 1 1   17  19 o 170.0891 17.83131 732.6826       142.8471 822.7361       174.2100 547.8876       249.5558 178.6058 20.79001 134.6024 37.42781 44.00346       42.81431 
1 1 1 1   17  20 o 143.7975 22.28809 544.9292       148.2707 566.8292       160.1579 413.6121       392.1813 145.8038 23.79581 115.4451 46.42124 30.35866       52.16486 
1 1 1 1   17  21 o 79.97524 27.29424 169.2936       125.1909 90.21300       144.9446 401.5583       248.4041 70.00771 28.19641 113.6685 38.45187 -43.66077      47.68211 
1 1 1 1   17  22 o 204.8745 19.48438 1084.770       188.5512 1031.672       205.7198 1363.644       471.4560 197.6491 22.15138 191.8510 50.66031 5.798111       55.29151 
1 1 1 1   17  23 o 173.6801 20.01931 792.9607       163.1915 888.2657       192.5378 549.8317       307.5223 181.7083 22.65389 123.6906 42.75833 58.01777       48.38877 
1 1 1 1   17  24 o 107.6159 29.89650 353.7414       159.3077 444.7164       189.2984 132.9033       294.9328 118.7001 32.43919 83.95991 37.16697 34.74023       49.33239 
1 1 1 1   17  25 o 109.7675 31.12634 384.5261       170.8304 487.7802       189.9983 -51.14943      390.2812 123.3428 31.96246 78.74802 37.52262 44.59483       49.29043 
1 1 1 1   17  26 o 75.20747 31.46811 140.2492       189.6082 1.929160       312.4438 220.8848       238.5573 74.50051 34.90914 84.84733 35.38411 -10.34682      49.70596 
1 1 1 1   17  27 o 65.30790 29.21393 50.08296       187.1480 488.5400       290.3819 -261.4291      244.7617 104.8453 40.62163 55.41255 27.16818 49.43270       48.86949 
1 1 1 1   17  28 o 88.88878 30.69843 282.3384       158.4991 279.8616       164.0954 316.8050       612.1348 87.99699 31.17487 84.81117 41.85066 3.185814       52.18573 
1 1 1 1   18  0  o 153.3647 12.20134 573.6185       88.72553 0.000000       0.000000 573.6185       88.72553 ?        ?        153.3647 12.20134 0.000000       12.20134 
1 1 1 1   18  1  o 122.0603 14.05671 367.3132       80.53271 0.000000       0.000000 367.3132       80.53271 ?        ?        122.0603 14.05671 0.000000       14.05671 
1 1 1 1   18  2  o 236.4178 10.43746 1352.534       117.6824 0.000000       0.000000 1352.534       117.6824 ?        ?        236.4178 10.43746 0.000000       10.43746 
1 1 1 1   18  3  o 163.9960 11.95582 655.0500       93.09524 0.000000       0.000000 655.0500       93.09524 ?        ?        163.9960 11.95582 0.000000       11.95582 
1 1 1 1   18  4  o 174.6767 12.91248 745.0350       107.0709 0.000000       0.000000 745.0350       107.0709 ?        ?        174.6767 12.91248 0.000000       12.91248 
1 1 1 1   18  5  o 265.9410 9.777170 1708.823       124.0986 0.000000       0.000000 1708.823       124.0986 ?        ?        265.9410 9.777170 0.000000       9.777170 
1 1 1 1   18  6  o 202.1859 10.43149 990.4038       100.4927 0.000000       0.000000 990.4038       100.4927 ?        ?        202.1859 10.43149 0.000000       10.43149 
1 1 1 1   18  7  o 114.7241 12.98919 323.9055       69.99157 0.000000       0.000000 323.9055       69.99157 ?        ?        114.7241 12.98919 0.000000       12.98919 
1 1 1 1   18  8  o 323.2424 9.417626 2522.968       145.3834 0.000000       0.000000 2522.968       145.3834 ?        ?        323.2424 9.417626 0.000000       9.417626 
1 1 1 1   18  9  f 286.4084 10.05504 1984.553       137.4687 0.000000       0.000000 1984.553       137.4687 ?        ?        286.4084 10.05504 0.000000       10.05504 
1 1 1 1   18  10 o 127.9695 12.66090 402.1077       76.44621 0.000000       0.000000 402.1077       76.44621 ?        ?        127.9695 12.66090 0.000000       12.66090 
1 1 1 1   18  11 o 46.61135 19.42696 15.90211       71.84729 0.000000       0.000000 15.90211       71.84729 ?        ?        46.61135 19.42696 0.000000       19.42696 
1 1 1 1   18  12 o 216.3087 13.94860 1149.747       143.4801 0.000000       0.000000 1149.747       143.4801 ?        ?        216.3087 13.94860 0.000000       13.94860 
1 1 1 1   18  13 o 123.5919 16.26256 383.6878       93.76260 0.000000       0.000000 383.6878       93.76260 ?        ?        123.5919 16.26256 0.000000       16.26256 
1 1 1 1   18  14 o 104.3825 14.64614 273.0544       71.08209 0.000000       0.000000 273.0544       71.08209 ?        ?        104.3825 14.64614 0.000000       14.64614 
1 1 1 1   18  15 o 34.17273 14.91689 -6.912302      46.00432 96.50900       192.6917 -13.16358      47.37428 77.65266 32.03989 33.63511 14.89235 44.01756       35.33180 
1 1 1 1   18  16 o 97.58158 16.11653 242.3380       72.56541 270.6335       129.4508 229.3724       87.62760 99.17796 26.70924 93.42001 20.20824 5.757942       33.49264 
1 1 1 1   18  17 o 84.72152 18.85094 188.0534       74.38583 213.8321       130.2695 175.5815       90.61058 88.34921 27.71360 80.98470 22.56546 7.364510       35.73854 
1 1 1 1   18  18 o 74.19114 29.12497 116.3092       150.8596 129.5826       213.8444 103.1584       212.8545 82.08942 33.79962 79.44639 33.29834 2.643028       47.44675 
1 1 1 1   18  19 o 71.61620 30.80790 52.37875       190.4977 53.47772       220.4269 49.13604       378.6393 75.35626 32.77655 89.59411 40.67781 -14.23785      52.23970 
1 1 1 1   18  20 o 44.44945 21.79310 -262.0114      157.4927 -359.7501      215.8740 -150.7924      230.2800 50.97768 25.09719 62.39531 29.46337 -11.41762      38.70347 
1 1 1 1   18  21 o 145.0257 23.50135 578.2036       157.3750 612.6804       169.7663 367.5606       419.6250 148.2853 24.82331 104.1614 45.26519 44.12395       51.62493 
1 1 1 1   18  22 o 170.7776 20.75361 785.6761       165.9723 772.1679       198.5847 816.9745       302.2785 164.1516 26.18321 150.3258 40.95527 13.82581       48.60962 
1 1 1 1   18  23 o 54.14788 24.80107 -39.38960      144.7629 -10.40744      166.3683 -129.7420      293.7481 59.88225 27.09844 67.99849 32.44298 -8.116241      42.27142 
1 1 1 1   18  24 o 62.45200 29.85402 -135.7978      251.2775 -321.2340      291.0347 407.2482       498.0418 59.70862 29.34519 97.43222 45.11898 -37.72360      53.82251 
1 1 1 1   18  25 o 94.93936 33.63059 327.8414       190.9615 317.4482       306.1819 334.4579       244.2979 89.52271 38.78587 92.46146 36.82046 -2.938744      53.47981 
1 1 1 1   18  26 o 137.5389 25.82787 586.3452       163.5981 499.0506       208.4300 726.4268       264.0323 113.2799 34.98008 131.1898 39.13897 -17.90984      52.49253 
1 1 1 1   19  0  o 49.81811 17.98052 52.92881       54.85025 0.000000       0.000000 52.92881       54.85025 ?        ?        49.81811 17.98052 0.000000       17.98052 
1 1 1 1   19  1  o 111.4204 13.94323 308.2415       72.65231 0.000000       0.000000 308.2415       72.65231 ?        ?        111.4204 13.94323 0.000000       13.94323 
1 1 1 1   19  2  o 110.5092 16.64300 307.9222       85.20424 0.000000       0.000000 307.9222       85.20424 ?        ?        110.5092 16.64300 0.000000       16.64300 
1 1 1 1   19  3  o 401.2022 13.18459 3935.535       252.5503 0.000000       0.000000 3935.535       252.5503 ?        ?        401.2022 13.18459 0.000000       13.18459 
1 1 1 1   19  4  o 202.4722 11.14631 998.2499       107.4796 0.000000       0.000000 998.2499       107.4796 ?        ?        202.4722 11.14631 0.000000       11.14631 
1 1 1 1   19  5  o 32.63516 15.45482 -72.31885      64.22045 0.000000       0.000000 -72.31885      64.22045 ?        ?        32.63516 15.45482 0.000000       15.45482 
1 1 1 1   19  6  o 65.60863 16.78868 110.6624       52.87243 0.000000       0.000000 110.6624       52.87243 ?        ?        65.60863 16.78868 0.000000       16.78868 
1 1 1 1   19  7  o 164.1371 11.52355 658.4731       89.85309 0.000000       0.000000 658.4731       89.85309 ?        ?        164.1371 11.52355 0.000000       11.52355 
1 1 1 1   19  8  o 179.9292 12.65086 794.4669       108.1318 0.000000       0.000000 794.4669       108.1318 ?        ?        179.9292 12.65086 0.000000       12.65086 
1 1 1 1   19  9  o 155.3289 12.94711 594.1499       95.27293 0.000000       0.000000 594.1499       95.27293 ?        ?        155.3289 12.94711 0.000000       12.94711 
1 1 1 1   19  10 o 28.49100 12.92893 -21.03745      38.19019 0.000000       0.000000 -21.03745      38.19019 ?        ?        28.49100 12.92893 0.000000       12.92893 
1 1 1 1   19  11 o 229.2426 10.90443 1281.625       119.1680 0.000000       0.000000 1281.625       119.1680 ?        ?        229.2426 10.90443 0.000000       10.90443 
1 1 1 1   19  12 o 80.60899 17.22894 168.1302       64.38358 0.000000       0.000000 168.1302       64.38358 ?        ?        80.60899 17.22894 0.000000       17.22894 
1 1 1 1   19  13 o 68.95657 22.57698 121.3448       85.78153 0.000000       0.000000 121.3448       85.78153 ?        ?        68.95657 22.57698 0.000000       22.57698 
1 1 1 1   19  14 o 70.26989 18.69630 129.4237       63.90524 0.000000       0.000000 129.4237       63.90524 ?        ?        70.26989 18.69630 0.000000       18.69630 
1 1 1 1   19  15 o 122.7513 14.36349 378.0195       82.70159 0.000000       0.000000 378.0195       82.70159 ?        ?        122.7513 14.36349 0.000000       14.36349 
1 1 1 1   19  16 o 225.1488 10.23688 1239.095       109.9026 1158.692       200.7029 1273.530       131.3449 211.1949 20.12034 227.2560 12.13295 -16.06110      23.49546 
1 1 1 1   19  17 o 219.3681 9.877563 1177.148       103.3276 1301.297       199.4198 1131.585       120.8092 224.2115 18.77608 214.0037 11.85415 10.20781       22.20501 
1 1 1 1   19  18 o 334.4361 12.60935 2780.162       201.2498 2680.515       337.3593 2835.214       250.7536 315.5215 22.51220 334.1976 15.73828 -18.67603      27.46803 
1 1 1 1   19  19 o 127.7354 13.44205 412.6014       80.86007 420.7165       224.4252 411.3908       86.68188 110.9365 36.52834 126.9688 14.54189 -16.03227      39.31648 
1 1 1 1   19  20 o 71.21439 30.82528 82.65838       193.0359 154.6555       225.7106 -113.4196      372.4850 80.06788 33.96164 75.59545 36.19386 4.472427       49.63253 
1 1 1 1   19  21 o 123.0168 29.10990 467.8770       168.5185 325.0333       233.6148 622.8408       243.3240 95.94619 36.62498 132.5883 36.99094 -36.64207      52.05496 
1 1 1 1   19  22 o 126.4560 29.38683 507.6885       174.2725 451.4663       239.0597 571.4528       254.5899 107.7112 37.67184 120.5409 38.85247 -12.82965      54.11729 
1 1 1 1   19  23 o 124.4559 33.81892 557.6730       206.4295 682.0305       271.8529 388.3180       317.2466 126.8195 40.06945 92.82919 39.84259 33.99036       56.50657 
1 1 1 1   19  24 o 75.97230 32.66245 189.2842       213.8819 533.2271       294.4440 -194.9197      311.2005 102.7479 40.58070 62.07423 30.47504 40.67372       50.74959 
1 1 1 1   20  0  o 59.55402 22.61181 71.63268       88.74827 0.000000       0.000000 71.63268       88.74827 ?        ?        59.55402 22.61181 0.000000       22.61181 
1 1 1 1   20  1  o 384.9393 16.05472 3686.556       294.8146 0.000000       0.000000 3686.556       294.8146 ?        ?        384.9393 16.05472 0.000000       16.05472 
1 1 1 1   20  2  o 64.42699 22.49529 99.27290       85.22112 0.000000       0.000000 99.27290       85.22112 ?        ?        64.42699 22.49529 0.000000       22.49529 
1 1 1 1   20  3  o 191.4784 12.75953 901.8752       116.1389 0.000000       0.000000 901.8752       116.1389 ?        ?        191.4784 12.75953 0.000000       12.75953 
1 1 1 1   20  4  o 172.4707 12.10931 730.4554       99.21432 0.000000       0.000000 730.4554       99.21432 ?        ?        172.4707 12.10931 0.000000       12.10931 
1 1 1 1   20  5  o 73.14575 17.66599 139.1639       61.07659 0.000000       0.000000 139.1639       61.07659 ?        ?        73.14575 17.66599 0.000000       17.66599 
1 1 1 1   20  6  o 61.00558 20.77586 90.41934       72.52876 0.000000       0.000000 90.41934       72.52876 ?        ?        61.00558 20.77586 0.000000       20.77586 
1 1 1 1   20  7  o 89.96787 15.55051 206.1817       64.46809 0.000000       0.000000 206.1817       64.46809 ?        ?        89.96787 15.55051 0.000000       15.55051 
1 1 1 1   20  8  o 49.19088 19.51748 38.14877       68.40037 0.000000       0.000000 38.14877       68.40037 ?        ?        49.19088 19.51748 0.000000       19.51748 
1 1 1 1   20  9  o 163.4657 13.24607 662.4406       102.6333 0.000000       0.000000 662.4406       102.6333 ?        ?        163.4657 13.24607 0.000000       13.24607 
1 1 1 1   20  10 o 93.51591 17.92505 227.7556       77.22516 0.000000       0.000000 227.7556       77.22516 ?        ?        93.51591 17.92505 0.000000       17.92505 
1 1 1 1   20  11 o 53.83559 17.36734 72.49657       50.86378 0.000000       0.000000 72.49657       50.86378 ?        ?        53.83559 17.36734 0.000000       17.36734 
1 1 1 1   20  12 o 78.10551 18.42329 161.9086       67.67258 0.000000       0.000000 161.9086       67.67258 ?        ?        78.10551 18.42329 0.000000       18.42329 
1 1 1 1   20  13 o 135.3399 16.01800 468.5081       101.6369 0.000000       0.000000 468.5081       101.6369 ?        ?        135.3399 16.01800 0.000000       16.01800 
1 1 1 1   20  14 o 95.16383 17.17887 237.5893       75.28291 0.000000       0.000000 237.5893       75.28291 ?        ?        95.16383 17.17887 0.000000       17.17887 
1 1 1 1   20  15 o 129.5611 14.29293 426.7407       87.06319 0.000000       0.000000 426.7407       87.06319 ?        ?        129.5611 14.29293 0.000000       14.29293 
1 1 1 1   20  16 o 80.52603 23.51313 184.1268       96.14350 0.000000       0.000000 184.1268       96.14350 ?        ?        80.52603 23.51313 0.000000       23.51313 
1 1 1 1   20  17 o 50.82286 20.86988 38.79963       81.24599 0.000000       0.000000 38.79963       81.24599 ?        ?        50.82286 20.86988 0.000000       20.86988 
1 1 1 1   20  18 o 197.0949 11.30994 968.6361       106.1248 1071.954       189.8490 921.6784       127.9891 198.7013 20.26829 190.0145 14.19143 8.686813       24.74268 
1 1 1 1   20  19 o 108.4277 14.55718 305.8765       73.55677 100.2049       163.9444 357.7141       82.30607 68.28342 28.95285 117.0529 15.05585 -48.76952      32.63351 
1 1 1 1   20  20 o 175.1244 12.81852 782.9841       106.5796 739.0420       241.9323 793.5656       118.7205 142.1930 35.65702 174.9506 14.31907 -32.75755      38.42472 
1 1 1 1   20  21 o 153.6142 14.07709 615.1825       102.2356 545.3455       243.5231 630.1246       112.6429 112.8128 38.07245 154.1608 15.49331 -41.34800      41.10419 
1 1 1 1   21  0  o 66.74402 23.85131 111.3743       96.24754 0.000000       0.000000 111.3743       96.24754 ?        ?        66.74402 23.85131 0.000000       23.85131 
1 1 1 1   21  1  o 114.8649 14.43868 334.2275       77.54321 0.000000       0.000000 334.2275       77.54321 ?        ?        114.8649 14.43868 0.000000       14.43868 
1 1 1 1   21  2  o 125.4983 18.31392 410.7770       106.6454 0.000000       0.000000 410.7770       106.6454 ?        ?        125.4983 18.31392 0.000000       18.31392 
1 1 1 1   21  3  o 167.9872 13.20980 704.5981       105.2385 0.000000       0.000000 704.5981       105.2385 ?        ?        167.9872 13.20980 0.000000       13.20980 
1 1 1 1   21  4  o 137.0366 14.15536 473.4110       91.40641 0.000000       0.000000 473.4110       91.40641 ?        ?        137.0366 14.15536 0.000000       14.15536 
1 1 1 1   21  5  o 187.2700 12.03534 869.3014       107.1839 0.000000       0.000000 869.3014       107.1839 ?        ?        187.2700 12.03534 0.000000       12.03534 
1 1 1 1   21  6  o 113.4305 15.29059 329.0521       80.81069 0.000000       0.000000 329.0521       80.81069 ?        ?        113.4305 15.29059 0.000000       15.29059 
1 1 1 1   21  7  o 97.48137 18.58214 252.0943       83.44123 0.000000       0.000000 252.0943       83.44123 ?        ?        97.48137 18.58214 0.000000       18.58214 
1 1 1 1   21  8  o 124.2032 14.57017 392.2003       84.87483 0.000000       0.000000 392.2003       84.87483 ?        ?        124.2032 14.57017 0.000000       14.57017 
1 1 1 1   21  9  o 212.6077 10.83540 1114.917       109.7735 0.000000       0.000000 1114.917       109.7735 ?        ?        212.6077 10.83540 0.000000       10.83540 
1 1 1 1   21  10 o 42.24508 16.62547 30.28403       49.26401 0.000000       0.000000 30.28403       49.26401 ?        ?        42.24508 16.62547 0.000000       16.62547 
1 1 1 1   21  11 o 123.6044 13.86432 388.0147       80.51907 0.000000       0.000000 388.0147       80.51907 ?        ?        123.6044 13.86432 0.000000       13.86432 
1 1 1 1   21  12 o 145.9746 15.97254 550.8831       109.6529 0.000000       0.000000 550.8831       109.6529 ?        ?        145.9746 15.97254 0.000000       15.97254 
1 1 1 1   21  13 o 148.8378 14.27278 566.0330       100.3186 0.000000       0.000000 566.0330       100.3186 ?        ?        148.8378 14.27278 0.000000       14.27278 
1 1 1 1   21  14 o 30.31275 14.47675 -68.83025      58.79037 0.000000       0.000000 -68.83025      58.79037 ?        ?        30.31275 14.47675 0.000000       14.47675 
1 1 1 1   21  15 o 50.28325 22.00227 12.65000       100.6136 0.000000       0.000000 12.65000       100.6136 ?        ?        50.28325 22.00227 0.000000       22.00227 
1 1 1 1   21  16 o 144.6169 17.03321 559.3335       115.5109 0.000000       0.000000 559.3335       115.5109 ?        ?        144.6169 17.03321 0.000000       17.03321 
1 1 1 1   21  17 o 56.44876 22.25224 74.68887       88.38274 0.000000       0.000000 74.68887       88.38274 ?        ?        56.44876 22.25224 0.000000       22.25224 
1 1 1 1   22  0  o 60.83503 21.91229 94.93842       81.41134 0.000000       0.000000 94.93842       81.41134 ?        ?        60.83503 21.91229 0.000000       21.91229 
1 1 1 1   22  1  o 41.11422 16.23571 28.94339       47.12437 0.000000       0.000000 28.94339       47.12437 ?        ?        41.11422 16.23571 0.000000       16.23571 
1 1 1 1   22  2  o 104.9030 14.76145 284.8745       71.98819 0.000000       0.000000 284.8745       71.98819 ?        ?        104.9030 14.76145 0.000000       14.76145 
1 1 1 1   22  3  o 96.47561 25.44992 276.1353       119.0576 0.000000       0.000000 276.1353       119.0576 ?        ?        96.47561 25.44992 0.000000       25.44992 
1 1 1 1   22  4  o 209.5760 14.31603 1120.929       142.5794 0.000000       0.000000 1120.929       142.5794 ?        ?        209.5760 14.31603 0.000000       14.31603 
1 1 1 1   22  5  o 113.9295 43.82493 574.8470       336.2246 0.000000       0.000000 574.8470       336.2246 ?        ?        113.9295 43.82493 0.000000       43.82493 
1 1 1 1   22  6  o 45.23994 19.63899 7.154544       78.81693 0.000000       0.000000 7.154544       78.81693 ?        ?        45.23994 19.63899 0.000000       19.63899 
1 1 1 1   22  7  f 215.5262 14.98626 1197.093       153.4574 0.000000       0.000000 1197.093       153.4574 ?        ?        215.5262 14.98626 0.000000       14.98626 
1 1 1 1   22  8  o 85.12476 22.77567 211.0036       94.50519 0.000000       0.000000 211.0036       94.50519 ?        ?        85.12476 22.77567 0.000000       22.77567 
1 1 1 1   22  9  o 110.6233 14.94766 319.7630       77.03381 0.000000       0.000000 319.7630       77.03381 ?        ?        110.6233 14.94766 0.000000       14.94766 
1 1 1 1   22  10 f 132.7314 13.41064 452.3185       83.93440 0.000000       0.000000 452.3185       83.93440 ?        ?        132.7314 13.41064 0.000000       13.41064 
1 1 1 1   22  11 o 93.43257 20.32317 247.5069       88.19209 0.000000       0.000000 247.5069       88.19209 ?        ?        93.43257 20.32317 0.000000       20.32317 
1 1 1 2   -20 0  o 272.0213 11.03736 1830.843       143.2431 1830.843       143.2431 0.000000       0.000000 272.0213 11.03736 ?        ?        0.000000       11.03736 
1 1 1 2   -20 1  f 156.7686 14.83384 627.9233       109.8562 627.9233       109.8562 0.000000       0.000000 156.7686 14.83384 ?        ?        0.000000       14.83384 
1 1 1 2   -20 2  o 83.78310 23.03852 199.8287       95.14393 199.8287       95.14393 0.000000       0.000000 83.78310 23.03852 ?        ?        0.000000       23.03852 
1 1 1 2   -20 3  f 111.4724 18.08394 331.0201       93.07641 331.0201       93.07641 0.000000       0.000000 111.4724 18.08394 ?        ?        0.000000       18.08394 
1 1 1 2   -20 4  o 195.8304 13.59426 970.8448       126.4852 970.8448       126.4852 0.000000       0.000000 195.8304 13.59426 ?        ?        0.000000       13.59426 
1 1 1 2   -20 5  o 45.50282 19.61544 10.12556       77.53687 10.12556       77.53687 0.000000       0.000000 45.50282 19.61544 ?        ?        0.000000       19.61544 
1 1 1 2   -20 6  o 101.2264 25.77015 305.7384       125.0206 305.7384       125.0206 0.000000       0.000000 101.2264 25.77015 ?        ?        0.000000       25.77015 
1 1 1 2   -20 7  o 101.6128 18.08733 278.2210       84.64691 278.2210       84.64691 0.000000       0.000000 101.6128 18.08733 ?        ?        0.000000       18.08733 
1 1 1 2   -19 0  o 90.53165 19.95233 218.7176       84.02654 218.7176       84.02654 0.000000       0.000000 90.53165 19.95233 ?        ?        0.000000       19.95233 
1 1 1 2   -19 1  o 76.21436 18.99360 154.5874       68.95647 154.5874       68.95647 0.000000       0.000000 76.21436 18.99360 ?        ?        0.000000       18.99360 
1 1 1 2   -19 2  o 130.4170 15.69290 432.5497       95.88283 432.5497       95.88283 0.000000       0.000000 130.4170 15.69290 ?        ?        0.000000       15.69290 
1 1 1 2   -19 3  o 150.3612 16.42341 576.9037       116.1437 576.9037       116.1437 0.000000       0.000000 150.3612 16.42341 ?        ?        0.000000       16.42341 
1 1 1 2   -19 4  o 68.86478 19.27955 126.3629       65.97518 126.3629       65.97518 0.000000       0.000000 68.86478 19.27955 ?        ?        0.000000       19.27955 
1 1 1 2   -19 5  o 50.23749 22.25160 -11.84834      105.8614 -11.84834      105.8614 0.000000       0.000000 50.23749 22.25160 ?        ?        0.000000       22.25160 
1 1 1 2   -19 6  o 96.40533 17.25818 242.6479       76.62248 242.6479       76.62248 0.000000       0.000000 96.40533 17.25818 ?        ?        0.000000       17.25818 
1 1 1 2   -19 7  o 74.95723 16.78806 147.8772       58.66398 328.3812       126.1606 98.08186       66.26350 108.0567 24.92849 61.48551 19.82176 46.57119       31.84858 
1 1 1 2   -19 8  o 115.0052 12.37261 330.9652       66.95914 340.6210       88.12978 317.7797       102.9853 114.7617 16.53951 108.6230 20.58425 6.138718       26.40581 
1 1 1 2   -19 9  o 63.43179 20.05222 106.7485       68.07387 87.84322       107.1789 119.5320       88.13349 63.23029 24.62843 67.21092 22.90181 -3.980637      33.63112 
1 1 1 2   -19 10 o 49.49415 16.66703 60.64520       46.67002 126.9369       118.4450 48.46159       50.77792 70.13654 26.23235 46.85784 17.24069 23.27869       31.39073 
1 1 1 2   -19 11 o 82.79379 18.76898 186.2133       72.57259 365.7657       131.9751 108.3850       86.88905 112.3133 25.19955 64.30745 22.69396 48.00587       33.91214 
1 1 1 2   -19 12 o 83.15620 22.23940 196.5965       90.13116 284.0669       174.9777 165.0063       105.1546 93.39484 32.25478 75.72443 25.00710 17.67041       40.81330 
1 1 1 2   -18 0  o 193.6091 12.20362 918.9163       112.3848 918.9163       112.3848 0.000000       0.000000 193.6091 12.20362 ?        ?        0.000000       12.20362 
1 1 1 2   -18 1  o 32.23542 14.62648 -26.06014      48.86055 -26.06014      48.86055 0.000000       0.000000 32.23542 14.62648 ?        ?        0.000000       14.62648 
1 1 1 2   -18 2  o 100.9303 14.55092 255.6193       68.18796 255.6193       68.18796 0.000000       0.000000 100.9303 14.55092 ?        ?        0.000000       14.55092 
1 1 1 2   -18 3  o 227.3587 10.90204 1259.843       118.1572 1259.843       118.1572 0.000000       0.000000 227.3587 10.90204 ?        ?        0.000000       10.90204 
1 1 1 2   -18 4  o 145.7483 27.55178 577.6792       184.9503 577.6792       184.9503 0.000000       0.000000 145.7483 27.55178 ?        ?        0.000000       27.55178 
1 1 1 2   -18 5  o 116.1796 13.87074 336.3198       75.52361 336.3198       75.52361 0.000000       0.000000 116.1796 13.87074 ?        ?        0.000000       13.87074 
1 1 1 2   -18 6  o 188.1449 10.15903 862.3754       91.04148 924.4952       128.1287 799.0319       129.3847 193.2413 13.96294 178.9781 15.26640 14.26321       20.68880 
1 1 1 2   -18 7  o 106.3417 12.51053 280.8952       62.38905 234.5746       80.71010 349.6659       98.34280 94.99729 18.43595 116.5772 18.24265 -21.57996      25.93604 
1 1 1 2   -18 8  o 87.43590 14.64603 194.2579       59.06019 36.36819       150.4574 223.0179       64.21429 64.58608 27.57264 93.75995 14.81710 -29.17387      31.30171 
1 1 1 2   -18 9  o 139.6147 11.81730 481.4075       78.13820 642.1910       135.9823 402.1481       95.47443 158.0942 18.33046 125.7068 16.26725 32.38737       24.50774 
1 1 1 2   -18 10 o 125.3591 14.36081 395.5843       84.51646 612.3916       198.6708 347.6783       93.38825 146.2180 29.43972 116.1044 17.35609 30.11361       34.17500 
1 1 1 2   -18 11 o 96.60607 14.56814 237.3838       65.19463 370.9103       130.2585 192.7557       75.30550 116.0201 24.26504 85.19289 18.97571 30.82716       30.80373 
1 1 1 2   -18 12 o 36.62502 15.88502 -2.585850      51.47092 48.85386       161.3278 -8.415282      54.30916 66.50125 28.47472 36.63794 16.09434 29.86331       32.70837 
1 1 1 2   -18 13 f 42.66124 18.44562 1.798799       68.96871 163.4124       102.3004 -132.8635      93.38161 76.96001 24.61124 36.34428 17.58191 40.61574       30.24627 
1 1 1 2   -18 14 o 102.1142 16.31848 271.3181       76.98554 321.7139       119.2392 235.2939       100.8136 106.8462 23.93775 91.54497 23.05184 15.30119       33.23256 
1 1 1 2   -18 15 o 50.60575 21.94241 11.73668       98.15205 335.2462       329.1749 -19.83304      102.8297 98.07394 41.27599 48.00320 21.54995 50.07074       46.56294 
1 1 1 2   -18 16 o 47.83619 21.10077 -2.435683      94.25415 88.21647       204.1849 -26.98300      106.2519 72.42233 31.52260 47.81547 21.64514 24.60686       38.23854 
1 1 1 2   -17 0  o 123.8081 15.42807 381.6591       89.34471 381.6591       89.34471 0.000000       0.000000 123.8081 15.42807 ?        ?        0.000000       15.42807 
1 1 1 2   -17 1  o 80.41264 21.27947 168.4246       83.06760 168.4246       83.06760 0.000000       0.000000 80.41264 21.27947 ?        ?        0.000000       21.27947 
1 1 1 2   -17 2  o 58.41331 17.68065 85.48737       53.59443 85.48737       53.59443 0.000000       0.000000 58.41331 17.68065 ?        ?        0.000000       17.68065 
1 1 1 2   -17 3  o 164.7106 11.47354 661.8392       89.78497 661.8392       89.78497 0.000000       0.000000 164.7106 11.47354 ?        ?        0.000000       11.47354 
1 1 1 2   -17 4  o 186.3367 11.09389 845.3364       98.38298 845.3364       98.38298 0.000000       0.000000 186.3367 11.09389 ?        ?        0.000000       11.09389 
1 1 1 2   -17 5  f 103.7863 12.57428 266.1163       61.12146 123.0557       102.4742 345.1172       76.15007 71.38918 24.68233 118.0398 13.75098 -46.65057      28.25433 
1 1 1 2   -17 6  o 198.8951 8.776495 956.6396       83.24971 1034.502       113.9156 867.3895       121.9615 205.9718 11.61530 187.8204 13.67595 18.15146       17.94288 
1 1 1 2   -17 7  o 157.8555 11.57069 609.0396       86.71616 574.2669       152.6540 625.6063       105.3673 149.0653 22.08752 159.2068 13.98515 -10.14153      26.14274 
1 1 1 2   -17 8  o 160.2285 11.25252 626.9229       85.65010 453.6135       157.8725 699.2109       101.9597 130.0539 26.29570 168.7718 12.73017 -38.71782      29.21509 
1 1 1 2   -17 9  o 140.6470 11.68730 484.7095       77.87804 396.2666       134.2075 529.6095       95.62434 122.4559 23.78138 146.3663 13.82926 -23.91040      27.51004 
1 1 1 2   -17 10 o 149.0211 13.42069 548.1832       94.59274 706.5402       189.4935 495.6260       109.1672 163.5602 25.02777 140.4754 16.57356 23.08481       30.01786 
1 1 1 2   -17 11 o 94.55054 14.30242 224.5843       62.63405 232.3425       122.7130 221.8511       72.83617 92.47131 26.43368 93.09271 16.99115 -0.6213989     31.42354 
1 1 1 2   -17 12 o 54.46283 18.14185 71.92635       55.31214 -107.9260      157.1046 97.37430       59.09588 53.73294 25.03827 61.63972 18.54610 -7.906788      31.15884 
1 1 1 2   -17 13 o 56.37101 19.10020 77.12096       61.29277 185.8887       99.05727 9.642396       78.02239 82.83778 23.77180 46.72398 19.89842 36.11379       31.00074 
1 1 1 2   -17 14 o 52.48792 19.36056 59.52544       64.09973 -4.636680      102.3740 100.9005       82.20905 50.61624 22.16977 63.83332 22.10560 -13.21708      31.30745 
1 1 1 2   -17 15 o 85.56949 20.40546 196.5351       82.30022 -35.71558      194.3319 247.2944       90.84967 64.43115 29.20906 96.21047 20.38566 -31.77932      35.61943 
1 1 1 2   -17 16 o 80.32241 19.53824 172.8543       74.30013 165.4073       128.3479 176.6078       91.12093 78.42981 27.58993 80.26844 22.72322 -1.838631      35.74281 
1 1 1 2   -17 17 o 47.88677 20.17314 20.19183       78.74749 74.91003       207.8603 11.02228       85.09021 73.70291 31.94451 48.04870 20.62865 25.65421       38.02621 
1 1 1 2   -17 18 o 67.95623 22.86683 124.2871       87.84895 137.1911       279.5031 122.8726       92.53858 82.92193 36.46584 67.87931 23.45591 15.04262       43.35824 
1 1 1 2   -17 19 o 62.03306 22.87717 95.83091       89.49337 212.3877       292.8739 83.82682       93.98888 87.49991 37.92147 60.35262 23.18250 27.14729       44.44622 
1 1 1 2   -16 0  o 288.3512 9.524476 2007.207       131.1218 2007.207       131.1218 0.000000       0.000000 288.3512 9.524476 ?        ?        0.000000       9.524476 
1 1 1 2   -16 1  o 62.85918 21.06336 93.96064       74.54425 93.96064       74.54425 0.000000       0.000000 62.85918 21.06336 ?        ?        0.000000       21.06336 
1 1 1 2   -16 2  o 298.4933 8.979707 2148.171       128.0003 2148.171       128.0003 0.000000       0.000000 298.4933 8.979707 ?        ?        0.000000       8.979707 
1 1 1 2   -16 3  o 210.8531 11.27405 1078.546       113.2365 1078.546       113.2365 0.000000       0.000000 210.8531 11.27405 ?        ?        0.000000       11.27405 
1 1 1 2   -16 4  o 77.81120 13.14076 150.9276       47.14537 193.9841       57.97321 66.84721       81.01319 88.19096 14.23432 58.14550 21.70544 30.04547       25.95654 
1 1 1 2   -16 5  o 50.86570 16.40030 61.99797       45.36117 19.76481       55.70512 145.1225       78.15070 42.82510 17.39613 75.20077 20.95765 -32.37566      27.23689 
1 1 1 2   -16 6  o 329.7206 10.05786 2626.541       158.3623 2728.618       192.4865 2412.719       278.5873 335.3154 12.02658 311.9288 18.76769 23.38660       22.29047 
1 1 1 2   -16 7  o 275.5683 8.655848 1830.492       113.8960 1687.214       181.5435 1923.490       146.2611 262.5671 14.51865 281.8152 10.87607 -19.24808      18.14056 
1 1 1 2   -16 8  o 201.0027 9.819393 977.6717       94.07596 1009.307       155.9880 959.5872       117.9388 202.1286 16.27951 198.3852 12.49833 3.743347       20.52390 
1 1 1 2   -16 9  o 257.4386 12.37351 1614.503       151.8454 1491.864       224.0011 1718.772       206.5432 244.1614 19.34762 263.7670 16.46085 -19.60561      25.40256 
1 1 1 2   -16 10 o 42.45663 18.64680 -13.67672      72.86945 -81.32944      166.9916 2.235287       80.98682 58.53321 26.74448 47.02565 20.15607 11.50756       33.48932 
1 1 1 2   -16 11 o 202.6909 10.38763 997.3156       100.3248 792.4857       173.4515 1100.292       122.9845 176.4372 20.97257 212.3327 12.16597 -35.89549      24.24581 
1 1 1 2   -16 12 o 264.4269 11.21480 1700.776       141.4550 1763.917       196.2466 1632.494       204.0782 267.2680 15.42395 256.3578 16.74267 10.91025       22.76434 
1 1 1 2   -16 13 o 156.5101 11.83006 599.4130       87.86382 553.6543       134.8397 633.1801       115.8316 147.4487 19.61398 159.6469 15.36559 -12.19814      24.91605 
1 1 1 2   -16 14 o 50.86599 20.07672 40.87169       72.02689 24.77756       170.5855 44.36349       79.45717 67.82247 29.16434 53.14821 21.05242 14.67426       35.96892 
1 1 1 2   -16 15 o 65.26443 21.51030 106.2177       77.81573 198.0167       186.9598 86.98265       85.58086 88.94216 33.01760 62.06317 22.45153 26.87899       39.92785 
1 1 1 2   -16 16 o 54.94373 20.09855 65.85533       68.84888 184.6803       118.2044 4.845449       84.69933 82.86594 26.45046 47.85754 20.56442 35.00841       33.50407 
1 1 1 2   -16 17 o 112.7844 17.79466 328.2287       92.77280 311.1393       237.9798 331.2912       100.7431 102.3995 37.38115 112.5661 19.42123 -10.16657      42.12523 
1 1 1 2   -16 18 o 43.99538 19.57004 -18.52000      82.76012 150.4989       270.4605 -35.98089      86.92993 87.26650 37.10185 43.11400 19.54143 44.15250       41.93346 
1 1 1 2   -16 19 o 145.4838 14.04210 531.4727       96.45634 819.5538       190.0513 431.5216       111.9457 174.2379 23.40649 128.5694 18.76507 45.66847       29.99986 
1 1 1 2   -16 20 o 53.41107 18.65821 68.99687       58.63208 -103.1483      178.4696 89.82441       62.07772 56.35526 26.39930 58.98667 19.19909 -2.631413      32.64243 
1 1 1 2   -16 21 o 51.96921 18.78122 63.44188       59.86813 -266.0900      201.4090 95.37970       62.70222 51.19735 25.00447 60.13019 19.27198 -8.932838      31.56949 
1 1 1 2   -15 0  o 302.0444 9.235236 2198.493       133.2038 2198.493       133.2038 0.000000       0.000000 302.0444 9.235236 ?        ?        0.000000       9.235236 
1 1 1 2   -15 1  o 233.5022 9.872524 1316.323       109.9630 1316.323       109.9630 0.000000       0.000000 233.5022 9.872524 ?        ?        0.000000       9.872524 
1 1 1 2   -15 2  o 45.84493 18.93177 17.16222       67.35257 17.16222       67.35257 0.000000       0.000000 45.84493 18.93177 ?        ?        0.000000       18.93177 
1 1 1 2   -15 3  f 251.3113 8.198706 1519.961       98.37482 1525.657       114.9107 1504.332       190.3487 251.4753 9.575268 247.6300 16.16662 3.845337       18.78950 
1 1 1 2   -15 4  f 56.21029 15.61542 79.42043       43.46169 60.96314       78.59111 87.55177       52.16397 56.65182 21.33034 59.17943 17.33053 -2.527607      27.48328 
1 1 1 2   -15 5  o 382.3963 10.04049 3528.612       183.4007 3556.621       211.1781 3442.654       369.9452 383.3373 11.53596 371.9547 20.88754 11.38257       23.86143 
1 1 1 2   -15 6  o 128.4293 11.52537 401.9812       70.01475 502.0543       122.1867 353.0594       85.43121 141.7237 18.47239 119.3881 15.32008 22.33564       23.99863 
1 1 1 2   -15 7  o 144.4101 10.53613 506.0461       72.24181 506.0976       110.1799 506.0072       95.67868 142.9228 16.42281 143.5624 14.12274 -0.6396027     21.66011 
1 1 1 2   -15 8  o 135.3054 10.99435 445.2076       70.50790 382.8144       108.6751 490.5625       92.65611 123.2503 19.05733 141.3874 13.88634 -18.13713      23.57992 
1 1 1 2   -15 9  o 193.9405 10.47118 910.5568       96.72947 947.2186       166.3691 891.8347       118.8896 195.4725 18.00456 191.2585 13.08090 4.214020       22.25475 
1 1 1 2   -15 10 o 277.8236 11.89316 1871.991       157.6045 1736.460       211.7303 2040.396       236.0150 265.6783 16.75467 287.8415 17.22940 -22.16312      24.03271 
1 1 1 2   -15 11 o 191.3820 10.04386 886.1200       91.57722 1095.948       160.9451 785.6631       111.3618 211.0319 16.07314 179.4191 13.07220 31.61275       20.71782 
1 1 1 2   -15 12 o 130.2280 12.88566 415.8009       79.17616 147.3415       154.5751 511.2889       92.18799 81.40508 30.05817 144.3664 13.51379 -62.96128      32.95627 
1 1 1 2   -15 13 o 135.9919 11.85051 451.9322       76.27872 305.5274       119.7228 551.9718       98.96582 107.9453 23.83655 149.7938 13.98067 -41.84856      27.63404 
1 1 1 2   -15 14 f 127.9868 14.07511 404.8941       84.70435 652.3329       176.0385 330.3465       96.62524 158.6501 23.95473 114.1172 18.33111 44.53291       30.16386 
1 1 1 2   -15 15 o 34.28300 15.87839 -48.66547      61.71984 32.05231       103.0114 -93.87000      77.08885 56.49672 23.37954 35.07016 16.70094 21.42656       28.73194 
1 1 1 2   -15 16 o 195.0365 11.44076 927.3916       106.2106 1046.129       211.3351 887.2666       122.8526 201.9668 22.25537 189.9862 13.61580 11.98061       26.09006 
1 1 1 2   -15 17 o 155.4330 13.19231 594.7663       97.10779 748.1705       236.3386 563.6072       106.5143 164.7909 31.13882 150.6457 14.98775 14.14522       34.55804 
1 1 1 2   -15 18 o 224.1605 11.16193 1225.996       119.2445 1248.890       228.3158 1217.409       139.8312 220.0160 22.00042 222.4763 13.20597 -2.460358      25.65962 
1 1 1 2   -15 19 o 293.5266 10.54113 2100.860       147.6853 2166.993       298.5072 2079.427       169.9413 289.0910 21.75758 291.0301 12.24119 -1.939026      24.96476 
1 1 1 2   -15 20 o 136.4393 18.05222 479.0033       114.8682 597.4034       282.3182 455.5139       125.7474 134.9690 40.51976 131.6071 20.66549 3.361893       45.48531 
1 1 1 2   -15 21 o 80.25374 20.99232 173.7903       81.44970 192.5349       318.4325 172.4781       84.25243 93.12989 39.94334 79.80675 21.57152 13.32314       45.39605 
1 1 1 2   -15 22 o 83.21885 19.96097 186.9139       78.39422 272.9707       202.2354 171.6960       85.04366 94.95026 34.48996 79.17076 21.78575 15.77950       40.79432 
1 1 1 2   -15 23 o 54.80907 23.35196 29.07309       107.5389 -257.1726      207.7624 133.8282       125.6855 52.76949 25.68874 71.93424 26.99792 -19.16476      37.26660 
1 1 1 2   -14 0  o 358.8692 8.789902 3095.597       150.8095 3095.597       150.8095 0.000000       0.000000 358.8692 8.789902 ?        ?        0.000000       8.789902 
1 1 1 2   -14 1  o 368.7506 8.365324 3266.716       147.4768 3266.716       147.4768 0.000000       0.000000 368.7506 8.365324 ?        ?        0.000000       8.365324 
1 1 1 2   -14 2  f 158.3143 11.38058 607.7174       85.56293 607.7174       85.56293 0.000000       0.000000 158.3143 11.38058 ?        ?        0.000000       11.38058 
1 1 1 2   -14 3  o 47.29906 15.25318 52.98839       39.23632 69.31483       45.79345 7.908486       76.09379 53.29163 16.38555 46.92711 19.80291 6.364517       25.70294 
1 1 1 2   -14 4  f 104.0815 10.09975 263.2777       49.62552 252.9488       61.83848 281.9633       83.17374 101.4358 13.05372 106.2669 16.93941 -4.831146      21.38558 
1 1 1 2   -14 5  o 108.2499 11.12539 285.5642       56.75862 386.5872       82.36841 194.2230       78.32200 125.5299 13.96066 87.32388 19.27694 38.20604       23.80127 
1 1 1 2   -14 6  o 97.56414 12.76650 234.0712       58.12126 272.0549       81.27874 194.3234       83.14476 104.3376 16.86939 87.15440 20.32890 17.18317       26.41667 
1 1 1 2   -14 7  o 411.5030 15.71490 4129.252       308.5987 4020.315       438.5517 4236.102       434.3279 401.5946 22.93688 412.8752 22.08378 -11.28061      31.84013 
1 1 1 2   -14 8  o 77.08677 14.05517 148.5494       49.89138 95.93523       81.80270 179.7126       62.95609 64.44071 22.06140 84.50388 16.17198 -20.06316      27.35394 
1 1 1 2   -14 9  o 123.7803 11.90205 373.7321       69.56672 351.9639       114.3425 386.5252       87.65684 117.6359 21.10653 125.1987 14.93901 -7.562782      25.85846 
1 1 1 2   -14 10 o 200.3629 11.08203 972.3686       105.7426 1231.271       179.6117 835.0313       130.8161 223.6987 16.91979 184.6139 14.94915 39.08481       22.57778 
1 1 1 2   -14 11 o 149.8368 11.18343 545.3389       79.53494 598.6679       132.1342 515.0391       99.59890 155.1125 18.16152 144.7792 14.58801 10.33333       23.29486 
1 1 1 2   -14 12 o 104.1786 11.72196 265.7360       57.37107 377.8170       99.05133 209.1527       70.37828 123.0089 17.32194 91.07942 16.78068 31.92944       24.11723 
1 1 1 2   -14 13 o 182.5660 10.84034 807.7148       94.19147 768.2789       167.9893 825.7979       113.7551 175.0285 20.46103 184.0611 13.01094 -9.032608      24.24744 
1 1 1 2   -14 14 o 250.9481 9.889355 1520.884       118.4156 1758.309       214.1399 1416.301       142.1227 267.3407 16.83978 241.4592 12.35256 25.88158       20.88454 
1 1 1 2   -14 15 o 40.66056 16.33048 20.10579       48.47333 246.2697       172.3095 0.6693780      50.51329 97.49075 32.00251 37.45374 15.98248 60.03702       35.77150 
1 1 1 2   -14 16 o 53.30681 17.23300 68.42673       50.06327 121.3359       110.3942 54.72835       56.17143 72.33045 25.57507 50.67880 18.20798 21.65165       31.39450 
1 1 1 2   -14 17 o 74.03423 17.12834 140.4971       59.42096 128.1890       148.0809 142.8593       64.87301 77.45270 29.25355 74.47214 18.34306 2.980560       34.52880 
1 1 1 2   -14 18 o 254.3730 13.93411 1587.361       168.8094 1508.281       291.1020 1627.428       207.2072 240.7530 25.68728 255.9758 17.02840 -15.22278      30.81887 
1 1 1 2   -14 19 o 150.9340 13.87600 562.2481       99.00925 407.0533       188.3941 621.4688       116.3765 120.5792 32.11003 158.1105 15.59855 -37.53130      35.69830 
1 1 1 2   -14 20 o 269.8730 11.32640 1774.620       145.8120 1792.428       260.1247 1766.461       176.0752 265.4953 20.65593 268.0346 13.78672 -2.539307      24.83427 
1 1 1 2   -14 21 o 53.88487 22.28153 32.05549       93.46428 -42.23797      146.5729 82.96491       121.3326 56.76091 25.58378 66.28912 26.09037 -9.528214      36.54090 
1 1 1 2   -14 22 o 68.86638 21.22957 124.3003       76.81033 -179.4490      232.2793 161.5932       81.38906 61.98838 29.36629 77.70589 21.28462 -15.71751      36.26863 
1 1 1 2   -14 23 o 238.2829 15.78416 1430.374       178.8001 1359.887       356.2265 1454.113       206.7271 210.8221 36.67392 238.2020 18.29279 -27.37987      40.98296 
1 1 1 2   -14 24 o 86.53182 32.38295 208.9032       180.5518 -0.9800474E-03 339.0392 291.6011       213.3161 81.54922 37.57223 97.51295 35.42202 -15.96372      51.63712 
1 1 1 2   -14 25 o 156.4588 20.62266 657.2653       150.5074 425.1044       363.2179 705.3918       165.3732 105.9639 43.88040 160.9165 22.07731 -54.95261      49.12125 
1 1 1 2   -13 0  o 260.1051 9.657082 1628.867       119.8805 1628.867       119.8805 0.000000       0.000000 260.1051 9.657082 ?        ?        0.000000       9.657082 
1 1 1 2   -13 1  o 127.5782 12.01371 395.9606       72.41343 395.9606       72.41343 0.000000       0.000000 127.5782 12.01371 ?        ?        0.000000       12.01371 
1 1 1 2   -13 2  o 251.9123 7.388950 1523.494       88.89369 1521.998       116.4192 1525.586       137.6638 251.3991 9.704404 251.3259 11.48746 0.7321167E-01  15.03786 
1 1 1 2   -13 3  o 178.8542 8.122636 769.4481       69.27390 793.8846       89.47881 732.8886       109.4462 181.3292 10.36470 173.6344 13.28518 7.694855       16.85001 
1 1 1 2   -13 4  o 342.0916 13.50484 2834.553       220.4377 2891.433       313.2290 2778.737       310.2838 343.2575 19.16289 336.3849 19.37562 6.872559       27.25126 
1 1 1 2   -13 5  o 52.06362 14.22492 67.74986       36.40543 59.69682       62.29219 71.92728       44.86500 53.40916 19.17615 54.05701 16.13527 -0.6478500     25.06136 
1 1 1 2   -13 6  o 102.9727 11.28886 258.5646       54.66520 244.6869       83.25066 269.0836       72.48012 98.60421 18.33438 104.3240 14.95952 -5.719810      23.66298 
1 1 1 2   -13 7  o 90.17738 12.17371 199.7390       51.14496 323.7253       81.99681 120.7833       65.43378 114.5059 15.36572 69.18094 19.13807 45.32497       24.54325 
1 1 1 2   -13 8  o 257.1894 11.88567 1599.550       145.7502 1522.745       211.3094 1669.249       201.2987 249.1287 17.85984 261.4820 16.18169 -12.35329      24.10023 
1 1 1 2   -13 9  o 177.0115 10.25072 756.9240       86.37789 709.4100       143.0589 784.1841       108.3596 169.5128 17.92354 179.6871 12.69542 -10.17430      21.96422 
1 1 1 2   -13 10 o 329.8582 9.662601 2620.514       152.2164 2879.092       308.2265 2537.111       175.0520 342.2166 18.91267 324.1126 11.31434 18.10391       22.03868 
1 1 1 2   -13 11 o 47.44811 16.66828 48.75721       46.83438 -33.02817      148.6202 57.77443       49.34874 59.79215 26.43009 50.42509 17.13785 9.367058       31.50009 
1 1 1 2   -13 12 o 167.6965 10.60938 680.6844       84.62334 696.8546       132.9983 669.6849       109.6920 168.1557 16.76669 165.5754 13.98777 2.580276       21.83529 
1 1 1 2   -13 13 f 373.8148 14.80821 3404.080       264.1236 3319.057       378.0547 3485.149       369.1586 365.1857 21.75229 374.9502 20.67355 -9.764557      30.00929 
1 1 1 2   -13 14 o 213.7297 11.81618 1107.924       120.2699 1141.752       191.5793 1085.920       154.5111 214.6335 18.86156 210.5161 15.45987 4.117477       24.38782 
1 1 1 2   -13 15 o 148.8330 11.05689 537.9335       78.11370 802.2693       132.4491 396.9574       96.72615 180.7228 15.47839 126.4332 16.38713 54.28966       22.54149 
1 1 1 2   -13 16 o 107.3364 20.81223 294.5000       102.9451 145.0674       209.4541 342.0949       118.2078 87.59253 34.33834 115.4394 22.22463 -27.84689      40.90300 
1 1 1 2   -13 17 o 171.4269 13.48839 718.1132       109.6572 712.1968       181.3334 721.5241       137.6855 167.2187 23.31528 170.7260 17.09849 -3.507370      28.91299 
1 1 1 2   -13 18 o 224.2621 13.31483 1226.875       142.1152 1234.866       221.4570 1221.280       185.3035 221.6726 21.15245 222.1027 17.59469 -0.4301147     27.51362 
1 1 1 2   -13 19 o 139.9227 15.30178 485.1953       100.6949 354.7917       260.9671 508.0062       109.1473 113.7221 39.38524 142.8894 16.26663 -29.16727      42.61221 
1 1 1 2   -13 20 o 259.9481 13.49404 1653.913       167.1274 1692.719       273.6094 1630.817       211.0818 257.8124 22.42101 256.1937 17.33561 1.618713       28.34122 
1 1 1 2   -13 21 o 51.86549 21.96552 13.56266       94.17513 -12.34155      145.8172 32.09974       123.3515 60.05950 26.37778 60.52818 25.35748 -0.4686813     36.58946 
1 1 1 2   -13 22 o 131.3042 18.02320 436.9822       110.1584 304.5685       171.6822 529.6484       143.6216 104.6255 31.63969 143.0931 21.67155 -38.46755      38.35004 
1 1 1 2   -13 23 o 186.2347 13.70577 857.8059       121.1768 845.2846       215.5128 863.5945       146.5342 177.4119 26.19560 185.3792 16.71297 -7.967377      31.07302 
1 1 1 2   -13 24 o 85.15663 29.69663 196.0156       148.4919 198.2911       201.7011 193.3230       219.4139 88.11109 33.93070 88.62641 35.02223 -0.5153198     48.76319 
1 1 1 2   -13 25 o 70.18552 25.83747 119.7564       114.0671 77.29249       205.4230 138.6863       137.1553 75.11317 32.14609 75.15622 28.20381 -0.4305267E-01 42.76477 
1 1 1 2   -13 26 o 78.52998 29.56038 161.4150       150.9167 286.6049       219.8543 49.86184       207.5350 96.54387 35.81116 71.93454 31.53469 24.60933       47.71662 
1 1 1 2   -13 27 o 63.66341 23.95081 97.88671       99.04296 24.60238       236.9763 113.3972       109.0214 71.66483 32.39457 67.22161 25.16208 4.443214       41.01876 
1 1 1 2   -12 0  o 316.2818 10.94986 2407.882       165.3238 2407.882       165.3238 0.000000       0.000000 316.2818 10.94986 ?        ?        0.000000       10.94986 
1 1 1 2   -12 1  o 170.9906 11.36660 706.3284       92.39291 706.3284       92.39291 0.000000       0.000000 170.9906 11.36660 ?        ?        0.000000       11.36660 
1 1 1 2   -12 2  o 210.5785 7.489401 1064.256       75.27960 1077.579       97.58586 1044.676       118.3033 211.6134 9.671302 207.9864 11.94771 3.626999       15.37146 
1 1 1 2   -12 3  o 72.54951 11.72825 129.8472       39.29226 21.09701       59.06091 216.2003       52.62890 44.40676 17.95833 94.02225 11.97976 -49.61549      21.58741 
1 1 1 2   -12 4  o 205.5436 8.457158 1015.341       82.92931 1162.637       124.9144 899.2572       110.8931 219.4118 11.95329 192.8599 12.08770 26.55185       16.99981 
1 1 1 2   -12 5  o 359.8933 13.87925 3132.464       238.3600 3322.868       338.5671 2945.343       335.6360 368.7289 19.27256 346.6579 20.34097 22.07098       28.02118 
1 1 1 2   -12 6  o 282.4839 12.10129 1926.384       163.0520 1973.265       232.9099 1881.325       228.3389 284.4987 17.20417 277.7440 17.28160 6.754700       24.38518 
1 1 1 2   -12 7  o 420.7429 10.46942 4258.348       210.5949 4244.199       238.9736 4307.532       445.5566 419.4871 11.92791 417.9736 22.37854 1.513458       25.35891 
1 1 1 2   -12 8  o 415.7966 10.58844 4163.083       210.3137 4148.142       239.8932 4212.709       437.2042 414.5828 12.11614 413.2075 22.21299 1.375275       25.30253 
1 1 1 2   -12 9  o 284.0546 11.09656 1946.347       150.4050 1944.667       198.0667 1948.634       231.1562 282.9750 14.69077 282.4475 17.19979 0.5274963      22.61971 
1 1 1 2   -12 10 o 180.2237 11.00169 785.2144       94.34216 822.7360       174.5149 769.7211       112.1409 182.0948 20.39598 177.9762 13.27497 4.118698       24.33559 
1 1 1 2   -12 11 f 323.7747 9.814725 2523.812       151.7496 2882.982       299.7310 2400.015       175.9690 343.1050 18.33905 315.2550 11.69552 27.85004       21.75100 
1 1 1 2   -12 12 o 331.4083 13.56337 2661.876       214.4474 2643.161       307.7255 2679.547       299.0110 327.7568 19.72963 330.3459 19.01290 -2.589172      27.39979 
1 1 1 2   -12 13 o 70.31338 17.42461 125.3503       58.27493 -178.9384      149.0758 180.2353       63.31274 48.82309 23.24306 84.70856 16.22402 -35.88548      28.34534 
1 1 1 2   -12 14 o 234.3634 10.85748 1326.873       121.3237 1272.826       195.4525 1360.751       154.7451 227.4103 18.12716 236.6055 13.73903 -9.195160      22.74543 
1 1 1 2   -12 15 o 95.29455 22.06515 233.5685       98.54388 191.0995       173.4723 253.8029       119.7400 90.28759 32.04667 98.82038 25.25341 -8.532791      40.80103 
1 1 1 2   -12 16 o 416.7009 23.80870 4351.894       472.3427 4351.894       472.3427 0.000000       0.000000 416.7009 23.80870 ?        ?        0.000000       23.80870 
1 1 1 2   -12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -12 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -12 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -12 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -12 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -12 23 f 158.1602 18.29451 630.3051       135.7857 826.0930       200.6571 464.9076       184.4277 178.1896 24.17706 129.9513 30.25296 48.23830       38.72689 
1 1 1 2   -12 24 o 67.52244 23.62083 108.7161       93.98895 343.7563       182.8302 24.28837       109.5770 110.4119 32.47553 56.56924 23.81173 53.84265       40.26982 
1 1 1 2   -12 25 o 232.1811 14.99836 1340.948       165.5958 1179.878       270.2864 1437.739       209.5246 208.2176 27.84951 238.0293 18.55837 -29.81168      33.46653 
1 1 1 2   -12 26 o 46.88305 20.92874 -23.07240      95.52414 167.4573       223.1749 -65.80753      105.6955 85.84389 34.83868 45.16928 20.87058 40.67461       40.61176 
1 1 1 2   -12 27 o 101.7236 23.23343 284.0738       110.5052 413.0107       244.0099 250.8070       123.9437 112.8773 38.11048 94.06078 26.45808 18.81652       46.39439 
1 1 1 2   -12 28 o 108.6357 29.74775 356.4153       159.0075 85.21905       254.3029 530.5039       203.7486 78.44601 34.62885 130.4902 32.72246 -52.04417      47.64364 
1 1 1 2   -12 29 o 78.61476 26.44945 178.9951       117.5327 99.57545       265.8832 198.2831       131.0298 78.38725 34.95950 81.88593 27.92398 -3.498672      44.74277 
1 1 1 2   -11 0  o 160.9162 9.217653 622.9039       70.61678 622.9039       70.61678 0.000000       0.000000 160.9162 9.217653 ?        ?        0.000000       9.217653 
1 1 1 2   -11 1  o 110.0855 8.625701 292.2485       45.03534 267.9087       58.60057 327.3630       70.38602 104.9341 11.89023 115.9680 12.91404 -11.03397      17.55420 
1 1 1 2   -11 2  o 224.3261 8.326585 1207.681       89.14579 1242.319       108.1273 1134.169       157.5204 227.3324 9.972953 216.3473 15.32845 10.98506       18.28719 
1 1 1 2   -11 3  o 279.2035 9.075820 1871.284       120.9867 2005.013       228.0076 1818.874       142.7393 287.6266 16.65225 275.0094 10.87790 12.61713       19.89035 
1 1 1 2   -11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -11 6  o 334.0795 10.21354 2682.272       162.9387 2755.407       197.9073 2528.394       287.0688 338.2122 12.25979 322.3125 18.70990 15.89978       22.36880 
1 1 1 2   -11 7  o 164.8855 10.51414 655.7066       82.45103 917.2253       153.6187 549.8857       97.71891 193.9860 16.72723 150.4279 13.73908 43.55812       21.64631 
1 1 1 2   -11 8  o 103.5783 13.07126 262.5071       63.28972 237.5621       99.14449 279.6635       82.22228 96.74992 21.94110 106.2290 16.74345 -9.479095      27.59991 
1 1 1 2   -11 9  o 277.3722 9.766484 1850.125       129.3097 2064.851       237.6331 1759.796       154.1267 291.2893 17.13947 270.1014 11.96525 21.18787       20.90284 
1 1 1 2   -11 10 o 403.9759 15.36585 3955.668       296.2292 4006.063       422.7085 3907.035       415.2535 403.6551 21.98695 398.6798 21.86993 4.975311       31.01161 
1 1 1 2   -11 11 o 122.8417 11.58094 366.6064       67.21134 349.4833       100.0726 380.6776       90.71696 118.5033 18.24824 124.4098 15.59356 -5.906563      24.00328 
1 1 1 2   -11 12 o 272.2714 9.462712 1783.693       122.9888 1696.150       185.4417 1852.437       164.3303 264.2672 14.73598 276.8228 12.44859 -12.55554      19.29032 
1 1 1 2   -11 13 o 399.1652 10.88608 3839.627       207.5520 3882.012       242.6110 3723.936       400.8232 400.7919 12.67739 388.5116 21.66527 12.28030       25.10180 
1 1 1 2   -11 14 o 254.2597 12.13547 1563.419       147.0914 1477.051       213.0754 1642.048       203.3056 245.3160 18.29950 259.3449 16.48224 -14.02887      24.62795 
1 1 1 2   -11 15 o 397.7799 8.962267 3802.635       170.4390 3245.196       256.2229 4245.066       228.2666 365.5482 14.69097 419.4455 11.39360 -53.89734      18.59136 
1 1 1 2   -11 16 o 57.04346 21.19192 63.45521       77.04597 10.40850       101.7711 134.6768       117.9236 54.01568 22.85322 76.32702 26.47314 -22.31134      34.97281 
1 1 1 2   -11 17 o 123.0853 19.13625 379.8962       108.9514 207.4836       190.0484 464.2993       132.9716 94.04445 33.52590 135.6936 21.18932 -41.64919      39.66073 
1 1 1 2   -11 18 o 315.8968 10.86032 2410.336       163.7758 2338.369       294.9580 2442.414       196.9211 307.2758 20.19000 317.2849 13.00938 -10.00906      24.01832 
1 1 1 2   -11 19 o 159.6690 12.88689 621.6829       97.53815 670.0535       155.3581 590.2118       125.3136 163.5199 20.30894 154.3359 17.27962 9.183975       26.66531 
1 1 1 2   -11 20 o 284.2553 12.95295 1963.344       175.5670 2022.621       256.4954 1911.090       240.8234 285.9580 18.86698 278.2539 18.20288 7.704071       26.21656 
1 1 1 2   -11 21 o 378.2179 10.33633 3454.194       186.7280 3852.263       308.5971 3224.266       234.5359 396.5025 16.31421 364.1129 13.49637 32.38959       21.17323 
1 1 1 2   -11 22 o 328.5733 14.27935 2635.609       223.7747 2887.545       331.5614 2424.847       303.2593 340.2704 20.47601 311.7354 20.46102 28.53510       28.94686 
1 1 1 2   -11 23 o 413.7736 16.67728 4224.170       329.2348 4173.864       477.4721 4269.770       454.5870 403.7339 24.85737 410.0204 23.28585 -6.286560      34.06054 
1 1 1 2   -11 24 o 185.0231 16.57572 851.2779       145.0727 793.9377       218.6595 896.3646       193.8935 173.1263 27.32301 187.1870 22.09108 -14.06067      35.13634 
1 1 1 2   -11 25 o 201.6962 13.72110 1000.336       131.5229 1087.401       213.3062 946.9305       167.0593 205.9952 21.99910 194.1759 18.20804 11.81932       28.55684 
1 1 1 2   -11 26 o 184.4014 15.05234 844.6210       131.5482 1104.922       246.7803 741.2963       155.4799 204.1405 25.86533 170.5684 19.41130 33.57213       32.33905 
1 1 1 2   -11 27 o 97.59541 28.86412 269.0294       144.0986 479.4038       240.8280 151.7084       179.8451 124.3874 37.44236 81.37402 31.84292 43.01340       49.15182 
1 1 1 2   -11 28 o 102.6392 25.79038 295.3386       126.3827 0.000000       0.000000 295.3386       126.3827 ?        ?        102.6392 25.79038 0.000000       25.79038 
1 1 1 2   -11 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -11 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -10 0  o 460.4163 7.528452 5075.289       165.7161 5075.289       165.7161 0.000000       0.000000 460.4163 7.528452 ?        ?        0.000000       7.528452 
1 1 1 2   -10 1  o 372.2973 5.982469 3316.574       106.4826 3253.471       132.0300 3433.995       180.1035 368.6346 7.491490 378.3672 9.965026 -9.732605      12.46692 
1 1 1 2   -10 2  o 211.5646 7.264393 1072.790       73.36785 1066.140       106.3824 1078.821       101.3184 210.5922 10.60029 211.9062 10.02929 -1.313980      14.59291 
1 1 1 2   -10 3  o 326.6601 7.222095 2554.556       112.7892 2594.273       162.8834 2517.969       156.3343 328.7682 10.37582 323.9260 10.10722 4.842194       14.48495 
1 1 1 2   -10 4  o 412.6635 9.171652 4080.700       180.9472 4184.087       202.9204 3679.378       399.7975 417.7421 10.16036 389.1209 21.57499 28.62122       23.84771 
1 1 1 2   -10 5  f 488.7238 17.32599 5768.544       404.1868 6025.302       572.7605 5513.845       570.4595 497.1161 24.17189 475.0919 25.20552 22.02420       34.92275 
1 1 1 2   -10 6  o 846.8762 11.22913 17213.14       454.6470 15038.52       1553.296 17416.90       475.4703 770.5029 42.32951 851.7354 11.67644 -81.23248      43.91043 
1 1 1 2   -10 7  o 283.8398 10.95352 1936.545       148.3609 0.000000       0.000000 1936.545       148.3609 ?        ?        283.8398 10.95352 0.000000       10.95352 
1 1 1 2   -10 8  o 166.1492 19.90997 678.5079       155.0072 678.5079       155.0072 0.000000       0.000000 166.1492 19.90997 ?        ?        0.000000       19.90997 
1 1 1 2   -10 9  o 432.6893 16.29110 4527.734       336.4021 4369.586       478.4475 4682.357       473.0866 422.2975 23.79401 437.6730 22.68649 -15.37543      32.87601 
1 1 1 2   -10 10 o 588.5901 20.89365 8442.229       587.0109 8198.402       831.2520 8684.776       829.0698 573.9568 30.40164 591.5222 29.40869 -17.56543      42.29811 
1 1 1 2   -10 11 o 258.4139 10.19072 1606.167       125.6542 1643.977       210.9942 1585.389       156.4166 260.0165 17.06746 256.2775 12.80685 3.738983       21.33808 
1 1 1 2   -10 12 o 113.1081 13.88011 313.1696       73.48602 326.4283       138.6820 307.9933       86.65118 112.8355 26.21027 111.5641 16.76370 1.271423       31.11270 
1 1 1 2   -10 13 o 550.2095 8.395416 7263.557       220.8405 6987.360       321.7660 7509.531       303.6518 538.4328 12.49972 558.5839 11.37049 -20.15112      16.89766 
1 1 1 2   -10 14 o 213.2678 11.65248 1098.860       118.3584 926.8432       172.0885 1253.273       163.0454 194.1147 18.77740 227.0157 15.10855 -32.90103      24.10102 
1 1 1 2   -10 15 o 119.9138 14.71389 353.2333       82.58793 346.9838       163.2675 355.3823       95.74028 115.3161 29.49865 119.7019 17.22487 -4.385727      34.15943 
1 1 1 2   -10 16 o 250.4446 12.36510 1517.388       147.5954 1395.791       215.1636 1625.458       202.8436 238.2194 19.05088 258.0470 16.52889 -19.82756      25.22182 
1 1 1 2   -10 17 o 162.5844 13.47462 643.6186       103.7980 735.0735       193.5427 606.6935       122.9800 170.5332 24.43628 157.0640 16.62988 13.46922       29.55816 
1 1 1 2   -10 18 o 82.40130 18.23827 172.2961       69.94839 222.2020       118.3107 145.4771       86.73018 92.82624 25.75507 75.96912 22.37354 16.85712       34.11596 
1 1 1 2   -10 19 o 124.0571 14.13185 377.8556       82.32367 462.0151       134.6878 327.6635       104.0147 135.2433 21.55354 113.9460 19.81248 21.29736       29.27609 
1 1 1 2   -10 20 o 89.85770 26.02157 208.3923       118.1899 231.9233       213.3469 197.9732       141.9648 98.69043 35.48177 88.91705 29.04001 9.773376       45.85061 
1 1 1 2   -10 21 o 280.8813 13.75800 1920.295       184.1888 1717.017       272.1223 2092.165       250.2186 261.9582 21.92925 291.3621 18.05162 -29.40390      28.40340 
1 1 1 2   -10 22 o 181.3980 13.56560 803.3844       116.7947 593.7438       187.2800 936.8113       149.4085 151.0429 26.92216 195.1399 16.15954 -44.09692      31.39958 
1 1 1 2   -10 23 o 233.5517 13.16562 1328.257       146.4100 1338.848       229.1476 1320.950       190.3253 231.2968 20.94921 231.3662 17.33230 -0.6939697E-01 27.18966 
1 1 1 2   -10 24 o 145.4133 14.94820 521.8319       102.4421 512.3534       168.0392 527.4382       129.2345 139.8438 26.09336 144.7919 19.13733 -4.948120      32.35894 
1 1 1 2   -10 25 o 173.6151 14.31489 742.1000       117.7636 686.0170       190.4098 776.8414       149.8638 161.9866 25.42298 176.1898 18.04599 -14.20319      31.17668 
1 1 1 2   -10 26 o 121.7406 22.51735 386.6788       126.2312 407.1005       177.9274 365.9837       179.1143 121.2824 30.67116 114.6423 31.64420 6.640083       44.06898 
1 1 1 2   -10 27 o 65.96693 23.54554 100.7712       93.76746 -259.5723      166.1802 269.0850       113.5745 47.25891 22.99904 100.3876 23.99175 -53.12871      33.23492 
1 1 1 2   -10 28 o 86.26189 23.91590 201.0663       102.0588 78.60004       197.4873 245.6910       119.2116 75.80544 31.94117 94.65675 25.69102 -18.85130      40.99106 
1 1 1 2   -10 29 o 111.4375 29.21425 358.5114       157.5161 510.4398       208.4513 156.2897       240.4911 130.3053 33.33069 85.79150 35.63195 44.51379       48.79109 
1 1 1 2   -10 30 o 201.1339 19.63416 1055.281       186.4005 1047.515       255.8904 1064.062       272.0734 191.7574 28.80133 191.1575 30.81826 0.5999298      42.18154 
1 1 1 2   -10 31 o 61.21069 27.29391 4.120619       161.9872 -396.3932      368.0642 100.3331       180.3975 67.09847 32.98185 72.48513 30.53420 -5.386658      44.94596 
1 1 1 2   -9  0  o 430.4702 9.065518 4438.372       186.5710 4438.372       186.5710 0.000000       0.000000 430.4702 9.065518 ?        ?        0.000000       9.065518 
1 1 1 2   -9  1  o 163.9324 6.227987 643.9283       48.72257 642.6348       63.11309 645.8361       76.65161 163.6339 8.092585 163.8870 9.828070 -0.2530823     12.73110 
1 1 1 2   -9  2  o 170.0029 7.149815 692.9322       57.98143 757.3085       84.43952 635.4979       79.75693 177.4981 9.990800 162.5156 10.31843 14.98256       14.36266 
1 1 1 2   -9  3  o 191.3443 8.367657 878.3580       76.36182 884.9664       96.87449 867.5140       124.0952 191.8566 10.60270 189.5714 13.78645 2.285156       17.39205 
1 1 1 2   -9  4  o 192.5761 8.160958 889.5474       74.96632 980.7599       97.60654 758.3475       117.0627 202.0471 10.13695 177.1508 13.93396 24.89627       17.23117 
1 1 1 2   -9  5  o 644.7442 10.33930 9963.596       318.7037 10032.72       339.2177 9443.406       930.5800 646.8682 10.96868 620.1243 31.49131 26.74390       33.34688 
1 1 1 2   -9  6  f 397.6707 9.379315 3788.845       178.3212 3852.226       201.3734 3558.583       383.8239 400.7297 10.52005 383.1020 21.03679 17.62772       23.52059 
1 1 1 2   -9  7  o 329.7990 8.990802 2607.521       141.6285 2839.978       295.9989 2538.502       161.2897 342.7238 18.12947 325.2444 10.38594 17.47943       20.89367 
1 1 1 2   -9  8  o 469.2863 7.752496 5273.223       173.9353 6109.943       261.2848 4607.358       233.0866 504.7492 10.82755 438.1309 11.13672 66.61838       15.53262 
1 1 1 2   -9  9  o 371.9838 14.31997 3332.470       254.1923 3439.348       362.7048 3229.309       356.3441 376.5342 20.22259 364.7440 20.51764 11.79019       28.80845 
1 1 1 2   -9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -9  11 o 178.9684 11.02923 771.8038       93.91076 868.2135       137.5775 687.6891       128.5059 189.1919 15.34178 168.0833 16.19166 21.10858       22.30561 
1 1 1 2   -9  12 o 118.0773 12.17665 338.6760       67.75427 360.8884       101.7875 321.0039       90.79063 120.8114 18.18637 114.0064 17.19125 6.804947       25.02565 
1 1 1 2   -9  13 o 308.6906 9.284966 2288.178       136.8731 2144.468       204.4778 2404.845       184.2364 297.8773 14.40088 315.9535 12.21978 -18.07620      18.88673 
1 1 1 2   -9  14 o 253.1639 11.33731 1544.219       136.8727 1681.625       192.7145 1404.353       194.4314 263.3625 15.37249 240.1938 17.04221 23.16875       22.95104 
1 1 1 2   -9  15 o 704.4543 24.59981 12243.02       827.2295 12410.28       1172.293 12077.13       1167.480 697.9865 35.24426 688.0947 35.61008 9.891724       50.10226 
1 1 1 2   -9  16 o 117.3634 15.44949 339.1531       84.58405 613.4149       170.5346 249.6679       97.41045 156.1992 23.56913 99.16320 21.19001 57.03600       31.69417 
1 1 1 2   -9  17 o 451.6456 16.49745 4962.498       355.6252 5418.409       507.3679 4522.196       498.6064 468.3498 22.72703 426.6226 24.54955 41.72726       33.45441 
1 1 1 2   -9  18 o 325.5942 13.37021 2566.956       207.6818 2869.814       300.6783 2290.644       287.1981 342.3617 18.43800 305.2059 19.78919 37.15579       27.04758 
1 1 1 2   -9  19 o 439.0402 9.289869 4634.061       194.9944 4853.713       302.1136 4477.218       255.2898 447.4398 14.14076 430.4117 12.41925 17.02811       18.82018 
1 1 1 2   -9  20 f 177.8652 13.87046 770.9484       117.0160 741.5320       172.1338 796.2219       159.5525 172.1904 21.36802 179.3475 18.89143 -7.157104      28.52155 
1 1 1 2   -9  21 f 34.39409 16.16235 -69.73856      67.80049 -158.2495      132.6858 -38.46108      78.87544 46.15963 21.96178 41.48581 18.72695 4.673820       28.86206 
1 1 1 2   -9  22 o 41.41956 19.50092 -102.3373      99.53876 59.83370       137.5537 -280.6104      144.2210 67.61472 27.38375 42.14695 20.70278 25.46777       34.32892 
1 1 1 2   -9  23 o 98.23268 18.92195 245.1461       85.64165 148.1974       144.4580 297.6872       106.3456 80.87797 29.18134 107.7690 21.39530 -26.89101      36.18438 
1 1 1 2   -9  24 o 268.8600 12.69040 1756.168       162.6606 1651.613       256.4105 1826.580       210.4210 257.1309 21.04189 272.8427 16.20425 -15.71179      26.55822 
1 1 1 2   -9  25 o 105.5324 19.71901 284.0385       95.83256 201.6791       161.0863 329.1553       119.2260 90.08725 30.95464 112.7569 22.89922 -22.66964      38.50407 
1 1 1 2   -9  26 o 70.03791 23.43666 119.7978       92.29282 -64.01206      160.3459 210.8639       112.8631 58.67367 26.57234 89.41454 25.28140 -30.74088      36.67749 
1 1 1 2   -9  27 f 53.73886 24.13228 -42.33341      129.0606 -7.569020      181.6622 -77.76166      183.3885 67.05715 29.44681 61.74868 28.14195 5.308468       40.73185 
1 1 1 2   -9  28 o 105.0429 27.50845 300.6576       139.7561 491.8237       197.2023 107.7653       198.0907 132.6416 31.55781 80.10084 32.70470 52.54072       45.44770 
1 1 1 2   -9  29 o 72.08343 27.26910 115.0395       128.7907 -271.2866      200.0388 388.5530       168.3165 52.87908 25.61722 117.4023 29.90827 -64.52320      39.37952 
1 1 1 2   -9  30 o 55.35643 24.54116 -13.70179      129.0546 -24.02940      194.5368 -5.584212      172.4706 65.70562 29.55692 63.80282 28.32345 1.902798       40.93689 
1 1 1 2   -9  31 o 64.50677 27.96255 31.27370       159.3144 122.3446       333.8820 4.426050       181.2826 88.60168 39.36583 65.30946 29.01256 23.29221       48.90191 
1 1 1 2   -9  32 o 85.44036 31.45086 213.6234       169.0097 20.68300       330.8246 281.7634       196.6017 79.98812 36.94629 94.55634 34.05258 -14.56822      50.24546 
1 1 1 2   -9  33 o 79.67065 29.27251 187.2202       146.2973 132.7171       205.7789 242.9228       208.0308 76.16415 32.37143 87.46205 34.24089 -11.29790      47.12056 
1 1 1 2   -8  0  o 110.2738 8.085241 292.6648       42.32962 292.6648       42.32962 0.000000       0.000000 110.2738 8.085241 ?        ?        0.000000       8.085241 
1 1 1 2   -8  1  o 696.2540 7.597415 11602.98       252.8960 11701.61       349.0858 11494.04       366.8748 698.8088 10.44877 692.4787 11.08162 6.330139       15.23086 
1 1 1 2   -8  2  o 286.4787 6.944777 1963.935       95.11719 2024.923       135.6920 1905.015       133.3701 290.5770 9.781469 281.8195 9.914165 8.757416       13.92723 
1 1 1 2   -8  3  o 680.3163 23.20219 11208.24       753.5500 11640.89       1066.001 10776.10       1065.361 689.1301 32.44661 662.3062 33.75703 26.82385       46.82222 
1 1 1 2   -8  4  o 670.5397 7.826523 10762.70       250.9006 10956.41       356.7019 10573.00       352.9815 676.0909 11.03550 664.1426 11.11686 11.94830       15.66419 
1 1 1 2   -8  5  o 425.9280 7.297938 4341.830       148.6089 4376.225       212.7306 4309.046       207.6894 427.3459 10.41219 424.0698 10.24398 3.276123       14.60660 
1 1 1 2   -8  6  o 381.4601 7.273499 3482.596       132.6481 3577.881       192.2107 3395.948       183.2923 386.2580 10.41810 376.3277 10.19695 9.930298       14.57788 
1 1 1 2   -8  7  o 317.3815 7.305725 2410.919       110.8545 2544.511       163.2335 2296.569       151.0215 325.6727 10.49754 309.4113 10.22330 16.26138       14.65312 
1 1 1 2   -8  8  o 599.4126 10.30997 8610.583       295.4553 9138.162       853.6199 8538.777       314.9204 611.3901 29.28887 596.7975 11.03737 14.59259       31.29954 
1 1 1 2   -8  9  o 653.7740 22.70234 10359.72       708.5119 10197.33       1002.863 10521.54       1001.114 643.9027 32.68404 654.4076 32.09621 -10.50488      45.80844 
1 1 1 2   -8  10 o 650.3176 10.99948 10141.19       341.9842 10164.10       365.4685 9979.859       969.6570 650.9095 11.74413 637.0322 31.94008 13.87732       34.03077 
1 1 1 2   -8  11 o 644.1279 8.314164 9936.772       256.0348 9908.133       368.6075 9963.472       355.9024 642.5407 11.99928 644.4255 11.55181 -1.884766      16.65614 
1 1 1 2   -8  12 o 291.9056 9.310302 2044.193       129.7654 2044.999       192.7937 2043.525       175.4604 291.3270 13.88210 291.4212 12.62353 -0.9423828E-01 18.76343 
1 1 1 2   -8  13 o 319.1984 13.34375 2454.215       203.1833 2384.238       290.5799 2521.160       284.2149 313.2550 19.49925 322.4087 18.51664 -9.153656      26.89028 
1 1 1 2   -8  14 o 205.9281 11.61218 1021.984       113.8609 1073.343       168.1458 978.4909       154.7360 210.1306 16.87929 200.6936 16.26615 9.436981       23.44138 
1 1 1 2   -8  15 o 226.3372 11.83328 1235.003       127.6022 1395.176       193.3284 1111.363       169.8553 239.5779 16.98896 213.7460 16.75543 25.83186       23.86147 
1 1 1 2   -8  16 o 351.6496 14.15697 2987.934       237.5199 3057.813       340.5526 2921.743       331.4404 353.7964 20.21782 345.8418 20.13268 7.954681       28.53217 
1 1 1 2   -8  17 o 333.3242 11.46258 2676.976       182.3941 2926.338       237.0359 2315.010       285.5833 347.7746 14.28676 307.6106 19.51951 40.16397       24.18931 
1 1 1 2   -8  18 o 254.9415 12.70322 1571.749       154.3450 1488.293       228.1102 1642.220       209.6144 246.1277 19.54585 259.4486 16.99254 -13.32083      25.89955 
1 1 1 2   -8  19 o 243.6578 11.86775 1434.780       137.8316 1358.961       215.3054 1487.427       179.4132 235.0058 19.33404 247.2338 15.25310 -12.22792      24.62645 
1 1 1 2   -8  20 o 317.0270 13.68928 2435.932       206.9953 2559.883       302.4640 2326.738       283.8892 322.6728 19.70052 307.7074 19.39625 14.96545       27.64643 
1 1 1 2   -8  21 o 162.7288 13.47935 645.0901       103.9278 759.7596       168.0526 574.0755       132.2498 174.6878 20.51252 152.1400 18.56618 22.54776       27.66707 
1 1 1 2   -8  22 o 215.8232 13.89138 1133.546       142.5736 1072.826       240.4882 1166.453       177.0414 205.9539 24.93080 217.9566 17.12763 -12.00276      30.24732 
1 1 1 2   -8  23 o 341.0683 12.93838 2821.585       210.5917 3000.762       284.5977 2604.752       313.0787 349.8941 17.06469 324.2640 20.29691 25.63004       26.51732 
1 1 1 2   -8  24 o 357.7881 13.04386 3108.433       222.7475 3404.227       300.5214 2747.809       331.8247 372.4917 16.91944 332.2589 20.99668 40.23282       26.96531 
1 1 1 2   -8  25 o 157.6091 20.59083 625.1740       151.4476 606.5316       269.0886 633.8170       183.2217 147.4497 37.95003 156.8006 25.30220 -9.350891      45.61147 
1 1 1 2   -8  26 o 209.8704 16.98428 1087.591       168.9597 1441.562       310.4323 938.5955       201.4043 235.7736 28.09182 192.6533 22.27666 43.12025       35.85248 
1 1 1 2   -8  27 o 62.85416 23.31965 81.89155       93.23646 -62.97351      185.0702 131.1646       107.9343 63.55810 28.68853 73.77806 25.33866 -10.21996      38.27636 
1 1 1 2   -8  28 o 302.0955 14.66382 2243.441       211.1546 2335.715       324.2541 2175.500       278.2357 302.6607 22.57145 294.0927 19.90613 8.567993       30.09526 
1 1 1 2   -8  29 o 199.9802 14.58169 987.8123       138.4549 678.5997       237.8913 1146.207       170.2631 155.4378 33.03151 214.4237 16.74146 -58.98587      37.03184 
1 1 1 2   -8  30 o 219.4737 14.81015 1194.950       154.4897 479.0306       245.1113 1666.802       198.9912 125.9799 37.74030 258.4768 16.18412 -132.4969      41.06405 
1 1 1 2   -8  31 o 134.5382 21.46917 478.7957       133.4537 282.3961       202.1567 630.4974       177.6696 98.33507 34.62304 152.1003 25.32280 -53.76523      42.89521 
1 1 1 2   -8  32 o 70.26556 28.63556 94.26084       151.5210 -205.3466      321.9865 179.4795       171.7231 70.99007 33.89684 82.65925 31.43733 -11.66917      46.23096 
1 1 1 2   -8  33 o 78.70261 28.29987 173.1927       135.7260 140.3143       202.5442 199.9892       182.8537 78.51066 32.66177 84.01318 32.31853 -5.502518      45.94865 
1 1 1 2   -8  34 o 66.95029 27.37661 97.90889       139.0618 193.8064       201.0329 9.918587       192.5665 81.78802 33.11168 64.59265 29.19940 17.19537       44.14735 
1 1 1 2   -7  0  o 89.37764 6.331892 192.1122       26.88128 190.1093       34.40396 195.2515       43.07192 88.72499 8.203484 89.67883 10.22874 -0.9538422     13.11199 
1 1 1 2   -7  1  o 324.1760 8.643912 2518.670       133.8480 2574.287       281.2186 2502.380       152.1919 326.3177 18.09669 322.9978 9.867185 3.319855       20.61193 
1 1 1 2   -7  2  o 446.5362 9.371797 4776.686       200.0727 4755.466       218.9931 4883.812       492.0534 445.4456 10.28318 448.5272 23.02347 -3.081512      25.21555 
1 1 1 2   -7  3  o 394.3065 7.126073 3721.063       134.3360 3587.312       191.0609 3851.830       188.9169 386.7616 10.34213 400.9558 9.855212 -14.19424      14.28583 
1 1 1 2   -7  4  o 652.3190 22.64309 10302.38       705.0908 9769.544       997.3374 10834.81       996.9608 630.6246 33.19672 665.1105 31.44178 -34.48590      45.72317 
1 1 1 2   -7  5  o 128.5788 7.757316 397.1563       47.46402 377.4064       72.61514 411.8886       62.71612 124.8419 12.32700 130.7309 10.11301 -5.888969      15.94452 
1 1 1 2   -7  6  o 440.4284 16.11904 4669.142       338.8362 4633.998       479.8416 4704.096       478.5345 437.1976 23.03813 440.5645 22.79686 -3.366943      32.41068 
1 1 1 2   -7  7  o 244.0230 8.353623 1427.258       97.31352 1342.753       179.7548 1462.293       115.7412 235.8132 16.03972 246.8781 9.825738 -11.06493      18.81005 
1 1 1 2   -7  8  o 336.8580 9.592728 2720.192       154.3316 2631.667       176.9207 3001.976       315.6493 331.1568 11.19079 352.5201 18.79687 -21.36334      21.87592 
1 1 1 2   -7  9  o 442.3972 9.409700 4687.788       199.0199 4453.840       475.6323 4737.442       219.1250 428.4237 23.30926 444.6455 10.30789 -16.22180      25.48674 
1 1 1 2   -7  10 o 151.9892 9.245393 555.3354       66.86322 503.7043       104.7249 590.8657       86.87477 143.9497 15.45900 156.5396 11.69257 -12.58994      19.38290 
1 1 1 2   -7  11 o 369.2720 7.762913 3264.367       137.0501 3417.853       201.4124 3132.028       187.0229 377.3976 11.17525 361.3006 10.83950 16.09705       15.56859 
1 1 1 2   -7  12 o 582.8963 11.25206 8147.931       313.5679 8097.625       339.6730 8437.992       815.6293 580.9262 12.23015 587.1876 29.14520 -6.261353      31.60727 
1 1 1 2   -7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -7  14 o 393.2425 10.36592 3710.817       194.7143 3072.783       383.2316 3932.842       226.0685 355.1585 22.68861 404.6335 11.69839 -49.47501      25.52695 
1 1 1 2   -7  15 o 596.7129 8.771357 8533.469       250.2307 7995.001       364.5117 9013.395       344.1266 576.6387 13.22207 612.6388 11.74912 -36.00012      17.68799 
1 1 1 2   -7  16 o 323.1315 10.94389 2510.131       168.8233 2170.614       290.6850 2682.940       207.3837 298.2957 20.50775 333.6951 13.02421 -35.39935      24.29398 
1 1 1 2   -7  17 o 231.0802 12.10271 1287.875       133.2408 1269.337       201.8391 1302.193       177.3827 228.0152 18.67899 231.5762 16.12240 -3.561005      24.67461 
1 1 1 2   -7  18 o 370.4618 12.38695 3308.505       219.0811 3245.042       271.4570 3427.062       371.0255 366.0027 15.54887 374.2117 20.82062 -8.208984      25.98587 
1 1 1 2   -7  19 o 173.0570 12.91323 726.2674       106.0695 613.5438       165.4342 804.9525       138.2178 156.5353 22.77305 181.5547 16.09028 -25.01942      27.88385 
1 1 1 2   -7  20 o 322.4117 13.84468 2517.831       212.9064 2460.588       308.0335 2570.192       294.6056 316.2719 20.48192 323.8508 19.11274 -7.578857      28.01439 
1 1 1 2   -7  21 o 250.6263 12.87044 1521.210       153.6991 1358.942       225.3916 1662.255       210.1361 234.5677 20.29793 260.8075 16.94454 -26.23973      26.44094 
1 1 1 2   -7  22 o 394.5226 15.68072 3787.782       295.1754 3731.959       424.4344 3840.072       410.7824 387.6791 23.00311 393.9578 21.89604 -6.278656      31.75815 
1 1 1 2   -7  23 o 178.1467 14.79554 775.6520       124.8772 739.0369       176.4732 812.3752       176.7333 171.6044 22.01669 180.4485 20.87023 -8.844101      30.33646 
1 1 1 2   -7  24 o 40.80522 18.52762 -43.31570      78.56493 -6.341706      149.8697 -57.32684      92.25764 62.52270 27.11168 43.44296 19.86062 19.07974       33.60785 
1 1 1 2   -7  25 o 61.14574 22.62302 75.68845       87.63922 209.2648       169.7609 27.15286       102.3300 92.23045 31.77387 56.20589 23.28457 36.02457       39.39226 
1 1 1 2   -7  26 o 267.8412 13.80611 1748.479       176.1931 1842.637       270.7263 1679.292       232.0666 271.6125 21.01165 260.3653 18.76920 11.24719       28.17396 
1 1 1 2   -7  27 o 73.59900 27.47990 113.0763       129.8656 114.3574       185.1839 111.8366       182.1687 80.95008 32.11557 80.27403 31.85121 0.6760483      45.23173 
1 1 1 2   -7  28 o 93.86362 31.29438 228.2951       164.5779 130.5796       321.4627 263.0049       191.5911 96.48375 40.70821 100.0616 33.76980 -3.577805      52.89195 
1 1 1 2   -7  29 o 73.15179 29.97887 76.55202       167.2182 -671.2957      328.0926 338.9830       194.3558 59.89962 29.74845 110.2796 33.72841 -50.37994      44.97306 
1 1 1 2   -7  30 o 39.80827 19.36040 -189.5596      117.2313 -630.8892      177.1952 153.9852       156.3371 37.19487 18.89292 81.19850 30.18329 -44.00364      35.60861 
1 1 1 2   -7  31 o 105.7292 20.17715 291.8031       98.27152 336.6751       197.1533 276.9688       113.3575 107.9732 34.12416 101.4943 23.77998 6.478882       41.59261 
1 1 1 2   -7  32 o 95.03004 22.48865 244.9681       100.5708 -581.1797      200.1105 524.1573       116.3296 41.87542 21.13365 143.1315 17.35397 -101.2561      27.34578 
1 1 1 2   -7  33 o 68.92220 28.71876 78.08285       156.9556 -104.9040      337.3063 128.6535       177.3224 76.60439 36.01393 76.74780 31.08813 -0.1434174     47.57600 
1 1 1 2   -7  34 o 69.69631 27.84346 110.1662       140.1406 -153.1765      213.2021 310.5045       185.9572 58.38094 27.79407 98.45323 33.26951 -40.07230      43.35171 
1 1 1 2   -7  35 o 50.89736 23.85877 -82.16270      146.1919 -187.3714      222.0514 -1.670570      194.2246 56.77953 27.37988 63.71137 29.00740 -6.931839      39.88843 
1 1 1 2   -6  0  o 135.9997 5.982353 443.6381       38.80202 445.3855       49.70194 440.9109       62.09189 136.1199 7.668373 135.2102 9.669264 0.9096985      12.34093 
1 1 1 2   -6  1  o 448.6060 9.137863 4826.785       195.9829 4868.507       214.5637 4616.711       481.4603 450.3988 9.964390 434.2003 23.27837 16.19855       25.32136 
1 1 1 2   -6  2  o 139.0941 7.566997 464.8528       50.13049 484.7891       64.85224 435.2554       79.01887 141.8367 9.620683 133.9713 12.48060 7.865372       15.75826 
1 1 1 2   -6  3  o 199.8522 7.975338 958.4368       76.04898 975.0723       93.66831 926.2626       130.2652 201.3919 9.757459 195.6731 14.01766 5.718750       17.07931 
1 1 1 2   -6  4  o 636.1797 7.658484 9693.202       232.9330 10060.90       330.9100 9332.063       327.9439 647.5485 10.68881 623.5840 11.00009 23.96448       15.33794 
1 1 1 2   -6  5  o 113.9412 8.448306 312.6885       45.69389 316.9135       65.34669 308.6461       63.91881 114.2591 12.14859 112.7573 12.04327 1.501801       17.10639 
1 1 1 2   -6  6  o 669.3579 10.50475 10741.29       336.1650 10979.01       1039.108 10713.50       355.2701 667.6618 32.65238 668.3751 11.11809 -0.7132568     34.49333 
1 1 1 2   -6  7  o 412.4729 9.257808 4075.221       182.5627 4212.912       428.2923 4044.649       201.8154 416.9789 21.55732 410.6974 10.28646 6.281586       23.88575 
1 1 1 2   -6  8  o 171.3321 9.683015 705.3957       78.99261 656.9979       113.3063 751.1630       110.1840 164.7683 14.53254 176.4446 13.15646 -11.67630      19.60324 
1 1 1 2   -6  9  o 240.2341 7.610961 1382.685       87.30403 1432.956       128.1004 1339.083       119.3017 244.2736 10.99716 236.1605 10.59346 8.113098       15.26955 
1 1 1 2   -6  10 o 145.8816 9.261450 511.7057       64.25986 532.5170       98.94997 496.5273       84.50445 148.2719 14.12943 143.3479 12.45394 4.923981       18.83459 
1 1 1 2   -6  11 o 139.1060 9.628226 465.7188       63.63741 495.8727       91.39230 437.3386       88.66351 143.1086 13.51801 134.2473 14.02083 8.861313       19.47615 
1 1 1 2   -6  12 o 364.6798 9.735811 3188.263       169.5913 3222.276       195.6736 3085.580       339.9842 366.4535 11.18184 357.0959 19.99417 9.357605       22.90852 
1 1 1 2   -6  13 o 53.77864 19.61969 56.64635       65.54197 81.86395       140.8968 49.68264       74.04053 72.67968 28.25797 54.21568 20.63719 18.46400       34.99152 
1 1 1 2   -6  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -6  15 o 179.2433 13.27551 775.8780       112.9558 859.6235       196.4497 734.5165       138.0602 187.0715 22.41069 173.8260 16.82293 13.24556       28.02231 
1 1 1 2   -6  16 o 517.8743 18.52262 6486.621       457.8624 6762.823       651.1867 6216.562       643.9052 525.8635 25.98191 503.7484 26.83302 22.11511       37.35065 
1 1 1 2   -6  17 o 52.18934 19.92070 45.93390       69.10950 72.44418       115.8903 31.30367       86.09253 66.55833 25.69609 53.69038 21.69299 12.86795       33.62848 
1 1 1 2   -6  18 o 281.9619 11.25445 1913.202       151.4083 2013.032       237.2171 1844.575       196.6817 287.9493 17.31139 276.1438 14.95353 11.80545       22.87558 
1 1 1 2   -6  19 o 626.1570 11.65478 9430.732       348.8958 9684.346       383.2174 8202.106       843.4677 634.1745 12.63945 572.6005 30.92594 61.57397       33.40912 
1 1 1 2   -6  20 o 213.8654 12.42962 1105.813       126.5410 1235.776       189.7636 1001.748       169.8069 224.8439 17.79829 202.3148 17.73494 22.52908       25.12583 
1 1 1 2   -6  21 o 301.4449 13.51714 2199.747       194.3100 2110.731       284.6832 2277.386       265.8720 292.9103 20.45774 305.1520 18.30837 -12.24176      27.45388 
1 1 1 2   -6  22 o 125.0611 14.81974 384.1306       86.88750 542.5209       154.2762 310.5533       105.1494 146.7156 22.72905 110.8495 20.59911 35.86606       30.67463 
1 1 1 2   -6  23 o 100.6441 22.68900 259.7539       106.5547 519.9763       161.4868 59.09354       141.8064 142.8605 24.52689 68.65413 27.80415 74.20642       37.07612 
1 1 1 2   -6  24 o 331.5617 11.50813 2656.175       182.1456 2766.891       336.6058 2610.332       216.5969 334.2319 21.17403 327.9039 13.84765 6.328003       25.30014 
1 1 1 2   -6  25 o 38.14035 17.74114 -67.55943      78.32819 -398.8396      276.8247 -38.72819      81.66553 62.36848 30.19550 42.29337 19.07670 20.07511       35.71679 
1 1 1 2   -6  26 o 205.1384 15.37338 1031.707       149.6767 771.5416       307.0510 1112.797       171.4230 166.1848 39.27287 212.5055 17.01499 -46.32069      42.80032 
1 1 1 2   -6  27 o 286.1965 14.20507 1998.382       193.7567 1889.849       297.3507 2078.470       255.4290 273.9112 22.91637 289.8599 18.52908 -15.94867      29.47010 
1 1 1 2   -6  28 f 117.2524 18.86447 347.2869       102.1620 359.4337       196.3061 342.7751       119.6403 114.9673 33.60631 115.2673 22.51805 -0.2999878     40.45301 
1 1 1 2   -6  29 o 190.3413 14.31189 889.9096       129.2843 1420.732       230.3421 645.7807       156.2098 237.6909 20.46913 159.4269 21.00507 78.26399       29.32914 
1 1 1 2   -6  30 o 82.91027 25.11135 180.2702       108.0855 849.3448       341.6031 105.8351       113.9393 167.5806 42.56289 69.62069 25.78847 97.95995       49.76590 
1 1 1 2   -6  31 o 212.0436 15.38609 1115.045       154.9164 538.5565       233.0178 1571.679       207.3852 136.2595 35.44013 250.7043 17.41063 -114.4447      39.48586 
1 1 1 2   -6  32 o 168.5120 17.88893 720.2441       141.9205 299.4686       228.8755 983.0963       180.8963 102.6089 36.76740 196.0778 19.55774 -93.46898      41.64549 
1 1 1 2   -6  33 o 46.03522 21.46428 -83.27013      115.7337 -78.59962      207.4914 -85.37943      139.4396 63.56469 29.32449 51.12944 23.74484 12.43525       37.73252 
1 1 1 2   -6  34 o 62.18307 26.32956 46.62669       135.2658 161.8380       357.2503 27.34577       146.1467 91.34084 40.64333 61.79179 26.78387 29.54905       48.67500 
1 1 1 2   -6  35 o 110.6390 31.36031 387.8432       173.4451 149.9698       229.2572 706.2324       265.2339 80.20245 34.13092 142.3145 38.19042 -62.11202      51.21941 
1 1 1 2   -5  0  o 275.7381 7.259873 1823.835       95.62163 1860.492       107.5384 1685.393       208.9878 278.3809 8.088661 263.0784 16.70227 15.30243       18.55781 
1 1 1 2   -5  1  f 259.2157 6.764154 1611.167       83.75523 1702.006       118.7773 1521.329       118.1209 266.0593 9.352391 251.4426 9.845095 14.61676       13.57914 
1 1 1 2   -5  2  o 93.16249 7.017023 209.1723       31.02404 226.9134       45.26197 193.4512       42.60748 96.68147 9.933384 89.15078 10.17879 7.530693       14.22251 
1 1 1 2   -5  3  o 133.0110 7.650723 425.5627       48.44647 448.0889       77.75172 411.2667       61.94024 135.8832 12.09464 130.4574 10.00748 5.425842       15.69809 
1 1 1 2   -5  4  o 293.4176 12.10191 2076.312       169.4008 2031.919       239.8972 2120.463       239.2421 288.8890 17.45081 295.2669 17.01997 -6.377899      24.37643 
1 1 1 2   -5  5  f 411.8637 9.094457 4070.117       179.0765 3997.731       421.0353 4086.103       197.8656 404.0446 21.87781 412.5050 10.03304 -8.460388      24.06866 
1 1 1 2   -5  6  f 396.7058 14.86810 3800.996       281.4901 3814.921       398.5247 3787.131       397.6508 395.3651 21.16087 393.9062 21.19351 1.458984       29.94908 
1 1 1 2   -5  7  o 511.4119 9.764991 6272.826       238.7542 6499.955       631.9468 6235.007       257.8661 514.9287 25.75167 509.7205 10.58166 5.208191       27.84098 
1 1 1 2   -5  8  o 139.5813 9.160696 468.8794       60.79348 468.8273       87.33030 468.9283       84.68082 139.0572 13.29780 139.1332 12.87657 -0.7604980E-01 18.51047 
1 1 1 2   -5  9  o 82.97057 10.77559 167.7946       41.73509 147.9374       68.13189 179.7208       52.80105 76.81228 18.72521 85.50914 13.35200 -8.696861      22.99803 
1 1 1 2   -5  10 f 217.8104 8.918797 1138.001       92.67734 1163.554       117.2348 1095.426       151.3282 220.0309 11.18126 213.0115 14.95466 7.019318       18.67250 
1 1 1 2   -5  11 o 433.4144 7.624255 4496.037       157.9826 4507.717       226.6419 4484.999       220.3338 433.5521 10.94304 432.6239 10.65276 0.9281921      15.27191 
1 1 1 2   -5  12 o 223.2347 9.739671 1195.952       103.6974 1109.622       132.2355 1333.828       167.1127 214.6758 12.94431 235.1814 14.93995 -20.50560      19.76758 
1 1 1 2   -5  13 o 417.8139 15.55284 4201.265       310.1290 4248.078       439.6903 4154.919       437.4951 418.7256 22.04150 414.0612 22.18137 4.664398       31.27045 
1 1 1 2   -5  14 o 394.3275 11.32629 3731.167       213.3059 3762.131       253.2163 3655.501       395.8358 395.6616 13.40563 388.4129 21.39906 7.248718       25.25134 
1 1 1 2   -5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -5  16 o 380.2057 14.98262 3481.385       271.8089 3448.135       389.9958 3512.791       379.0302 376.8426 21.73896 380.5892 20.91131 -3.746643      30.16397 
1 1 1 2   -5  17 f 160.2024 15.93009 624.0197       120.3951 546.1523       198.0877 669.6348       151.6120 146.8880 29.23581 165.3341 19.55894 -18.44611      35.17506 
1 1 1 2   -5  18 o 258.9026 12.72350 1614.995       157.0071 1505.915       230.8379 1708.899       214.1798 248.6334 19.57739 265.5492 16.95902 -16.91579      25.90140 
1 1 1 2   -5  19 o 248.7429 11.71154 1490.279       138.8838 1557.155       220.0189 1445.981       179.0684 252.9217 18.31974 244.3338 15.40793 8.587860       23.93777 
1 1 1 2   -5  20 f 190.6820 12.58291 879.0758       114.0683 933.6018       180.0594 842.5237       147.4247 195.0202 19.57650 185.8372 16.77353 9.183014       25.77966 
1 1 1 2   -5  21 o 275.5728 13.35563 1836.276       175.4341 1749.011       263.3565 1905.892       235.2230 266.7569 20.81467 279.5726 17.68925 -12.81567      27.31593 
1 1 1 2   -5  22 o 235.0216 12.63207 1336.458       141.4139 1543.283       219.5635 1189.843       184.8625 250.9635 18.42807 220.4182 17.69100 30.54523       25.54536 
1 1 1 2   -5  23 o 189.3652 15.88143 876.7916       142.4566 993.1741       268.6108 831.2469       168.0345 196.6462 29.47861 183.3164 19.47039 13.32980       35.32824 
1 1 1 2   -5  24 o 174.8875 17.67427 753.6028       145.7518 123.3280       278.7637 990.7257       170.9850 94.47959 38.71190 200.6413 18.01661 -106.1617      42.69906 
1 1 1 2   -5  25 o 364.0859 11.78892 3204.270       204.9337 3603.762       391.0660 3053.030       240.6187 381.2956 21.54020 354.4829 14.22685 26.81268       25.81440 
1 1 1 2   -5  26 o 71.85234 26.40720 108.9549       119.0720 47.58200       173.5553 163.5327       163.6659 72.36192 30.17932 85.31879 31.02200 -12.95687      43.27996 
1 1 1 2   -5  27 o 173.1332 16.90623 740.8129       138.1569 722.9070       208.9264 754.7273       184.1730 166.8963 27.11388 172.4906 22.89837 -5.594376      35.48940 
1 1 1 2   -5  28 o 235.6099 14.32537 1356.760       160.6018 1371.724       254.7733 1346.892       206.8829 232.8681 23.19221 232.9538 18.73358 -0.8569336E-01 29.81318 
1 1 1 2   -5  29 o 66.89703 28.25206 30.67586       155.0748 -0.1401566E-02 329.1116 39.43064       175.8157 89.03200 39.34398 71.32753 30.10051 17.70447       49.53775 
1 1 1 2   -5  30 o 203.3594 16.60253 1025.558       160.0126 1603.602       253.8224 644.3231       206.1325 251.8553 21.27891 155.1301 28.85514 96.72517       35.85263 
1 1 1 2   -5  31 o 56.56056 25.05477 -23.45554      134.2463 90.08723       196.6553 -122.5428      183.7109 78.27637 32.33935 58.54937 27.21258 19.72699       42.26533 
1 1 1 2   -5  32 o 106.3242 27.53686 309.9825       141.0789 359.4722       348.7336 300.2982       154.2659 113.3140 44.34152 104.0207 29.60624 9.293243       53.31697 
1 1 1 2   -5  33 o 120.1496 23.39231 387.0828       129.5355 426.0319       219.6660 366.3181       160.3901 118.7733 35.76103 113.6145 29.32861 5.158752       46.24953 
1 1 1 2   -5  34 o 54.93561 23.90404 7.688304       117.3396 -119.1545      199.1344 75.15527       145.2309 59.44505 27.85926 67.32800 27.80126 -7.882946      39.35796 
1 1 1 2   -5  35 o 102.9720 29.24705 316.8190       150.7013 1340.491       360.2420 99.67186       165.9170 202.5947 38.60173 71.73518 29.67718 130.8595       48.69115 
1 1 1 2   -5  36 o 73.67095 30.25547 130.4616       170.7771 395.9439       220.9898 -263.1364      269.0797 105.8122 36.25958 59.95469 29.19739 45.85753       46.55368 
1 1 1 2   -4  0  o 150.0973 6.346859 540.3998       45.44215 514.0905       62.01033 570.9164       66.78474 146.1413 8.917746 154.0128 9.110806 -7.871460      12.74884 
1 1 1 2   -4  1  o 219.6911 6.713479 1156.970       70.43014 1180.021       99.81850 1134.117       99.38940 221.5693 9.444748 217.1897 9.595465 4.379684       13.46389 
1 1 1 2   -4  2  o 611.3500 9.669686 8970.539       282.6251 9106.527       301.1427 7965.699       818.5978 615.8184 10.22849 565.3076 30.40030 50.51086       32.07491 
1 1 1 2   -4  3  o 226.3994 7.869871 1230.264       85.05312 1048.058       154.5217 1309.462       101.8744 207.6329 15.68221 233.4181 9.146681 -25.78513      18.15471 
1 1 1 2   -4  4  o 193.4601 6.974271 897.9691       64.40023 864.8528       92.39418 929.2603       89.81207 189.4479 10.23914 196.4890 9.589627 -7.041061      14.02857 
1 1 1 2   -4  5  o 549.3775 19.50744 7364.331       511.5518 7361.273       723.6888 7367.385       723.1985 543.5087 27.94458 543.7601 27.91242 -0.2514648     39.49687 
1 1 1 2   -4  6  o 221.3583 7.189551 1175.669       75.98530 1109.114       108.9809 1238.632       106.0000 214.5112 10.65994 226.8599 9.796352 -12.34868      14.47767 
1 1 1 2   -4  7  f 199.5045 9.851363 958.3132       93.67252 1053.350       133.0884 865.0142       131.8659 208.5689 13.41815 188.6588 14.73684 19.91003       19.93041 
1 1 1 2   -4  8  o 491.8224 7.479131 5796.376       175.8603 5694.390       250.2149 5895.937       247.2203 486.8434 10.75017 495.4557 10.43688 -8.612274      14.98315 
1 1 1 2   -4  9  o 495.3069 9.643955 5884.394       228.3694 5632.390       582.1635 5930.226       248.2689 479.1120 25.50748 497.0860 10.44678 -17.97397      27.56387 
1 1 1 2   -4  10 o 547.1577 19.41271 7245.882       507.0120 7101.171       717.6440 7390.093       716.4041 538.0976 27.99209 549.2663 27.36761 -11.16870      39.14771 
1 1 1 2   -4  11 o 90.74282 10.91044 200.2406       46.38452 183.7408       62.63346 220.2809       69.02683 86.07427 15.80252 94.44239 15.84859 -8.368118      22.38074 
1 1 1 2   -4  12 o 732.6792 25.19340 13027.82       881.1757 12761.84       1246.932 13293.15       1245.411 719.3348 36.37603 734.6866 35.56263 -15.35175      50.87157 
1 1 1 2   -4  13 o 615.8617 21.64651 9169.034       636.3612 8367.772       900.5410 9968.197       899.3615 584.2609 32.36597 639.1467 29.51204 -54.88574      43.80087 
1 1 1 2   -4  14 o 252.2968 8.675475 1525.930       104.4881 1504.252       152.3290 1545.193       143.5944 250.0795 12.78319 253.5740 11.87772 -3.494537      17.44965 
1 1 1 2   -4  15 o 199.9728 11.71287 962.2001       111.4903 904.6249       164.0786 1011.585       151.9601 192.9964 17.98976 204.5465 15.65825 -11.55006      23.84979 
1 1 1 2   -4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -4  17 o 402.8307 15.44074 3908.909       296.8207 4034.328       423.9865 3788.361       415.6727 407.7116 21.83117 394.9777 22.10070 12.73386       31.06511 
1 1 1 2   -4  18 o 383.2261 11.10712 3526.133       203.2855 3552.428       398.1185 3516.859       236.4310 382.2582 21.87583 382.4201 12.95038 -0.1618958     25.42172 
1 1 1 2   -4  19 o 238.2160 12.68134 1367.675       143.9052 1478.734       219.7428 1284.280       190.4182 246.5614 18.78287 229.9658 17.44982 16.59564       25.63771 
1 1 1 2   -4  20 o 90.28856 19.35854 205.1030       81.05399 105.0561       143.5662 251.9130       98.20187 75.90125 28.77319 99.94923 21.20835 -24.04798      35.74479 
1 1 1 2   -4  21 f 223.4864 13.11960 1207.310       139.5615 1119.947       217.3023 1268.644       182.0766 213.1769 21.62007 228.3199 16.79782 -15.14299      27.37872 
1 1 1 2   -4  22 o 236.8424 12.67975 1356.007       143.0516 1209.731       222.5089 1459.060       186.7641 221.3916 21.28414 244.9020 16.03944 -23.51047      26.65104 
1 1 1 2   -4  23 o 210.4031 13.73412 1074.549       137.3982 865.0253       207.7781 1237.368       183.1622 185.6999 23.96138 224.9245 17.16258 -39.22467      29.47375 
1 1 1 2   -4  24 o 314.2831 11.90474 2386.225       178.5515 2426.451       305.5725 2365.370       220.0197 313.7314 20.48470 312.0154 14.79161 1.715942       25.26687 
1 1 1 2   -4  25 o 297.8698 12.36879 2146.940       175.7584 1871.201       295.3119 2298.185       218.7122 274.0881 22.74082 307.3618 14.92848 -33.27374      27.20302 
1 1 1 2   -4  26 o 141.0442 19.42758 497.2977       127.5271 744.6493       181.4732 255.9736       179.2485 171.9257 22.62689 100.1907 32.62524 71.73500       39.70368 
1 1 1 2   -4  27 o 292.7500 14.01234 2086.286       195.5479 2387.747       303.5172 1872.351       255.6864 310.0730 20.59105 274.9337 19.58047 35.13931       28.41454 
1 1 1 2   -4  28 o 178.0434 16.94000 783.7162       142.4587 718.5463       333.2267 798.2910       157.5855 157.7670 43.00825 179.0768 18.68077 -21.30980      46.89009 
1 1 1 2   -4  29 o 55.88146 22.72118 36.82042       95.13319 0.2984948E-03  197.1017 48.00323       108.6234 71.20792 30.98279 60.36229 24.37461 10.84564       39.42151 
1 1 1 2   -4  30 o 197.4957 15.09325 958.9711       141.4315 1235.830       248.9038 826.9584       171.8741 219.9553 24.06160 181.3324 20.16634 38.62282       31.39494 
1 1 1 2   -4  31 o 92.68505 25.60009 228.9097       117.1837 -379.3172      361.0078 300.5440       123.8923 73.25453 35.21905 106.3119 24.82750 -33.05733      43.09044 
1 1 1 2   -4  32 o 136.9333 26.45498 503.2068       166.9218 316.7715       215.9859 779.7070       263.0324 106.2437 35.85532 165.7518 34.32335 -59.50806      49.63563 
1 1 1 2   -4  33 o 71.24175 29.36569 74.65980       161.6553 72.49025       206.4053 78.10199       259.9886 76.89609 32.54029 83.47465 35.95098 -6.578560      48.49065 
1 1 1 2   -4  34 o 38.14972 18.75583 -221.9867      119.2098 -472.6950      203.9469 -91.87801      146.9217 45.57346 22.76408 52.36345 24.33691 -6.789997      33.32399 
1 1 1 2   -4  35 o 48.68754 22.55930 -72.08784      124.7781 -94.24615      210.3447 -60.05676      154.9943 62.28399 29.00575 55.63802 25.54992 6.645962       38.65400 
1 1 1 2   -4  36 o 68.68627 28.22145 94.88947       148.6759 322.6214       370.9222 51.29786       162.2827 98.62958 42.71077 65.58819 28.32643 33.04139       51.25033 
1 1 1 2   -4  37 o 99.56028 32.92599 337.9001       182.2765 264.2093       234.6654 449.9883       289.4159 88.51945 35.79694 104.8063 40.56831 -16.28683      54.10369 
1 1 1 2   -3  0  o 287.4474 6.239725 1977.441       85.74960 1965.044       113.4863 1993.937       130.9074 286.2965 8.299995 288.2650 9.511720 -1.968536      12.62390 
1 1 1 2   -3  1  o 285.2823 6.751205 1948.172       92.07985 2008.473       130.3863 1888.178       130.0555 289.3208 9.438990 280.4819 9.713404 8.838898       13.54418 
1 1 1 2   -3  2  o 390.9527 8.894549 3662.646       166.2480 3674.726       384.7453 3659.872       184.3460 388.9457 20.76601 390.5688 9.880448 -1.623077      22.99675 
1 1 1 2   -3  3  o 446.3640 7.117660 4770.629       151.8919 4835.304       215.4312 4706.698       214.1895 449.0127 10.03556 442.9898 10.11337 6.022858       14.24755 
1 1 1 2   -3  4  o 468.9234 9.326514 5272.448       209.0882 5296.455       227.8891 5144.699       525.6957 469.8581 10.14492 458.6684 24.05738 11.18973       26.10894 
1 1 1 2   -3  5  f 138.3977 8.777745 461.0711       57.77990 472.3080       82.07696 450.0313       81.35406 139.6011 12.42748 136.2106 12.63689 3.390488       17.72380 
1 1 1 2   -3  6  o 382.5240 9.015399 3510.549       164.8739 3491.438       371.2868 3515.243       184.0118 378.0605 20.61992 382.4770 10.07187 -4.416443      22.94828 
1 1 1 2   -3  7  o 270.0886 8.614924 1751.988       111.0990 1799.618       211.3421 1733.800       130.6002 272.1085 16.32060 268.4295 10.19519 3.678986       19.24328 
1 1 1 2   -3  8  o 245.5556 8.729807 1448.917       102.3226 1444.012       123.8476 1459.467       181.6223 244.8365 10.60558 245.0672 15.58227 -0.2307434     18.84902 
1 1 1 2   -3  9  o 152.5971 8.341826 560.1984       60.62628 550.6213       87.69982 568.9642       83.90315 150.7225 12.27684 153.3510 11.52855 -2.628433      16.84127 
1 1 1 2   -3  10 o 227.0633 8.686788 1238.175       94.12670 1352.909       119.3762 1049.610       153.0390 237.1116 10.55716 207.9315 15.50643 29.18010       18.75908 
1 1 1 2   -3  11 o 414.1642 15.44571 4138.855       305.3005 4157.013       432.4247 4120.809       431.0984 413.1196 21.97310 411.3012 22.00349 1.818329       31.09616 
1 1 1 2   -3  12 o 320.4563 9.522100 2462.941       145.7230 2475.252       171.3533 2430.773       276.9883 321.0565 11.18062 316.9341 18.35892 4.122498       21.49549 
1 1 1 2   -3  13 o 555.3046 10.41040 7389.626       276.3803 7707.135       741.6572 7338.423       297.8329 562.2380 27.67652 553.2605 11.25990 8.977539       29.87934 
1 1 1 2   -3  14 o 227.4034 10.88063 1242.143       117.9500 1323.785       169.2617 1165.072       164.4550 234.2544 15.19541 219.6206 15.76759 14.63382       21.89789 
1 1 1 2   -3  15 o 85.73898 14.42016 181.2973       57.01361 184.4745       76.12805 177.2392       86.03704 85.84406 19.04731 84.07972 21.36362 1.764336       28.62175 
1 1 1 2   -3  16 o 376.2164 14.79066 3405.719       265.5135 3529.702       379.8222 3287.231       371.3082 381.7852 20.88867 368.3332 21.17480 13.45197       29.74405 
1 1 1 2   -3  17 o 168.2035 13.21130 683.3308       105.3881 641.0846       160.3784 715.4367       139.8120 161.5273 21.28537 171.5250 17.28487 -9.997757      27.41959 
1 1 1 2   -3  18 o 384.8780 11.40986 3556.289       209.7162 3181.058       392.1834 3706.553       248.1801 361.6226 22.80036 392.6421 13.23986 -31.01947      26.36571 
1 1 1 2   -3  19 o 585.2588 11.66766 8220.800       326.4677 8473.089       827.0993 8174.239       355.3181 587.1612 29.55909 583.3750 12.73976 3.786194       32.18760 
1 1 1 2   -3  20 o 146.8619 17.48852 528.1550       120.3828 312.5639       162.5051 790.3554       179.2124 110.7626 29.96720 179.2203 21.33397 -68.45765      36.78548 
1 1 1 2   -3  21 o 70.38365 27.80870 71.73706       138.3160 -267.7081      242.3425 235.7339       168.4467 63.45213 30.04079 98.18330 31.59913 -34.73118      43.59993 
1 1 1 2   -3  22 o 179.0066 15.62838 780.4485       132.4095 893.8852       185.9160 663.6833       188.6240 190.3978 20.76015 162.5147 25.08348 27.88315       32.56018 
1 1 1 2   -3  23 o 74.78919 26.04863 126.1651       114.2312 113.1084       151.3535 143.4460       174.1237 77.68896 29.52175 84.76795 31.78508 -7.078987      43.38001 
1 1 1 2   -3  24 o 211.8719 16.56356 1097.605       166.4456 985.7368       288.1452 1153.625       203.9055 194.8878 32.03793 216.1773 19.95431 -21.28958      37.74392 
1 1 1 2   -3  25 o 265.2669 14.68392 1711.331       185.4964 1817.922       269.7864 1615.759       255.4623 271.0651 20.98118 255.4100 21.10924 15.65517       29.76256 
1 1 1 2   -3  26 o 80.41253 23.80798 163.7869       97.99335 323.7642       179.0003 95.32335       117.0993 110.8394 32.00142 69.54986 26.06852 41.28950       41.27540 
1 1 1 2   -3  27 o 173.6713 17.41800 744.7793       142.6720 508.0567       315.7204 805.5246       159.9333 135.3241 43.23186 180.2050 18.84181 -44.88086      47.15938 
1 1 1 2   -3  28 o 51.69832 22.08653 4.029523       96.66520 152.8419       185.4690 -51.47035      113.2655 85.90732 32.67166 49.63978 22.42130 36.26754       39.62514 
1 1 1 2   -3  29 o 197.9268 17.33462 969.4357       162.3774 939.5773       237.8348 995.5048       222.2311 190.4537 26.86567 197.6045 24.01588 -7.150787      36.03508 
1 1 1 2   -3  30 o 119.6928 31.09077 387.8170       179.4891 662.1868       343.0032 284.3558       210.6292 149.8865 44.58377 104.2874 35.40656 45.59909       56.93274 
1 1 1 2   -3  31 o 216.6658 15.54912 1157.052       159.9953 1026.238       266.2805 1230.963       200.1542 196.7608 29.19061 221.8713 19.05361 -25.11058      34.85873 
1 1 1 2   -3  32 o 134.6248 19.70341 462.8316       123.0621 228.1861       211.1019 583.6191       151.4597 95.18532 35.13029 150.5204 21.67084 -55.33504      41.27665 
1 1 1 2   -3  33 o 151.9272 18.22125 585.0141       129.7121 530.7378       224.6684 612.1520       158.8640 135.3579 34.59227 153.3787 22.31895 -18.02077      41.16747 
1 1 1 2   -3  34 o 174.1237 21.88433 791.1237       178.1653 1005.301       241.2190 534.0268       264.2854 192.6699 26.92114 130.8798 39.18410 61.79004       47.54095 
1 1 1 2   -3  35 o 144.7234 25.47020 578.7210       169.7971 -3.291838      368.0846 736.0508       191.3757 84.60414 39.04026 163.7159 25.26237 -79.11179      46.50085 
1 1 1 2   -3  36 o 104.0635 27.86852 318.4326       141.4147 30.45155       225.5379 504.9964       181.5311 71.96825 32.14053 130.1929 29.80868 -58.22462      43.83574 
1 1 1 2   -3  37 o 115.3140 37.37276 480.0977       235.3653 315.9774       378.1387 583.8943       300.7193 95.12833 42.09898 120.0977 42.23285 -24.96938      59.63169 
1 1 1 2   -2  0  o 717.9388 10.46751 12356.19       359.2852 12356.19       359.2852 0.000000       0.000000 717.9388 10.46751 ?        ?        0.000000       10.46751 
1 1 1 2   -2  1  o 561.4603 7.367720 7546.163       197.7701 7450.256       279.8072 7641.908       279.5712 557.4783 10.49839 564.6246 10.35677 -7.146301      14.74716 
1 1 1 2   -2  2  o 670.9456 7.724497 10777.60       247.7798 10608.04       350.7203 10946.57       350.1076 665.1149 11.02950 675.6810 10.83806 -10.56610      15.46329 
1 1 1 2   -2  3  f 270.8672 8.216033 1758.611       106.2734 1699.746       206.6253 1779.783       123.9206 265.2157 16.37567 272.3674 9.531250 -7.151733      18.94749 
1 1 1 2   -2  4  o 622.7755 21.60509 9403.616       642.2998 9436.097       908.5214 9371.159       908.1769 619.3998 30.77642 617.2043 30.87552 2.195496       43.59457 
1 1 1 2   -2  5  o 898.8521 11.53334 19390.69       495.6231 18400.34       1781.750 19473.74       515.9877 852.0217 43.88880 900.6319 11.98350 -48.61017      45.49539 
1 1 1 2   -2  6  o 177.7545 8.018591 758.4612       67.96845 706.1713       111.8165 789.1041       85.59761 170.7829 13.81248 181.1203 9.923124 -10.33745      17.00744 
1 1 1 2   -2  7  o 146.9276 7.727648 518.6583       54.09156 549.9843       77.56030 488.9931       75.47629 150.9581 10.81842 142.2469 11.18838 8.711258       15.56335 
1 1 1 2   -2  8  o 287.8895 8.691895 1990.000       119.4953 2046.539       141.0468 1846.221       224.9248 291.7252 10.12838 275.5057 17.16170 16.21948       19.92757 
1 1 1 2   -2  9  o 343.0099 9.261247 2826.941       151.7354 3094.797       319.6307 2749.016       172.3998 356.1027 18.84140 337.9596 10.68340 18.14316       21.65949 
1 1 1 2   -2  10 o 329.8469 7.485759 2608.156       118.0474 2833.254       169.7974 2397.576       164.2303 343.1884 10.36067 315.5663 10.90202 27.62204       15.03986 
1 1 1 2   -2  11 o 300.1251 12.42622 2171.483       177.9136 2182.255       252.3957 2160.845       250.8274 299.5804 17.70110 298.1087 17.67854 1.471710       25.01719 
1 1 1 2   -2  12 o 76.63863 13.08472 145.1355       46.22277 257.2465       61.60666 0.7390479      69.91686 102.6593 12.83169 44.30000 18.85028 58.35926       22.80319 
1 1 1 2   -2  13 o 315.7263 12.98768 2397.878       195.6242 2233.161       277.7835 2559.944       275.5389 303.5194 19.24213 325.3667 17.78097 -21.84723      26.19966 
1 1 1 2   -2  14 o 147.6630 10.24779 524.9838       71.89648 538.0118       105.1835 513.5591       98.49929 148.8968 14.97922 145.5327 14.34299 3.364059       20.73881 
1 1 1 2   -2  15 o 651.7942 22.54185 10279.99       701.3812 10444.04       993.1897 10116.78       990.6210 653.0410 31.90804 642.4891 32.35440 10.55188       45.44150 
1 1 1 2   -2  16 o 498.5244 9.158849 5952.052       218.2909 5712.296       320.4927 6159.528       298.1381 487.6143 13.76157 506.7562 12.30581 -19.14185      18.46114 
1 1 1 2   -2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   -2  18 o 550.7772 11.57533 7275.886       304.8020 6808.800       715.6243 7379.399       336.8876 527.6452 28.47388 554.4908 12.70815 -26.84564      31.18106 
1 1 1 2   -2  19 o 236.0997 13.31880 1343.150       149.7285 1049.914       219.7005 1597.464       204.6010 206.9671 22.56872 256.9954 16.74345 -50.02834      28.10143 
1 1 1 2   -2  20 o 52.72702 22.40261 2.770763       98.49714 96.50641       238.5010 -16.50380      108.1509 89.26534 36.09200 52.82677 22.96814 36.43858       42.78046 
1 1 1 2   -2  21 o 322.8344 14.04463 2514.113       216.2511 2851.642       317.6391 2222.512       295.2385 342.4716 19.48031 301.9034 20.57788 40.56815       28.33604 
1 1 1 2   -2  22 o 580.3918 20.60994 8209.524       570.9741 8634.813       813.0145 7795.625       802.0556 589.8418 28.91880 559.5284 30.09365 30.31342       41.73637 
1 1 1 2   -2  23 f 302.1402 13.97801 2208.140       201.3648 2444.577       298.7329 2011.255       272.6032 316.0885 19.86866 286.5414 20.02523 29.54709       28.20946 
1 1 1 2   -2  24 o 333.0574 12.78287 2680.642       203.1649 2574.867       341.2500 2738.719       252.8617 322.8931 22.24164 335.6999 15.79951 -12.80682      27.28214 
1 1 1 2   -2  25 o 240.0314 15.35559 1403.839       175.2909 1293.549       304.8297 1458.327       214.2602 224.9960 29.01298 243.6265 18.53447 -18.63051      34.42789 
1 1 1 2   -2  26 o 128.7637 18.52767 413.4212       110.7780 640.9793       187.8268 292.0442       137.1764 158.4142 25.67854 105.8908 27.01337 52.52345       37.27077 
1 1 1 2   -2  27 o 216.5756 14.42786 1143.699       148.5375 1400.189       235.3815 973.9669       191.4780 237.2722 20.96544 197.7531 20.55232 39.51907       29.35895 
1 1 1 2   -2  28 o 172.3472 19.14876 739.5812       155.1202 1007.517       217.8063 463.7952       220.9741 199.7363 23.24262 130.5515 34.78051 69.18488       41.83184 
1 1 1 2   -2  29 o 188.1139 15.80857 870.8454       140.8604 1073.328       235.6013 758.2017       175.7266 205.1354 24.50735 173.2428 21.69058 31.89253       32.72753 
1 1 1 2   -2  30 o 263.6703 14.87613 1702.559       186.7646 1846.625       293.7026 1604.756       241.9939 270.3022 22.94400 253.4592 20.13584 16.84294       30.52669 
1 1 1 2   -2  31 o 98.49644 30.30838 257.5564       156.6399 19.94640       212.8132 538.4749       231.3963 75.06441 32.42863 139.1596 34.85819 -64.09519      47.60997 
1 1 1 2   -2  32 o 58.48904 25.16427 7.835103       127.1296 305.8458       358.8252 -34.94202      135.9480 111.4075 44.53793 55.94835 24.97200 55.45916       51.06102 
1 1 1 2   -2  33 f 114.1521 23.56121 345.4773       124.3201 27.25720       210.6079 515.6578       154.0160 73.92326 32.09677 139.9343 23.87761 -66.01109      40.00428 
1 1 1 2   -2  34 o 56.28316 26.70469 -180.9678      193.5218 336.5615       347.6340 -413.3674      232.9552 110.0828 43.89474 52.89906 26.04857 57.18377       51.04191 
1 1 1 2   -2  35 o 107.2851 25.16675 318.5543       126.8419 19.22671       217.6539 472.4920       156.0866 72.14909 31.93407 130.8329 25.87102 -58.68379      41.09859 
1 1 1 2   -2  36 o 95.78677 28.59817 269.9772       140.9256 650.3453       365.4774 203.5462       152.7369 128.3805 46.40295 84.63922 30.06756 43.74132       55.29279 
1 1 1 2   -2  37 o 62.29596 27.49586 21.43840       160.2758 -95.27798      215.3374 166.4086       239.9899 61.62914 28.91083 82.60684 35.02820 -20.97771      45.41817 
1 1 1 2   -2  38 o 75.08743 28.38190 164.5024       139.4492 -228.6504      379.3555 225.9279       149.9477 69.72303 34.10866 84.23458 29.80460 -14.51155      45.29586 
1 1 1 2   -1  0  o 166.4639 2.845989 662.5362       22.64966 493.5979       27.67936 1004.902       39.40374 143.6100 4.035466 204.9897 4.020658 -61.37961      5.696549 
1 1 1 2   -1  1  o 652.6003 7.649127 10196.00       238.6533 9879.979       337.6277 10511.56       337.3860 641.8891 11.00195 662.1516 10.65765 -20.26245      15.31758 
1 1 1 2   -1  2  o 353.0324 8.659717 2985.029       146.1594 2965.043       321.4324 2990.238       164.1063 349.9959 19.28413 353.1178 9.729970 -3.121887      21.59977 
1 1 1 2   -1  3  o 519.4192 18.38365 6513.528       455.7983 6572.912       644.7064 6454.185       644.4858 519.2208 26.05503 514.4067 26.29309 4.814087       37.01609 
1 1 1 2   -1  4  o 208.8040 6.884780 1044.616       68.63458 1060.597       97.40291 1028.857       96.72853 210.1584 9.720635 206.9750 9.803121 3.183426       13.80550 
1 1 1 2   -1  5  o 804.2663 27.47133 15785.45       1054.751 15436.01       1491.723 16134.80       1491.563 786.5346 39.79932 804.9520 38.87309 -18.41736      55.63365 
1 1 1 2   -1  6  o 332.2070 8.755318 2645.694       138.9346 2692.234       159.0766 2496.033       285.2651 334.9800 9.943977 321.0258 18.66714 13.95413       21.15053 
1 1 1 2   -1  7  o 280.4133 8.805517 1886.111       117.9026 1875.811       138.8128 1912.784       223.3817 279.4556 10.40801 281.1521 16.69389 -1.696472      19.67264 
1 1 1 2   -1  8  o 252.7263 11.24864 1536.965       135.5718 1363.945       192.0330 1708.887       191.4233 236.9957 17.06255 265.8255 15.12466 -28.82982      22.80100 
1 1 1 2   -1  9  o 150.9891 9.151157 549.0228       65.74854 546.9504       91.09660 551.2762       94.99054 150.1718 12.81056 150.6809 13.32316 -0.5090485     18.48289 
1 1 1 2   -1  10 o 143.5143 9.672262 496.9262       65.97626 489.7560       95.67220 503.4280       91.10436 141.6923 14.31944 143.8518 13.40110 -2.159500      19.61213 
1 1 1 2   -1  11 o 300.0204 9.310328 2163.200       133.3823 2254.592       255.4522 2128.945       156.3944 304.2331 17.63847 297.3154 11.02168 6.917725       20.79888 
1 1 1 2   -1  12 o 342.8197 9.680203 2823.033       158.4979 3181.979       325.0069 2711.027       181.5503 361.5917 18.86559 335.6429 11.33011 25.94885       22.00641 
1 1 1 2   -1  13 o 289.3714 9.968178 2010.716       137.6990 1993.152       168.1102 2046.525       240.0394 287.7730 12.24701 290.6232 17.35508 -2.850250      21.24118 
1 1 1 2   -1  14 o 263.6877 11.86286 1671.614       149.1675 1589.882       212.9468 1750.357       209.0175 256.2817 17.48454 269.1692 16.31902 -12.88751      23.91693 
1 1 1 2   -1  15 o 338.6321 13.63817 2757.122       220.3450 2649.347       313.0982 2862.878       310.1525 330.8518 19.88602 344.1674 18.92220 -13.31561      27.45002 
1 1 1 2   -1  16 o 259.9650 11.70557 1623.644       145.1110 1839.084       208.3207 1420.577       202.2497 276.1602 15.84491 242.3286 17.57669 33.83157       23.66434 
1 1 1 2   -1  17 o 791.9854 12.23573 15045.38       463.2928 14872.67       1427.239 15065.72       489.8170 774.7352 38.65530 792.3623 12.93009 -17.62714      40.76052 
1 1 1 2   -1  18 o 134.4850 19.41545 445.0111       121.2232 522.7417       156.6239 328.8808       191.4409 145.1677 23.35975 114.4822 33.10736 30.68549       40.51883 
1 1 1 2   -1  19 o 532.6296 19.35986 6856.687       492.1674 6718.471       699.4889 6992.202       692.6215 524.0977 28.01828 535.0569 27.16508 -10.95917      39.02520 
1 1 1 2   -1  20 o 169.5339 16.65421 699.0421       133.2457 531.4625       260.3153 758.5361       155.1051 143.5927 37.51357 176.2929 18.68699 -32.70015      41.91027 
1 1 1 2   -1  21 o 583.7918 12.01515 8186.554       335.3478 7991.231       812.2793 8226.686       368.1904 568.9268 29.96920 584.9370 13.16604 -16.01019      32.73373 
1 1 1 2   -1  22 o 423.9053 13.74910 4332.531       278.2765 4314.638       346.3229 4365.131       467.4706 422.0123 17.20121 422.1749 23.25058 -0.1625977     28.92180 
1 1 1 2   -1  23 o 299.5077 14.43729 2170.110       206.1204 1905.481       302.2940 2400.044       281.7823 278.0575 22.94380 313.7204 18.87451 -35.66290      29.70968 
1 1 1 2   -1  24 o 306.7034 13.42072 2274.990       196.3135 2413.888       312.7601 2184.691       252.1783 313.3637 20.99752 299.2590 17.70506 14.10471       27.46570 
1 1 1 2   -1  25 o 287.4333 14.20510 2004.615       194.5998 2156.778       290.8570 1881.302       261.8364 295.7592 20.70064 276.4427 19.94556 19.31647       28.74616 
1 1 1 2   -1  26 o 88.94499 26.38093 201.8064       120.2322 209.4312       292.0267 200.2502       131.9331 103.5890 40.56460 89.13457 27.87983 14.45438       49.22166 
1 1 1 2   -1  27 o 128.9696 24.51821 427.1802       145.6525 379.6865       193.5048 489.2625       221.2370 119.3578 32.86938 134.8733 34.25159 -15.51549      47.47176 
1 1 1 2   -1  28 o 241.1940 14.66695 1419.445       168.3281 1384.875       256.4728 1445.604       223.1040 234.7308 23.15527 241.5677 19.48306 -6.836899      30.26146 
1 1 1 2   -1  29 o 138.8126 19.37822 484.0863       125.1030 726.7925       207.0954 344.6279       156.9829 167.4352 26.77260 113.8232 28.82295 53.61195       39.33872 
1 1 1 2   -1  30 o 119.3718 27.98842 379.3402       156.9408 21.44758       209.0686 841.3622       237.5438 74.85629 32.23896 178.8790 28.75039 -104.0227      43.19648 
1 1 1 2   -1  31 o 76.16982 26.50126 138.0135       118.2191 8.303878       201.9361 205.6487       145.8191 72.47626 31.44903 89.63931 29.44070 -17.16305      43.07896 
1 1 1 2   -1  32 o 127.2569 27.81181 434.3627       164.4707 377.1682       218.7316 508.7701       249.4837 116.0394 35.83443 133.1698 37.56527 -17.13044      51.91585 
1 1 1 2   -1  33 o 58.32754 24.43923 29.58660       114.6060 79.70724       192.3033 1.979820       142.7205 76.46093 31.81854 60.69730 26.38751 15.76363       41.33667 
1 1 1 2   -1  34 o 146.5826 20.21163 553.3107       137.8760 106.8709       221.0419 837.6259       176.3978 81.78714 34.08042 180.4300 20.83124 -98.64282      39.94266 
1 1 1 2   -1  35 o 162.9851 23.34577 705.3882       176.7248 652.0523       239.1556 769.5458       262.2977 148.2859 34.40145 160.8913 35.09041 -12.60536      49.14058 
1 1 1 2   -1  36 o 56.12804 24.39092 12.29975       121.8344 -403.8372      213.2946 213.8259       148.4320 48.81726 24.19971 86.54015 29.71470 -37.72290      38.32218 
1 1 1 2   -1  37 f 98.83330 35.35156 317.2171       211.4884 611.0032       378.2807 183.6356       255.0773 120.7977 46.48037 85.66660 36.20914 35.13110       58.91965 
1 1 1 2   -1  38 o 83.54428 28.05962 214.3409       132.2817 145.7388       229.4042 248.5141       161.9107 77.94190 33.67035 87.90574 30.98259 -9.963837      45.75602 
1 1 1 2   0   0  o 339.3905 5.498937 2755.605       89.22505 1355.200       125.9664 4165.696       126.4013 237.4641 11.12648 417.2337 6.336708 -179.7696      12.80439 
1 1 1 2   0   1  o 373.0036 2.836041 3326.555       50.57478 297.6970       69.80363 6673.471       73.37717 110.5294 13.48877 528.3106 2.905115 -417.7813      13.79806 
1 1 1 2   0   2  o 160.6219 8.983934 619.9255       68.71408 588.2450       97.15417 651.6350       97.19862 155.9761 13.15092 164.3101 12.46639 -8.333954      18.12064 
1 1 1 2   0   3  o 554.6304 7.414892 7363.803       196.6151 7083.921       277.6928 7645.153       278.4201 543.5731 10.68559 564.7524 10.31179 -21.17938      14.84974 
1 1 1 2   0   4  o 115.6244 7.984377 321.6223       43.86557 303.4656       58.05582 345.7784       66.96408 111.9649 10.98697 119.4704 11.88123 -7.505524      16.18262 
1 1 1 2   0   5  o 141.8469 8.915621 483.8481       60.15580 458.2121       84.96662 509.6130       85.18009 137.5348 13.07917 145.2008 12.38868 -7.665955      18.01511 
1 1 1 2   0   6  o 709.0590 8.043028 12038.52       272.6530 11992.37       385.6220 12084.67       385.5571 707.0981 11.40706 709.8235 11.36135 -2.725403      16.09973 
1 1 1 2   0   7  o 415.6135 15.42383 4162.762       305.9399 4227.779       432.7817 4097.815       432.5471 417.1901 21.77370 410.6072 22.11587 6.582855       31.03556 
1 1 1 2   0   8  o 369.8344 14.15469 3295.593       249.8121 3416.242       353.5493 3175.300       353.0267 375.1580 19.78176 361.4414 20.51389 13.71661       28.49803 
1 1 1 2   0   9  o 361.7839 13.98487 3157.216       241.4335 3228.741       341.7981 3085.991       341.0800 364.2658 19.69980 355.9626 20.12408 8.303223       28.16133 
1 1 1 2   0   10 o 192.5172 10.16208 892.8723       93.20081 931.7971       132.5949 854.8605       131.0307 195.9626 14.25027 187.5573 14.73084 8.405350       20.49556 
1 1 1 2   0   11 o 338.4378 13.43310 2768.510       216.9202 2868.620       307.3615 2669.164       306.1850 342.7103 18.83156 330.3007 19.47591 12.40958       27.09130 
1 1 1 2   0   12 o 632.0778 10.84577 9605.314       327.7475 9882.945       942.9926 9567.169       349.5386 627.2213 31.54829 630.5638 11.59465 -3.342468      33.61146 
1 1 1 2   0   13 o 317.0493 9.758450 2414.141       147.7402 2503.579       177.5187 2212.589       266.4872 322.5790 11.52919 301.6487 18.56849 20.93030       21.85660 
1 1 1 2   0   14 o 123.0586 11.46006 366.5317       66.64780 323.9569       89.75806 418.8516       99.50167 114.7350 16.86621 130.8730 16.25179 -16.13805      23.42199 
1 1 1 2   0   15 o 295.8434 12.55096 2103.910       177.1166 2131.136       252.0431 2077.350       248.9469 296.9187 17.83759 293.1326 17.84833 3.786102       25.23375 
1 1 1 2   0   16 o 205.7920 10.51255 1017.482       103.0869 999.2520       155.8920 1031.649       137.4223 203.2314 16.17787 206.8270 13.97979 -3.595657      21.38126 
1 1 1 2   0   17 o 356.3666 12.69878 3050.699       216.0093 3000.709       273.6689 3133.310       351.8087 352.8780 16.26530 359.7618 20.53958 -6.883789      26.19990 
1 1 1 2   0   18 o 519.0849 12.53772 6465.190       311.1469 8190.765       724.9485 6075.542       344.4900 580.0621 26.20883 502.7074 14.34820 77.35468       29.87932 
1 1 1 2   0   19 o 882.6973 30.26119 19079.81       1275.156 18797.19       1804.861 19361.48       1801.830 864.9677 43.78754 878.6141 43.02590 -13.64648      61.38873 
1 1 1 2   0   20 o 138.3535 25.02669 479.1411       159.4475 413.2336       253.8753 522.0731       204.9008 127.9598 38.42648 143.2986 30.82397 -15.33875      49.26167 
1 1 1 2   0   21 o 371.3247 15.22643 3325.656       269.7354 3491.210       388.1510 3171.041       375.1099 378.8084 21.52103 360.8685 21.84438 17.93988       30.66483 
1 1 1 2   0   22 o 291.8655 13.53994 2054.802       188.4181 2101.502       287.5712 2019.673       249.4115 293.4488 20.62911 288.3132 18.18704 5.135559       27.50143 
1 1 1 2   0   23 o 396.6754 15.78747 3809.076       298.8051 4098.858       430.0702 3538.651       415.4570 409.1036 22.07032 379.6448 22.99756 29.45874       31.87455 
1 1 1 2   0   24 f 78.18141 27.73821 134.6549       129.9516 198.0191       165.1503 31.63809       210.5772 91.64443 31.34727 77.84751 32.90156 13.79692       45.44408 
1 1 1 2   0   25 o 238.2384 15.54354 1382.199       176.0728 1311.135       300.5693 1419.326       217.2511 227.2732 28.27175 240.3311 19.06400 -13.05788      34.09880 
1 1 1 2   0   26 o 58.76917 23.63646 43.82205       101.6990 175.9501       167.0531 -33.98230      128.1914 87.90916 31.42188 55.27200 24.48364 32.63716       39.83445 
1 1 1 2   0   27 o 267.4330 14.34728 1739.858       182.7681 2008.376       274.1928 1525.158       245.1799 285.0020 20.25533 247.9174 20.87954 37.08467       29.09010 
1 1 1 2   0   28 o 112.1719 25.49935 327.6333       133.6393 761.5339       305.1830 224.6905       148.6493 165.8859 39.12053 93.74111 29.63124 72.14481       49.07571 
1 1 1 2   0   29 o 123.0915 21.68365 386.7101       122.9456 376.4739       196.6061 393.2835       157.5514 117.9864 33.37009 122.1024 27.63571 -4.116028      43.32777 
1 1 1 2   0   30 o 227.1038 15.35798 1266.117       165.7696 1391.691       254.1110 1173.088       218.7174 234.4791 22.96193 215.8803 21.47605 18.59886       31.43995 
1 1 1 2   0   31 o 264.7198 16.02109 1724.305       201.8130 1801.302       291.9953 1653.885       279.2448 266.5533 23.14219 255.3555 23.12383 11.19775       32.71502 
1 1 1 2   0   32 o 109.2437 25.28926 315.9565       129.4702 428.8069       220.4095 256.5037       159.9797 123.5969 35.45686 98.07809 30.70395 25.51886       46.90332 
1 1 1 2   0   33 o 353.1064 14.65586 3069.847       246.8767 2779.888       390.7902 3262.423       318.4755 326.8480 25.20312 360.9328 18.51806 -34.08475      31.27485 
1 1 1 2   0   34 o 84.94650 27.03755 192.5706       123.5805 280.5966       208.3437 144.7887       153.4995 100.5197 35.16766 79.14605 29.80793 21.37363       46.10072 
1 1 1 2   0   35 o 74.45940 32.08868 51.53319       207.3813 469.6630       346.2491 -182.3661      258.9689 120.3950 44.88683 66.23771 31.26778 54.15733       54.70377 
1 1 1 2   0   36 o 145.5596 21.11559 562.3837       142.6593 409.5048       227.2971 661.7487       183.2470 113.0687 36.73286 154.6374 25.68730 -41.56870      44.82344 
1 1 1 2   0   37 o 73.50306 30.00717 117.9852       166.7356 -0.4281324E-07 214.1863 299.4553       265.6320 68.14734 30.80172 96.71653 38.43382 -28.56919      49.25347 
1 1 1 2   0   38 o 40.34019 19.73137 -194.5915      126.7999 -631.5009      233.2855 -11.38845      151.0631 44.43878 22.47346 57.30531 25.88767 -12.86653      34.28160 
1 1 1 2   0   39 o 112.4995 27.24045 395.8751       144.9332 444.8183       250.0393 371.1104       177.8603 104.0499 38.26231 102.8364 32.39984 1.213409       50.13735 
1 1 1 2   1   0  o 165.3492 7.550490 655.8743       59.53028 658.3986       100.6398 654.5157       73.83220 165.1168 12.84992 165.0173 9.397386 0.9953308E-01  15.91953 
1 1 1 2   1   1  o 77.05387 7.197906 143.3516       26.20924 147.2714       34.59383 138.0699       40.15590 77.82851 9.493409 75.00488 11.56995 2.823639       14.96625 
1 1 1 2   1   2  o 574.0823 9.877276 7898.039       271.0939 7933.421       772.8345 7893.074       289.4884 569.4936 28.47536 573.7999 10.55267 -4.306274      30.36783 
1 1 1 2   1   3  o 226.7522 7.928344 1232.576       85.81705 1280.838       103.1979 1124.385       154.5116 231.0273 9.362672 215.7303 15.07591 15.29695       17.74662 
1 1 1 2   1   4  o 267.5727 11.38143 1720.242       145.2627 1697.589       205.2743 1742.966       205.5910 265.0928 16.27522 268.6584 16.08004 -3.565613      22.87904 
1 1 1 2   1   5  f 173.2973 9.431109 721.6622       77.84364 764.2153       110.0853 679.1058       110.0898 177.9400 13.03073 167.5702 13.86575 10.36981       19.02785 
1 1 1 2   1   6  f 390.3052 14.68737 3666.974       273.5780 3696.698       387.0700 3637.302       386.7257 390.5322 20.80629 387.3334 20.96191 3.198792       29.53478 
1 1 1 2   1   7  o 84.54018 10.08516 173.7332       39.95897 184.7301       53.18461 159.4794       60.55018 86.72216 13.24724 79.95014 16.39203 6.772018       21.07577 
1 1 1 2   1   8  o 378.2654 9.286942 3429.414       167.9491 3460.156       189.6207 3317.511       361.7740 379.6806 10.45617 369.5970 20.55486 10.08353       23.06153 
1 1 1 2   1   9  o 295.5187 7.677574 2093.477       108.3801 2165.075       152.5522 2020.510       154.0033 300.1482 10.64787 289.8683 11.13343 10.27988       15.40553 
1 1 1 2   1   10 o 463.9692 16.96246 5219.152       375.6252 5484.219       531.2466 4954.150       531.1819 472.5544 23.58909 448.4107 24.87506 24.14365       34.28139 
1 1 1 2   1   11 o 91.97093 10.91120 206.2476       47.04308 301.7700       66.06938 108.0205       66.99827 111.1964 12.65279 66.11223 19.71377 45.08412       23.42490 
1 1 1 2   1   12 o 121.1455 11.22176 356.0439       64.25589 363.0991       83.35803 345.7134       100.8685 121.7408 14.61375 117.8901 18.50537 3.850708       23.57988 
1 1 1 2   1   13 o 438.4895 8.080320 4609.138       169.3933 4573.901       238.4946 4645.011       240.6362 436.0451 11.45025 439.4205 11.46419 -3.375397      16.20296 
1 1 1 2   1   14 o 317.6145 10.18984 2422.145       154.5304 2359.617       183.7401 2573.260       285.6419 313.1674 12.29600 325.7845 18.41428 -12.61710      22.14221 
1 1 1 2   1   15 o 34.17922 14.85597 -7.813102      45.21718 3.720520       70.46617 -15.88653      58.95582 45.01578 19.02948 38.10748 16.75332 6.908298       25.35340 
1 1 1 2   1   16 o 117.8165 12.00532 336.3094       66.67828 378.6841       96.40132 297.4422       92.32536 124.3940 16.62562 109.7037 18.24367 14.69032       24.68284 
1 1 1 2   1   17 o 60.29078 23.16914 58.93771       93.90968 -56.50407      202.2178 90.68044       106.0376 69.88686 30.86381 68.07447 24.93626 1.812393       39.67861 
1 1 1 2   1   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   1   19 o 680.8851 23.68805 11251.57       769.9267 11443.54       1090.521 11060.78       1087.168 681.5458 33.57138 669.7311 34.06565 11.81470       47.82788 
1 1 1 2   1   20 o 144.3806 16.18163 508.0178       109.7770 390.1140       166.9136 597.8933       145.7298 123.9571 28.72743 156.0714 19.98894 -32.11424      34.99747 
1 1 1 2   1   21 o 274.9773 13.79393 1822.519       180.7608 2107.903       268.8609 1587.115       244.1856 294.6876 19.18781 255.3156 20.16850 39.37199       27.83776 
1 1 1 2   1   22 o 566.6720 20.35912 7802.337       550.6717 8054.483       781.8389 7554.114       775.7318 571.2377 28.72021 552.7113 29.46300 18.52637       41.14509 
1 1 1 2   1   23 o 739.2399 13.14115 13161.16       464.4373 13287.13       502.1365 12415.49       1221.703 742.3293 14.14871 699.7695 36.64532 42.55988       39.28188 
1 1 1 2   1   24 o 75.98746 27.41004 122.8634       127.4436 171.1274       157.4647 31.21406       216.9881 86.95383 30.56194 78.89400 33.37389 8.059830       45.25316 
1 1 1 2   1   25 o 244.6059 14.24997 1452.208       165.9222 1366.060       246.5374 1523.535       224.3305 234.6754 22.23926 249.1314 18.97719 -14.45593      29.23556 
1 1 1 2   1   26 o 294.8929 14.20638 2111.676       199.6995 2071.955       298.0533 2144.032       269.0099 289.1163 21.72203 295.2852 19.15884 -6.168854      28.96390 
1 1 1 2   1   27 o 607.1161 13.82984 8933.041       401.4184 9049.974       453.8431 8512.803       860.3705 609.7685 15.58075 575.9068 31.36660 33.86169       35.02319 
1 1 1 2   1   28 o 189.1147 15.78665 877.3723       141.4319 1076.168       220.6217 738.6776       184.2783 206.9478 22.66920 170.8685 23.15337 36.07930       32.40325 
1 1 1 2   1   29 o 312.7280 15.14536 2389.203       225.7676 2509.891       333.1836 2286.746       306.9898 316.7415 22.14186 302.7482 21.34653 13.99329       30.75607 
1 1 1 2   1   30 o 56.38282 24.90063 -25.71800      131.6329 -470.9575      331.9955 57.33125       143.3848 67.33743 32.71029 67.94202 27.79247 -0.6045990     42.92301 
1 1 1 2   1   31 o 34.37418 17.17007 -301.2081      116.0322 -508.9745      197.1073 -191.0269      143.5385 44.36246 22.19225 46.38857 22.27794 -2.026112      31.44523 
1 1 1 2   1   32 o 68.81597 26.73982 87.19128       126.1057 -224.9408      208.5397 267.1266       158.3353 57.68431 27.46977 99.85222 30.42408 -42.16791      40.99040 
1 1 1 2   1   33 o 188.2177 20.24344 900.1469       179.2998 1119.156       376.9631 836.1122       203.8336 193.1696 42.01665 178.9650 24.46279 14.20462       48.61920 
1 1 1 2   1   34 o 56.71223 24.41955 9.304058       119.9018 -25.44193      209.5774 26.21056       146.1904 69.24623 30.94965 63.56598 27.15913 5.680252       41.17644 
1 1 1 2   1   35 o 38.08276 19.21194 -492.9384      164.4374 -679.2564      218.0618 -247.3189      250.3707 42.77929 21.64497 62.00560 29.68363 -19.22631      36.73721 
1 1 1 2   1   36 o 175.5128 21.93865 817.8541       180.0792 348.4098       387.5197 947.1474       203.3714 106.3322 44.77015 188.0274 23.10899 -81.69513      50.38245 
1 1 1 2   1   37 o 239.0629 19.03204 1496.692       215.7290 1783.338       308.9008 1223.778       301.4107 251.9383 26.01975 200.5155 32.55713 51.42284       41.67726 
1 1 1 2   1   38 o 81.43165 30.06536 196.7180       154.6432 585.8093       408.8684 131.7661       167.0528 112.2726 46.53035 73.66859 30.05047 38.60403       55.39046 
1 1 1 2   1   39 o 61.82514 28.29469 2.032189       187.9163 -263.8848      252.8879 329.9052       280.8069 56.29906 27.60544 91.30886 38.25645 -35.00980      47.17644 
1 1 1 2   2   0  o 252.6770 6.717165 1529.041       81.07273 1523.909       114.5900 1534.185       114.7184 252.0149 9.527849 252.8665 9.506211 -0.8515625     13.45912 
1 1 1 2   2   1  o 687.3939 7.485646 11311.39       246.0046 11408.63       356.8030 11223.29       339.6376 689.8010 10.81923 684.2565 10.38218 5.544495       14.99484 
1 1 1 2   2   2  o 73.03784 7.463516 129.0284       25.69555 140.3896       34.71375 115.2590       38.21619 75.91869 9.791915 68.29751 12.14930 7.621185       15.60407 
1 1 1 2   2   3  o 372.4688 8.719292 3322.844       155.2671 3099.681       343.6725 3380.076       174.0419 357.6707 20.17986 375.4507 9.704131 -17.77997      22.39190 
1 1 1 2   2   4  o 408.6344 9.065314 4000.091       177.1031 4025.278       196.1555 3889.002       411.9521 409.8235 10.01141 400.3793 21.60120 9.444153       23.80840 
1 1 1 2   2   5  o 207.9535 10.08022 1038.871       99.91923 1018.135       141.3008 1059.610       141.3135 205.3190 14.48787 209.5218 14.19110 -4.202805      20.28018 
1 1 1 2   2   6  o 554.9289 19.55541 7443.146       518.0042 7585.954       732.4097 7300.213       732.7275 557.2272 27.57813 546.3624 28.14619 10.86487       39.40509 
1 1 1 2   2   7  o 600.8578 10.38644 8655.934       298.3642 8618.798       318.4619 8922.604       853.3932 599.4387 11.11231 602.9750 29.69474 -3.536316      31.70585 
1 1 1 2   2   8  o 395.8306 14.91816 3776.395       281.8091 3847.375       398.4351 3705.342       398.6416 397.9430 21.01701 390.3802 21.44161 7.562775       30.02428 
1 1 1 2   2   9  o 171.2066 9.826595 705.4352       80.09468 739.2921       113.4204 671.7561       113.1221 174.7408 13.68563 166.4070 14.35928 8.333832       19.83647 
1 1 1 2   2   10 o 395.9343 9.770217 3763.459       184.9420 3747.531       208.4330 3822.418       401.0041 394.7067 11.05635 395.3264 21.29564 -0.6197510     23.99473 
1 1 1 2   2   11 o 270.7637 9.654238 1763.215       124.7732 1727.665       151.8654 1837.060       218.8777 267.5941 11.90040 274.7326 16.74365 -7.138489      20.54189 
1 1 1 2   2   12 o 481.2916 8.011400 5555.575       184.3423 5560.997       260.7432 5550.157       260.6557 480.7304 11.34496 480.2596 11.35227 0.4707947      16.04937 
1 1 1 2   2   13 o 519.8659 18.67214 6567.342       463.3272 6898.854       655.5599 6236.470       654.9279 528.8373 26.00855 501.8973 27.39809 26.94000       37.77698 
1 1 1 2   2   14 o 128.5609 11.00311 399.5658       66.97935 432.4011       95.46359 367.7299       93.99960 133.1205 15.27624 122.4020 16.48154 10.71847       22.47231 
1 1 1 2   2   15 o 223.5400 10.95381 1201.144       116.7090 1479.637       179.3136 996.4562       153.7276 247.5766 15.22300 202.8699 15.97878 44.70674       22.06947 
1 1 1 2   2   16 o 161.1124 12.13261 626.0724       92.76600 727.0040       123.8656 497.1500       139.9914 173.2949 15.10120 141.9609 21.28150 31.33405       26.09499 
1 1 1 2   2   17 o 366.7543 11.34845 3227.834       198.7455 3616.573       278.9192 2826.877       283.2684 387.6740 15.07760 342.2820 17.36711 45.39203       22.99892 
1 1 1 2   2   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   2   19 o 971.9191 13.19231 22679.84       612.9986 20363.64       2013.224 22916.52       643.5567 897.1922 47.10013 976.7827 13.78099 -79.59045      49.07482 
1 1 1 2   2   20 o 360.5141 15.14391 3131.802       260.4355 3489.401       372.0648 2788.278       364.6695 379.3258 20.59347 338.4278 22.66924 40.89804       30.62654 
1 1 1 2   2   21 o 63.51061 23.97574 72.01808       99.44028 32.82167       157.2907 98.11482       128.3432 69.40128 28.81986 72.75891 27.28722 -3.357628      39.68850 
1 1 1 2   2   22 o 417.4142 16.31519 4211.464       324.9605 4536.720       465.1794 3901.455       454.1463 431.0838 22.65045 399.2003 23.90510 31.88358       32.93170 
1 1 1 2   2   23 f 289.9457 14.59750 2033.070       201.6992 2196.828       308.7525 1911.155       266.4020 299.3799 21.71915 279.6554 20.05857 19.72455       29.56464 
1 1 1 2   2   24 o 231.3713 17.31515 1305.904       190.1441 1327.208       298.8206 1291.409       246.4828 229.7404 27.76875 228.3853 22.88194 1.355179       35.98176 
1 1 1 2   2   25 o 308.6652 14.59041 2311.061       214.7003 2405.979       314.1808 2227.901       294.0791 312.4894 21.15453 300.8999 20.56613 11.58948       29.50389 
1 1 1 2   2   26 o 137.0684 19.44953 468.9282       123.8799 640.7832       192.3281 347.0771       161.9483 158.2383 26.34888 115.0489 29.35216 43.18938       39.44379 
1 1 1 2   2   27 f 240.7134 16.07935 1417.094       183.9837 1175.688       252.5363 1690.166       268.5897 215.6979 24.94829 260.6337 21.75331 -44.93579      33.10020 
1 1 1 2   2   28 o 82.24580 26.38508 168.7084       117.5094 198.0622       191.5863 151.0060       148.7815 92.64069 33.58126 82.00547 29.61127 10.63522       44.77196 
1 1 1 2   2   29 o 89.35584 28.85868 202.4535       140.4160 174.9875       325.7756 208.7204       155.6129 102.1121 41.84525 91.22057 30.43049 10.89155       51.74012 
1 1 1 2   2   30 o 207.1856 16.31471 1058.380       160.2992 957.2668       249.7574 1129.207       209.0344 191.3919 28.13418 212.0369 20.89153 -20.64507      35.04266 
1 1 1 2   2   31 o 389.5992 16.57507 3737.768       308.0266 4051.817       449.0477 3458.674       423.3204 399.7544 23.60085 368.7571 24.14437 30.99722       33.76316 
1 1 1 2   2   32 o 58.60373 26.78241 -84.13943      167.5821 -240.3440      216.7526 147.9927       264.2317 58.36090 27.85135 92.31211 37.74098 -33.95121      46.90501 
1 1 1 2   2   33 o 265.8483 18.04610 1766.643       228.0046 1551.959       418.1901 1857.455       271.9863 231.6722 39.14998 270.4108 21.20807 -38.73856      44.52531 
1 1 1 2   2   34 o 202.3609 17.00043 1026.866       162.9538 1120.316       262.1785 968.0405       208.0127 204.1102 27.57175 192.7867 23.02315 11.32353       35.92028 
1 1 1 2   2   35 o 81.42327 27.80210 173.9081       129.8960 -128.7647      227.5872 320.1440       158.1933 64.61433 30.11780 106.2647 29.89103 -41.65037      42.43295 
1 1 1 2   2   36 o 121.3941 28.20305 421.2234       160.5497 -6.911734      419.7366 494.5978       173.7636 88.64110 41.17624 131.6659 28.43715 -43.02478      50.04152 
1 1 1 2   2   37 o 65.85062 29.32921 15.08701       186.4927 -164.8491      263.0511 196.9218       264.4353 64.74034 30.83607 87.54704 36.92859 -22.80670      48.11012 
1 1 1 2   2   38 o 51.35778 23.69224 -54.12320      135.4249 407.3323       267.8302 -212.6278      156.9696 104.5798 39.37666 45.67763 22.25702 58.90213       45.23159 
1 1 1 2   2   39 f 90.26537 36.48205 306.7856       243.5770 -67.23095      465.7391 447.6022       285.7749 77.53665 37.90168 101.5912 40.02367 -24.05458      55.12197 
1 1 1 2   3   0  o 475.7512 17.07083 5457.778       387.6487 5392.075       548.1921 5523.493       548.2440 470.7431 24.44164 476.5613 24.14148 -5.818176      34.35411 
1 1 1 2   3   1  o 136.9989 6.955159 450.3651       45.40557 415.2303       78.45037 468.0636       55.67934 130.9204 12.69276 139.5546 8.383953 -8.634201      15.21174 
1 1 1 2   3   2  o 594.1100 9.940897 8458.934       282.3585 8248.026       813.2941 8487.838       301.0864 580.2822 29.41160 595.0234 10.58397 -14.74121      31.25800 
1 1 1 2   3   3  o 256.0428 11.09398 1575.017       135.4804 1597.341       191.5641 1552.676       191.6324 257.2216 15.65160 253.5482 15.88871 3.673355       22.30300 
1 1 1 2   3   4  o 607.5793 21.14519 8936.713       613.2824 9009.138       867.2040 8864.251       867.4205 606.2003 30.01578 601.1636 30.27814 5.036682       42.63464 
1 1 1 2   3   5  o 176.5726 8.264323 748.2325       69.57166 776.2341       113.5344 731.3956       88.03717 179.2999 13.34019 174.3452 10.61230 4.954636       17.04646 
1 1 1 2   3   6  o 780.3915 26.68201 14852.59       994.0316 14789.37       1405.653 14915.83       1405.893 770.7195 38.26783 774.1469 38.10280 -3.427368      54.00232 
1 1 1 2   3   7  o 239.1058 10.87148 1374.194       123.9508 1381.925       175.3075 1366.465       175.2782 239.1196 15.41692 237.7580 15.50458 1.361572       21.86489 
1 1 1 2   3   8  o 262.1712 8.955905 1649.328       112.0894 1576.376       198.9659 1683.246       135.6667 255.1470 16.39779 264.6363 10.74533 -9.489334      19.60484 
1 1 1 2   3   9  o 215.7561 10.57385 1120.321       108.7376 1151.334       152.7017 1088.418       154.8778 218.0465 14.73481 211.8508 15.39661 6.195618       21.31127 
1 1 1 2   3   10 o 217.1725 9.468475 1134.514       98.07272 1129.987       154.8446 1137.546       126.7326 215.7012 15.11092 217.0054 12.26538 -1.304214      19.46226 
1 1 1 2   3   11 f 246.8587 9.373670 1465.668       110.4273 1522.708       137.5228 1362.136       185.2768 251.2440 11.47941 236.4398 16.49392 14.80423       20.09543 
1 1 1 2   3   12 o 195.4560 10.47442 920.9116       97.52102 796.7421       137.0296 1048.345       138.8189 180.7069 16.02707 207.9155 14.04787 -27.20863      21.31219 
1 1 1 2   3   13 o 388.1486 14.87893 3640.125       275.5962 3739.576       389.8975 3540.822       389.6064 391.4131 20.91154 380.6165 21.49806 10.79657       29.99098 
1 1 1 2   3   14 o 204.2077 10.56872 1003.080       102.8306 1031.074       151.8911 979.3925       139.7191 206.3156 15.51259 201.1991 14.62503 5.116455       21.31976 
1 1 1 2   3   15 o 228.4299 10.59105 1253.615       115.3498 1317.155       154.7012 1174.060       173.1040 233.7455 13.90623 220.2311 16.56203 13.51442       21.62601 
1 1 1 2   3   16 o 117.8408 12.50035 336.8382       69.35201 386.2516       99.53688 290.2183       96.68248 125.5787 17.01649 108.1152 19.41843 17.46348       25.81931 
1 1 1 2   3   17 o 360.6023 11.37489 3120.711       195.8577 3043.942       283.5555 3190.756       270.8503 355.3147 16.73938 364.0027 15.60000 -8.688019      22.88158 
1 1 1 2   3   18 o 554.4361 19.94659 7428.039       527.8619 7556.114       747.7531 7300.811       745.2719 556.2355 28.21055 546.5652 28.62070 9.670227       40.18681 
1 1 1 2   3   19 o 56.40263 23.20471 24.81671       100.6865 41.40807       152.2669 11.92535       134.2189 69.56959 28.56969 62.42596 26.31951 7.143627       38.84513 
1 1 1 2   3   20 o 505.9184 18.71205 6186.241       451.8156 6590.402       640.0717 5784.867       637.8616 519.6524 25.84475 486.0898 27.56034 33.56262       37.78258 
1 1 1 2   3   21 o 93.85926 28.19078 218.3020       136.6301 456.6956       270.2266 136.4271       158.3639 133.6810 39.52440 82.73860 30.44629 50.94235       49.89143 
1 1 1 2   3   22 o 576.2163 13.47334 7990.187       371.1670 8045.407       420.0453 7793.477       792.7944 577.4750 15.22768 561.2239 29.65240 16.25110       33.33387 
1 1 1 2   3   23 o 286.9524 13.71337 1988.970       187.5874 2191.876       316.8806 1879.501       232.7526 298.7755 22.34600 277.9857 17.60354 20.78976       28.44694 
1 1 1 2   3   24 o 291.0635 15.40066 2055.225       213.5439 2042.132       322.7687 2065.417       284.7796 287.2853 23.71102 290.1018 20.66827 -2.816528      31.45457 
1 1 1 2   3   25 o 322.5166 14.86272 2524.509       228.5545 2756.572       337.4508 2327.833       310.6585 334.4828 21.21149 307.2391 21.28093 27.24377       30.04671 
1 1 1 2   3   26 o 215.2316 16.95816 1135.673       173.0904 1577.248       322.9045 957.6310       205.0369 249.2012 27.56304 195.7166 22.31067 53.48463       35.46107 
1 1 1 2   3   27 o 109.8142 26.47886 314.4928       137.3869 104.6994       314.0096 364.1609       152.7868 96.38966 40.42472 117.9660 27.58609 -21.57636      48.94027 
1 1 1 2   3   28 o 88.08831 30.06761 188.9975       151.9258 23.42217       195.5033 441.4214       241.3913 73.55122 31.41598 127.1456 37.29382 -53.59438      48.76262 
1 1 1 2   3   29 o 256.1006 14.97317 1603.515       182.5299 1978.943       279.7194 1325.096       240.8846 281.7253 20.91693 229.6304 22.21902 52.09485       30.51562 
1 1 1 2   3   30 o 118.3550 24.27148 365.1874       132.7249 430.0217       213.7468 324.5020       169.3235 124.8215 34.61242 109.7112 30.94720 15.11029       46.43004 
1 1 1 2   3   31 o 219.4347 16.50213 1190.047       171.8541 1072.732       265.9292 1274.175       225.1951 202.0472 28.30535 224.7631 21.20754 -22.71596      35.36881 
1 1 1 2   3   32 o 91.45826 35.48909 180.2390       221.8953 260.6831       370.9521 135.4165       276.8972 109.7991 44.78321 92.33727 38.28206 17.46185       58.91563 
1 1 1 2   3   33 o 160.5417 23.83997 671.9393       177.4314 832.6412       403.7486 633.4753       197.5274 159.8981 48.55536 153.5122 27.94297 6.385849       56.02172 
1 1 1 2   3   34 o 134.0012 24.10286 477.0829       148.7369 620.1114       250.6803 399.3734       184.7761 144.8951 36.27411 118.3252 31.92974 26.56994       48.32514 
1 1 1 2   3   35 o 91.96618 29.33010 234.3696       145.3676 37.89354       252.1677 332.1603       177.9031 78.73202 34.62955 107.1958 32.16166 -28.46382      47.26075 
1 1 1 2   3   36 o 147.8478 22.28412 583.9941       152.6246 890.5258       274.8876 447.3847       183.5092 171.5728 34.70548 122.9693 31.17634 48.60350       46.65228 
1 1 1 2   3   37 o 99.80302 36.89965 328.4041       233.0809 968.0932       443.2613 83.93526       274.0231 145.9476 51.27821 79.57735 35.49041 66.37030       62.36204 
1 1 1 2   3   38 o 74.53025 28.64276 150.1157       143.5278 515.1158       274.3687 12.59984       168.4087 115.7720 40.36710 62.10619 27.75212 53.66584       48.98656 
1 1 1 2   3   39 o 59.68883 26.13105 42.55766       142.0761 334.5142       274.3367 -64.44784      166.0840 91.76425 38.07987 54.41788 25.48371 37.34637       45.82026 
1 1 1 2   4   0  o 467.8298 8.770553 5242.120       196.1658 5445.031       214.4393 4201.468       485.6288 476.7277 9.408612 415.3566 24.56511 61.37112       26.30526 
1 1 1 2   4   1  o 766.4303 9.987723 14077.72       365.9717 14405.33       384.7974 10973.13       1184.544 775.2176 10.38246 664.7665 37.42232 110.4511       38.83588 
1 1 1 2   4   2  o 610.7457 9.403192 8936.850       274.5643 8540.588       842.9413 8983.881       290.4012 590.2526 29.96917 612.2722 9.920772 -22.01959      31.56854 
1 1 1 2   4   3  o 616.1577 21.36153 9192.543       628.3118 8980.587       888.4395 9404.620       888.6947 604.8511 30.82517 619.3727 30.10195 -14.52155      43.08501 
1 1 1 2   4   4  o 292.4775 8.258554 2050.187       115.3639 2166.209       134.5876 1728.829       223.9900 300.5346 9.378512 267.2613 17.62853 33.27338       19.96802 
1 1 1 2   4   5  f 700.7280 24.08880 11941.59       805.7990 11785.22       1139.377 12098.06       1139.766 689.8607 34.65701 699.2965 34.19518 -9.435852      48.68695 
1 1 1 2   4   6  o 807.7102 11.17490 15653.79       431.5266 14951.97       1444.923 15722.51       452.1621 772.2986 39.26253 809.3396 11.68571 -37.04095      40.96465 
1 1 1 2   4   7  o 195.7337 10.11115 921.3802       94.29746 995.2531       132.5929 845.7801       134.1339 202.9479 13.74668 186.7841 15.15067 16.16377       20.45761 
1 1 1 2   4   8  o 57.03601 12.83634 81.34166       34.15475 69.86182       55.01432 88.54143       43.56795 54.91634 18.08571 59.47181 15.25144 -4.555473      23.65797 
1 1 1 2   4   9  o 246.1179 11.21821 1459.427       131.6533 1597.356       185.6292 1319.830       186.7477 256.6916 15.19404 232.8473 16.89033 23.84433       22.71877 
1 1 1 2   4   10 o 363.2526 9.431393 3170.996       163.6535 3138.343       185.3906 3286.260       348.3149 361.0908 10.75095 366.4776 19.95529 -5.386841      22.66708 
1 1 1 2   4   11 o 329.3408 8.056696 2601.624       126.8559 2592.120       176.7530 2611.719       182.1725 328.0137 11.28793 329.1828 11.59354 -1.169098      16.18108 
1 1 1 2   4   12 o 268.5491 11.91350 1738.656       152.5770 1821.401       214.6001 1654.070       216.9723 273.8396 16.46784 260.6373 17.51410 13.20233       24.04025 
1 1 1 2   4   13 o 134.4857 10.63261 436.8408       67.80766 601.2371       94.63443 263.3875       97.20631 157.6236 12.66447 102.4061 20.56945 55.21755       24.15556 
1 1 1 2   4   14 f 259.8053 11.83571 1623.452       146.6252 1772.135       206.9688 1473.641       207.7520 270.7907 16.05897 246.5349 17.74490 24.25578       23.93265 
1 1 1 2   4   15 o 224.5187 11.64529 1212.209       124.5731 1187.308       170.3267 1240.848       182.6659 221.5757 16.19049 226.4112 16.99942 -4.835464      23.47578 
1 1 1 2   4   16 o 549.3594 19.53864 7286.390       512.3506 7231.030       724.2767 7341.840       724.8702 544.4730 27.91722 548.7155 27.72132 -4.242493      39.34263 
1 1 1 2   4   17 o 626.3593 22.02566 9496.202       658.5434 9382.996       930.3478 9609.882       932.2972 618.5886 31.56262 626.1999 31.23968 -7.611328      44.40852 
1 1 1 2   4   18 o 61.36580 23.63502 60.62662       97.87734 -72.94155      133.9888 213.4481       143.3208 53.72239 24.31412 93.61577 29.02324 -39.89338      37.86192 
1 1 1 2   4   19 o 507.6273 13.38132 6193.074       324.4691 5965.512       370.3381 6944.805       673.1009 497.7300 15.58230 533.4862 26.47326 -35.75620      30.71875 
1 1 1 2   4   20 o 186.5691 17.33282 846.2634       152.8347 822.3766       194.4645 884.8550       247.1773 182.7862 22.74355 188.2941 28.33502 -5.507874      36.33377 
1 1 1 2   4   21 o 93.08720 24.34837 218.8096       109.5768 208.8749       161.2102 227.3413       149.3935 93.83985 30.96202 96.05396 29.60657 -2.214111      42.83918 
1 1 1 2   4   22 o 275.2425 14.41424 1830.380       189.0164 1796.990       270.6949 1862.149       264.0481 271.0921 21.05084 276.2513 20.13080 -5.159210      29.12708 
1 1 1 2   4   23 o 468.7095 13.72464 5301.003       307.2170 5618.832       374.5027 4647.039       537.2001 481.6567 16.28674 433.5559 26.03684 48.10083       30.71115 
1 1 1 2   4   24 o 442.1225 14.20444 4727.437       299.8549 4764.787       369.6953 4655.619       512.6372 442.5416 17.50811 433.6294 24.83148 8.912170       30.38316 
1 1 1 2   4   25 o 271.1841 16.23313 1792.706       209.4991 2086.906       284.1501 1442.314       310.1010 291.0148 20.55548 238.6671 27.69037 52.34769       34.48601 
1 1 1 2   4   26 o 231.6852 17.49094 1317.596       192.3093 1263.809       249.8678 1395.755       301.2020 224.4857 23.63588 234.2056 27.41837 -9.719910      36.19975 
1 1 1 2   4   27 o 181.5693 17.54136 813.2944       150.3761 1038.246       223.2354 626.4233       203.4649 203.0693 23.42245 155.1572 28.47808 47.91205       36.87291 
1 1 1 2   4   28 o 219.5958 15.67484 1181.550       163.4822 1436.010       249.6915 990.6206       216.2871 239.4720 22.05688 198.0361 23.28898 41.43597       32.07620 
1 1 1 2   4   29 f 172.9335 18.17333 743.2899       148.0100 710.2866       230.2491 766.5317       193.2214 163.6036 30.56074 173.2993 23.96161 -9.695755      38.83449 
1 1 1 2   4   30 o 128.3574 25.82455 432.5330       152.9807 -198.6013      352.5438 578.9436       169.8003 80.82542 37.61045 149.5544 24.60299 -68.72897      44.94278 
1 1 1 2   4   31 o 240.6072 20.56249 1455.578       234.2686 1220.158       380.7751 1598.964       297.1673 206.8179 39.95619 249.2063 25.29207 -42.38844      47.28833 
1 1 1 2   4   32 o 158.0520 23.39797 644.8449       171.4678 743.7486       385.0745 620.3845       191.5009 154.4324 47.52089 153.0904 27.15915 1.341980       54.73439 
1 1 1 2   4   33 o 64.78702 27.06113 43.77872       139.8567 12.70487       231.2805 61.69171       175.6004 75.81571 33.26143 72.38696 30.28536 3.428757       44.98362 
1 1 1 2   4   34 o 118.2001 27.33344 384.2714       151.3798 345.7682       249.1341 406.8076       190.6006 108.9106 38.42828 118.8876 32.57496 -9.976936      50.37718 
1 1 1 2   4   35 o 111.0723 33.64295 363.4281       194.0020 228.5483       254.3264 551.1305       300.0219 95.05406 37.66035 130.1033 42.19721 -35.04922      56.55888 
1 1 1 2   4   36 o 81.68056 29.51174 179.5363       147.8107 261.2630       253.3210 137.3478       182.0061 95.61533 37.67851 78.52861 31.60751 17.08672       49.18033 
1 1 1 2   4   37 o 54.10918 25.28084 -89.10371      161.8958 -353.7132      431.8634 -45.83694      174.6309 73.75793 36.14728 59.23064 27.17027 14.52729       45.22002 
1 1 1 2   4   38 o 76.40639 32.03242 140.8020       197.0554 75.39160       265.7946 220.6343       293.6379 76.07565 34.35570 87.31612 37.90561 -11.24048      51.15808 
1 1 1 2   4   39 o 118.7079 27.87470 445.9808       155.4788 -46.75118      279.2914 667.2540       187.1615 67.30651 31.97717 146.3235 27.76985 -79.01701      42.35214 
1 1 1 2   5   0  o 369.2689 6.955608 3264.365       122.7966 3202.212       173.3840 3326.917       173.9385 365.3252 9.936296 372.3975 9.778144 -7.072235      13.94066 
1 1 1 2   5   1  o 281.1385 8.229565 1894.796       110.4938 1804.428       217.6014 1926.191       128.2594 273.1086 16.74599 283.3281 9.482081 -10.21942      19.24417 
1 1 1 2   5   2  o 78.14581 7.679425 147.6388       28.32062 0.000000       0.000000 147.6388       28.32062 ?        ?        78.14581 7.679425 0.000000       7.679425 
1 1 1 2   5   3  o 101.1993 8.474629 247.0555       40.62597 245.3306       57.06166 248.8286       57.85415 100.3609 12.13882 101.0714 12.22070 -0.7105255     17.22488 
1 1 1 2   5   4  o 580.0652 7.612119 8058.095       211.1012 8170.736       298.1023 7944.787       298.9841 583.5844 10.68448 575.4227 10.86808 8.161743       15.24051 
1 1 1 2   5   5  o 549.3073 9.970014 7237.295       261.8300 7225.586       281.3237 7313.114       715.8427 548.7175 10.72381 545.4727 27.53870 3.244812       29.55301 
1 1 1 2   5   6  o 99.25974 8.800096 238.0387       41.32851 211.5252       57.36424 266.6535       59.59418 92.83870 13.30395 104.6399 12.13724 -11.80124      18.00855 
1 1 1 2   5   7  o 234.4210 10.78254 1322.834       120.5207 1334.583       169.7989 1310.906       171.0924 234.6582 15.21735 232.5032 15.48011 2.155029       21.70718 
1 1 1 2   5   8  o 405.4257 9.372249 3946.235       181.6617 3978.005       202.7385 3816.826       409.1720 406.7123 10.43517 394.4291 21.78303 12.28323       24.15353 
1 1 1 2   5   9  o 182.3982 9.155908 800.7833       79.58650 758.2917       102.1896 866.2886       126.8802 177.0108 12.14899 188.8575 14.15542 -11.84673      18.65406 
1 1 1 2   5   10 o 94.51247 10.35709 217.2528       46.03330 276.9885       63.98856 153.1750       66.27339 106.4376 12.83343 77.86034 18.14165 28.57729       22.22198 
1 1 1 2   5   11 o 83.16084 11.48962 169.4350       44.46151 228.9040       60.51602 99.68163       65.54021 96.53665 13.47900 63.91445 19.59352 32.62220       23.78213 
1 1 1 2   5   12 o 403.1070 15.30998 3925.444       294.5190 4266.105       416.2613 3583.958       416.7645 418.4065 20.87531 382.6649 22.88507 35.74158       30.97588 
1 1 1 2   5   13 o 209.0061 11.00880 1051.055       109.6158 1063.471       153.9638 1038.293       156.0985 209.5824 15.47496 207.0007 15.89477 2.581680       22.18373 
1 1 1 2   5   14 o 548.0321 19.51973 7258.901       510.6154 7465.223       721.5183 7051.890       722.7218 552.8726 27.38214 536.9440 28.25301 15.92853       39.34481 
1 1 1 2   5   15 o 205.2956 10.63230 1012.812       103.9999 1022.722       139.2209 1000.300       156.4357 205.8745 14.23229 203.3072 16.22903 2.567337       21.58563 
1 1 1 2   5   16 o 284.5491 12.44426 1946.115       168.8820 1837.480       227.6446 2079.087       251.8569 275.7553 17.35535 293.2675 18.05058 -17.51221      25.04060 
1 1 1 2   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   5   18 o 191.8827 14.29300 889.5420       130.1778 821.8890       178.2826 966.8052       190.5249 183.2999 20.70614 199.0658 20.30313 -15.76596      28.99933 
1 1 1 2   5   19 o 78.60320 24.69056 148.7413       103.3642 178.5813       140.2608 113.2738       152.9156 87.34064 28.88289 78.85173 29.73936 8.488914       41.45662 
1 1 1 2   5   20 o 627.7735 13.10322 9469.511       393.2687 9505.886       934.4197 9461.682       433.5349 620.5981 31.59766 627.1624 14.45891 -6.564331      34.74870 
1 1 1 2   5   21 o 331.8883 14.18124 2656.210       224.4979 2564.480       327.8287 2737.215       308.0679 324.3349 21.25914 335.6945 19.27630 -11.35962      28.69715 
1 1 1 2   5   22 o 39.29285 18.80620 -137.5059      100.3725 -414.8584      147.4459 102.0203       137.0229 37.94100 19.01111 74.40508 28.13168 -36.46408      33.95311 
1 1 1 2   5   23 o 200.7775 17.11711 984.0244       162.7408 1241.663       277.6358 849.1659       200.8673 222.7215 26.59904 184.7418 23.25657 37.97966       35.33238 
1 1 1 2   5   24 o 166.5975 16.50911 679.8918       129.7648 589.2645       185.5942 766.5690       181.5044 152.0820 26.48772 175.4057 22.13588 -23.32370      34.51951 
1 1 1 2   5   25 o 103.0660 24.28531 273.6394       117.6881 281.2766       170.2905 266.6566       162.8320 104.3048 31.50442 101.7542 30.82231 2.550552       44.07429 
1 1 1 2   5   26 o 349.7621 15.71875 2982.477       262.1730 3674.281       371.4283 2295.566       370.1123 385.8901 20.20312 301.6667 25.91327 84.22342       32.85823 
1 1 1 2   5   27 o 143.8879 20.63591 520.4616       137.8990 589.3040       193.8857 449.9862       196.1718 150.4787 27.97980 129.7829 31.85644 20.69585       42.39931 
1 1 1 2   5   28 o 165.0727 19.01479 679.2947       147.3250 663.8046       206.6348 695.3098       210.1066 159.4550 28.13351 163.3856 27.89866 -3.930649      39.62107 
1 1 1 2   5   29 o 162.4439 19.39646 661.0754       147.6648 912.8354       210.3980 416.6854       207.2956 189.2445 23.77830 123.3566 34.04002 65.88785       41.52265 
1 1 1 2   5   30 o 142.0891 26.55183 530.8953       173.7393 665.5641       212.8485 262.0294       300.7496 158.1041 29.23572 106.2163 41.28842 51.88787       50.59111 
1 1 1 2   5   31 o 129.0562 29.07597 449.1912       175.0822 585.3080       219.4471 210.8076       290.4104 146.0577 32.28623 100.2059 40.06506 45.85181       51.45493 
1 1 1 2   5   32 o 140.0572 22.85621 507.7354       147.7712 774.6639       232.8337 327.6982       191.2182 169.6802 29.78771 108.9414 33.48058 60.73887       44.81358 
1 1 1 2   5   33 o 92.31702 29.04077 230.7571       142.9452 264.3545       231.7818 210.1348       181.5914 99.83529 36.81708 90.56223 32.71203 9.273056       49.25012 
1 1 1 2   5   34 o 191.7602 18.46537 933.7189       167.1968 1462.598       268.5048 598.7689       213.6799 235.7513 24.16421 145.0618 31.69859 90.68953       39.85862 
1 1 1 2   5   35 o 161.3850 27.11845 715.1555       201.8229 649.9253       263.3439 808.0002       314.1794 145.0053 37.65628 158.7464 41.08315 -13.74118      55.72990 
1 1 1 2   5   36 o 46.76974 22.43101 -161.9346      144.4269 -44.73277      236.7361 -231.4169      182.2781 68.98236 31.64034 50.40246 24.42600 18.57990       39.97175 
1 1 1 2   5   37 o 146.7612 28.20307 635.1530       190.6979 571.1713       432.6460 650.5806       212.4485 113.3264 47.48407 145.1079 31.52680 -31.78149      56.99715 
1 1 1 2   5   38 o 55.25992 25.77958 -69.80595      167.3176 -673.7024      435.4287 34.80966       181.2316 64.29623 32.28043 64.96024 28.92386 -0.6640015     43.34300 
1 1 1 2   5   39 o 55.26509 25.39503 -19.74755      153.4604 84.42964       266.9197 -71.18549      187.5582 72.53702 33.39011 56.42127 26.62657 16.11575       42.70684 
1 1 1 2   6   0  o 429.6982 9.135819 4429.132       187.6806 4435.147       206.1157 4399.945       454.0174 429.8364 10.02997 424.0134 22.47702 5.822998       24.61335 
1 1 1 2   6   1  o 287.4810 8.301137 1982.768       113.9725 2012.481       131.9692 1895.567       226.0790 289.4602 9.549270 279.4605 17.00165 9.999695       19.49986 
1 1 1 2   6   2  o 128.6306 7.907224 398.0091       48.39191 0.000000       0.000000 398.0091       48.39191 ?        ?        128.6306 7.907224 0.000000       7.907224 
1 1 1 2   6   3  o 129.0894 6.300772 399.9480       38.76847 491.0939       69.37199 358.5543       46.75015 142.6590 10.23941 122.0442 8.057388 20.61481       13.02947 
1 1 1 2   6   4  o 563.9520 19.58612 7738.968       527.2775 6986.837       745.2355 8492.908       746.1313 529.8878 29.53405 586.4467 26.68196 -56.55884      39.80185 
1 1 1 2   6   5  o 310.2207 12.57165 2321.424       186.0677 2351.251       262.9091 2291.491       263.3704 310.8244 17.76621 306.7525 18.03813 4.071899       25.31822 
1 1 1 2   6   6  o 119.5501 8.970862 344.9295       50.89951 316.9374       71.18190 374.2178       72.81130 113.8856 13.32513 124.0305 12.44702 -10.14494      18.23424 
1 1 1 2   6   7  o 588.9886 10.38178 8339.611       292.3391 8390.508       816.2726 8332.123       313.1082 578.6205 29.60596 588.4769 11.12901 -9.856384      31.62860 
1 1 1 2   6   8  o 292.2860 12.20488 2061.711       170.1740 2074.244       239.8663 2049.010       241.4664 291.7995 17.27123 289.9406 17.50113 1.858826       24.58831 
1 1 1 2   6   9  o 64.25709 11.59255 102.3664       34.30297 76.27287       46.28155 134.1746       51.09886 55.63070 16.33314 73.18713 15.10493 -17.55643      22.24703 
1 1 1 2   6   10 o 431.6687 15.96071 4510.791       328.8232 4383.805       463.9776 4638.931       466.0821 422.6816 23.04738 435.1093 22.48179 -12.42764      32.19647 
1 1 1 2   6   11 o 447.7822 16.51741 4848.013       352.9979 4959.853       498.6881 4735.699       499.7425 450.4471 23.23524 439.8628 23.85332 10.58429       33.29950 
1 1 1 2   6   12 o 565.3194 8.106396 7654.864       219.0938 7782.304       306.4005 7521.528       313.4091 569.4767 11.25395 559.7648 11.71110 9.711975       16.24196 
1 1 1 2   6   13 o 197.0379 10.69096 933.5154       100.3333 916.8831       139.3926 951.3969       144.5325 194.7020 15.09256 198.3127 15.36402 -3.610733      21.53691 
1 1 1 2   6   14 o 579.1285 20.32817 8104.244       561.9630 7943.421       793.1956 8266.322       796.2847 570.1087 29.19868 581.8159 28.71563 -11.70721      40.95302 
1 1 1 2   6   15 o 639.7791 22.34169 9909.063       682.3190 9831.796       962.0742 9987.258       967.8411 633.1758 31.88422 638.2057 31.82050 -5.029846      45.04606 
1 1 1 2   6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   6   17 o 51.05957 22.71808 -41.26595      111.5993 -786.0444      183.7389 394.1024       140.4805 ?        ?        125.4152 24.30700 0.000000       24.30700 
1 1 1 2   6   18 o 178.3755 16.47673 772.4925       138.9250 757.4561       164.8537 809.3364       258.0541 175.9832 19.94507 179.2727 31.24352 -3.289520      37.06702 
1 1 1 2   6   19 o 454.9176 17.21769 4996.714       373.7931 4828.963       525.1685 5168.952       532.1472 444.8352 24.79207 460.4707 24.25806 -15.63550      34.68573 
1 1 1 2   6   20 o 475.9109 13.25195 5449.319       301.2249 5574.828       575.9462 5402.062       353.4145 477.3195 25.32923 473.2412 15.64194 4.078308       29.76978 
1 1 1 2   6   21 o 215.1357 14.49417 1120.244       148.2082 1052.953       205.1293 1193.736       214.3721 207.1192 21.00586 220.7749 20.54583 -13.65573      29.38328 
1 1 1 2   6   22 o 159.0655 16.94855 619.2930       126.9065 685.2929       174.7034 545.5593       184.6557 166.0015 22.59937 146.4594 27.37798 19.54211       35.50050 
1 1 1 2   6   23 o 290.3662 14.63175 2042.948       202.4644 2198.795       282.7691 1879.000       290.0247 299.6029 19.85337 276.0286 22.16333 23.57425       29.75516 
1 1 1 2   6   24 o 181.2378 18.46772 809.1592       157.7853 888.6191       191.8398 643.0074       277.4067 189.0204 21.61692 154.5860 37.84488 34.43443       43.58356 
1 1 1 2   6   25 o 233.6508 16.38438 1335.392       181.8629 1494.389       236.2889 1104.327       284.8508 245.7863 20.28893 207.0412 29.62047 38.74512       35.90283 
1 1 1 2   6   26 o 295.8192 15.28427 2134.042       215.4290 2354.646       302.5560 1907.184       306.8139 308.3113 20.64516 275.9099 23.48236 32.40146       31.26730 
1 1 1 2   6   27 o 202.4337 18.30260 1013.565       175.2232 1311.111       303.2606 864.4462       214.6868 225.3114 28.81136 184.1393 25.03428 41.17203       38.16817 
1 1 1 2   6   28 o 98.16828 35.31075 233.1811       211.3239 -14.64878      296.9375 487.5249       300.8145 84.76402 37.41848 131.7463 42.21048 -46.98231      56.40804 
1 1 1 2   6   29 o 284.9513 17.16471 2003.413       232.7541 2315.740       308.0034 1587.601       355.3858 303.9107 21.33383 245.0518 31.02883 58.85892       37.65529 
1 1 1 2   6   30 f 145.2197 26.97571 556.8609       180.3939 677.4094       214.7675 268.0552       332.4227 159.2780 29.28232 108.3678 43.01731 50.91020       52.03790 
1 1 1 2   6   31 o 80.62218 29.91000 146.1610       153.3778 105.7234       203.3753 199.4937       233.5621 81.45766 33.18350 94.45441 36.47562 -12.99675      49.31141 
1 1 1 2   6   32 o 190.1890 19.18925 911.5640       172.0991 1304.595       249.6368 555.5803       237.5802 225.0957 23.54494 139.4814 35.53319 85.61429       42.62595 
1 1 1 2   6   33 o 98.35737 28.74364 267.1754       143.6232 585.5413       220.4695 32.46054       189.3022 143.2430 32.88902 71.00948 30.63040 72.23354       44.94339 
1 1 1 2   6   34 o 78.21788 28.96584 148.4831       143.7296 56.50951       222.4259 214.4210       188.3309 76.72175 33.14880 90.20303 33.20065 -13.48129      46.91616 
1 1 1 2   6   35 o 84.05173 29.36036 190.4904       145.1826 443.7506       231.9605 27.38029       186.1535 119.2979 36.91269 68.81186 30.02247 50.48608       47.58041 
1 1 1 2   6   36 o 102.7069 33.69398 331.5989       191.0176 487.9821       243.7841 82.89207       307.4357 120.2838 37.93671 82.92968 37.24299 37.35407       53.16234 
1 1 1 2   6   37 o 62.67383 27.65928 25.61503       162.1398 256.7650       412.2103 -16.69409      176.3555 93.90958 42.55999 61.14025 27.75995 32.76933       50.81306 
1 1 1 2   6   38 o 62.08329 27.98409 15.07543       175.3911 47.30951       423.3484 8.396375       192.7072 81.12560 38.77233 63.60247 28.93292 17.52313       48.37775 
1 1 1 2   6   39 o 125.0299 29.21572 516.2109       171.4775 516.9725       276.4206 515.7344       218.6306 105.3201 39.92526 114.3846 35.90586 -9.064499      53.69596 
1 1 1 2   7   0  o 370.1533 7.006412 3283.447       123.9897 3194.561       174.7761 3373.505       175.9255 364.4929 10.03918 374.6144 9.831309 -10.12155      14.05133 
1 1 1 2   7   1  f 119.3740 6.978277 342.6575       39.65229 368.5109       67.96692 329.3175       48.82200 123.1864 11.68008 116.8111 8.807117 6.375305       14.62838 
1 1 1 2   7   2  o 264.0074 11.28109 1680.190       142.0605 0.000000       0.000000 1680.190       142.0605 ?        ?        264.0074 11.28109 0.000000       11.28109 
1 1 1 2   7   3  o 324.7384 7.177043 2527.621       111.4263 0.000000       0.000000 2527.621       111.4263 ?        ?        324.7384 7.177043 0.000000       7.177043 
1 1 1 2   7   4  o 74.21432 7.568806 133.4100       26.47939 117.1739       49.37002 139.9667       31.37374 68.26157 15.48489 75.86337 8.814094 -7.601799      17.81769 
1 1 1 2   7   5  o 49.38205 12.11495 61.05767       28.38287 53.53230       44.24312 66.32073       36.99993 48.43882 16.22714 51.66160 14.42880 -3.222786      21.71428 
1 1 1 2   7   6  o 204.8810 10.14299 1011.046       99.04297 974.9200       139.4395 1047.830       140.7049 200.3511 14.65892 207.8334 14.24689 -7.482300      20.44157 
1 1 1 2   7   7  o 445.1120 9.770853 4757.330       207.9267 4826.788       490.7842 4742.136       229.5451 443.1954 23.24384 444.1784 10.80942 -0.9830322     25.63434 
1 1 1 2   7   8  o 256.8573 11.24528 1588.716       137.7581 1479.561       193.6143 1700.630       196.0471 246.8063 16.50349 264.9039 15.54810 -18.09755      22.67396 
1 1 1 2   7   9  o 571.1201 10.29950 7828.090       281.2238 7447.578       747.9818 7890.733       303.4912 549.1530 28.58823 573.2236 11.07423 -24.07062      30.65821 
1 1 1 2   7   10 f 134.6643 10.18612 437.3991       65.09344 483.5428       87.00023 378.7181       98.10988 141.2514 13.02984 124.1805 16.96877 17.07091       21.39430 
1 1 1 2   7   11 o 255.2324 9.795587 1563.633       119.3075 1375.284       185.0522 1697.616       156.0767 238.4352 16.33226 265.6503 12.32265 -27.21510      20.45948 
1 1 1 2   7   12 o 266.1416 11.91850 1702.458       151.2654 1957.653       212.9393 1442.498       214.9176 284.8883 15.69474 243.9328 18.56816 40.95554       24.31258 
1 1 1 2   7   13 o 360.4052 10.41263 3115.367       179.2273 3212.086       346.0644 3079.917       209.5147 364.3630 19.94221 358.1170 12.25523 6.245972       23.40689 
1 1 1 2   7   14 o 334.3781 10.73876 2682.619       171.4498 3019.659       217.2475 2126.075       279.1670 354.5107 12.83911 296.2360 19.82554 58.27463       23.61980 
1 1 1 2   7   15 o 545.5035 19.66242 7188.541       511.9551 7318.435       721.2707 7056.651       726.7885 547.6432 27.63748 537.4344 28.38684 10.20886       39.61872 
1 1 1 2   7   16 o 345.0277 12.89613 2861.560       212.3522 2564.406       261.9632 3431.002       362.6391 325.9373 16.86856 376.3890 20.22681 -50.45172      26.33766 
1 1 1 2   7   17 o 491.7199 12.36961 5807.069       290.5610 5637.677       327.7686 6428.676       627.8835 484.1336 14.17626 513.4828 25.65800 -29.34924      29.31381 
1 1 1 2   7   18 o 149.3300 24.05375 554.9017       165.8944 242.6436       211.3279 1056.324       267.7946 102.9823 35.45218 206.1775 27.88157 -103.1952      45.10254 
1 1 1 2   7   19 o 223.6856 14.91296 1209.758       158.5705 1114.508       227.8005 1299.297       220.8654 213.0356 22.71634 230.7920 20.22107 -17.75639      30.41255 
1 1 1 2   7   20 o 149.4772 16.39925 545.6738       115.2725 466.7808       153.5593 647.5238       174.4767 136.2982 24.46453 161.4230 23.28007 -25.12480      33.77091 
1 1 1 2   7   21 o 342.6555 14.94550 2839.068       244.2478 2986.205       340.6241 2683.345       350.4215 349.7194 20.46203 330.7984 22.28749 18.92096       30.25602 
1 1 1 2   7   22 f 173.0761 18.06813 735.2157       147.3065 742.6779       175.7094 717.5665       270.2242 172.9793 21.72470 165.4418 35.24399 7.537552       41.40170 
1 1 1 2   7   23 o 331.1157 15.04083 2660.321       237.4786 3077.243       331.7130 2221.956       340.1362 354.3478 19.65756 299.0833 23.98870 55.26456       31.01415 
1 1 1 2   7   24 o 282.7084 14.67498 1942.804       197.6675 2191.335       273.5257 1671.129       285.9781 298.5420 19.26680 258.8214 23.36255 39.72058       30.28231 
1 1 1 2   7   25 o 144.6556 18.93582 521.3813       127.8156 584.1410       171.8215 443.6239       191.2529 151.2979 24.59813 129.2413 31.29068 22.05653       39.80170 
1 1 1 2   7   26 o 116.5931 27.76900 357.2784       152.5651 384.2464       269.1982 344.5178       185.1748 120.1075 40.02316 113.7018 32.46156 6.405685       51.53258 
1 1 1 2   7   27 f 350.6364 15.35726 3003.732       256.8174 3816.232       396.5651 2416.837       337.0412 391.5275 21.26557 310.3539 22.87601 81.17361       31.23358 
1 1 1 2   7   28 o 78.77823 29.53265 131.0166       150.3025 63.72386       175.8794 313.2357       289.4194 74.00256 30.57947 111.5633 41.14109 -37.56075      51.26103 
1 1 1 2   7   29 o 118.1140 28.82833 375.1138       161.3391 539.1647       191.1537 -31.21623      300.8380 141.9602 29.14186 83.23943 37.15082 58.72075       47.21685 
1 1 1 2   7   30 o 268.9679 17.75411 1796.947       227.0242 2275.493       296.1437 1114.881       353.5525 300.8081 20.71884 197.9411 38.74783 102.8671       43.93933 
1 1 1 2   7   31 o 181.3016 29.31072 879.2471       245.3954 1091.961       340.4854 649.3235       353.9915 196.1217 37.68220 145.2091 45.70324 50.91257       59.23457 
1 1 1 2   7   32 o 177.4683 24.42026 823.8315       201.7076 1269.841       362.6868 624.1047       242.7045 210.0150 37.49809 147.6105 34.93793 62.40454       51.25198 
1 1 1 2   7   33 o 71.54804 29.45326 78.12676       162.3395 -232.1732      354.1960 160.6457       182.6541 76.31525 36.18562 83.52956 32.25651 -7.214310      48.47558 
1 1 1 2   7   34 o 89.55589 31.48659 218.6952       167.1463 -416.2982      370.0641 381.4367       187.3448 70.47787 34.30377 113.9191 32.69210 -43.44119      47.38694 
1 1 1 2   7   35 o 96.59672 32.52065 274.9720       177.6810 254.8378       380.7629 280.5768       200.8955 100.1714 43.32607 97.26968 34.49056 2.901680       55.37822 
1 1 1 2   7   36 o 114.9899 32.11575 415.7188       183.3069 1585.714       400.2849 105.2508       206.1986 216.1355 40.21748 75.48512 32.25352 140.6504       51.55322 
1 1 1 2   7   37 o 65.98919 31.02191 -76.71481      250.2231 -336.7939      401.6112 88.30312       319.9032 70.05968 34.44034 80.43162 36.85032 -10.37194      50.43890 
1 1 1 2   7   38 o 57.85432 26.69726 -26.00622      172.1434 -78.47748      411.6147 -14.88338      189.5126 74.60630 36.28261 60.77208 28.03226 13.83422       45.85014 
1 1 1 2   8   0  o 253.4061 8.379832 1540.769       101.3825 1483.253       119.3012 1690.266       192.3397 248.4188 10.06590 264.3141 15.28611 -15.89531      18.30266 
1 1 1 2   8   1  o 400.8718 6.843102 3848.508       131.1496 3905.343       406.5717 3841.907       138.5562 400.0751 21.33341 400.4841 7.236563 -0.4090271     22.52737 
1 1 1 2   8   2  o 467.6353 9.393380 5246.063       210.0088 0.000000       0.000000 5246.063       210.0088 ?        ?        467.6353 9.393380 0.000000       9.393380 
1 1 1 2   8   3  o 225.3283 10.47329 1221.627       112.5168 0.000000       0.000000 1221.627       112.5168 ?        ?        225.3283 10.47329 0.000000       10.47329 
1 1 1 2   8   4  o 245.3038 8.998854 1444.889       105.3569 1410.828       182.5563 1461.900       129.0097 241.2411 15.91735 246.4781 10.97555 -5.236954      19.33455 
1 1 1 2   8   5  o 211.1109 7.623014 1069.052       76.81256 1026.952       105.7821 1116.012       111.7196 206.5505 10.74916 215.3248 10.88777 -8.774292      15.29993 
1 1 1 2   8   6  o 259.3846 11.36627 1618.591       140.6095 1628.842       198.2238 1608.209       199.4861 259.3893 16.06317 257.6920 16.27524 1.697327       22.86720 
1 1 1 2   8   7  o 537.0112 10.16376 6916.323       260.9432 6901.017       683.8782 6918.931       282.3015 530.4962 27.05356 536.9619 10.99667 -6.465637      29.20312 
1 1 1 2   8   8  o 492.0435 17.64108 5846.772       414.3179 5693.288       585.2202 6001.007       586.6505 482.8968 25.43848 496.0568 24.81538 -13.16000      35.53758 
1 1 1 2   8   9  o 537.9027 18.99774 6990.545       487.7886 6814.414       688.8695 7167.670       690.8092 528.0728 27.37918 541.8875 26.74760 -13.81470      38.27602 
1 1 1 2   8   10 o 309.3822 9.248373 2294.847       136.6411 2338.562       159.9627 2176.854       262.8040 312.1587 10.73450 299.9888 18.41263 12.16986       21.31325 
1 1 1 2   8   11 o 361.8093 13.98640 3147.967       241.4768 3050.572       339.9319 3247.179       343.0895 355.0289 20.10941 366.4240 19.65657 -11.39505      28.12061 
1 1 1 2   8   12 f 61.49921 15.35301 94.46483       44.99852 146.5071       55.25414 -8.028347      77.54150 76.70355 15.59932 45.44352 19.60313 31.26003       25.05237 
1 1 1 2   8   13 o 141.4619 14.12682 485.3170       94.26516 534.6718       130.1852 430.9200       136.6735 147.7762 18.85566 131.7021 22.51449 16.07416       29.36730 
1 1 1 2   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   8   15 o 394.3942 15.40720 3746.417       289.9522 3568.259       403.8624 3935.936       416.5400 383.3501 22.12989 402.7908 21.71085 -19.44073      31.00150 
1 1 1 2   8   16 o 33.18277 16.14318 -144.3633      81.68021 -141.1790      100.9468 -150.4012      139.0031 39.30709 18.82558 48.86800 23.01917 -9.560913      29.73692 
1 1 1 2   8   17 o 425.0222 16.42619 4358.497       333.1489 4261.098       464.0633 4462.076       478.5583 418.2875 23.29771 428.0062 23.47701 -9.718689      33.07497 
1 1 1 2   8   18 o 256.7930 13.88361 1590.601       169.8150 1373.610       229.9988 1850.650       251.7868 237.2787 20.47499 275.9719 19.20337 -38.69319      28.07124 
1 1 1 2   8   19 o 580.4648 20.83730 8193.407       577.3251 8044.150       813.0355 8345.207       819.9303 570.0355 29.93811 580.8369 29.62451 -10.80139      42.11772 
1 1 1 2   8   20 f 467.3252 17.82166 5299.137       397.4469 5398.019       557.0999 5196.643       567.1854 468.3572 24.97008 458.9892 25.95299 9.368073       36.01476 
1 1 1 2   8   21 o 322.6710 14.93433 2521.381       229.7600 3124.972       320.6972 1884.839       329.3345 357.9904 18.80359 275.4474 25.29070 82.54303       31.51499 
1 1 1 2   8   22 o 470.2891 12.69307 5338.869       285.1298 5520.616       333.3286 4843.186       550.4804 477.4783 14.61916 440.9406 26.23135 36.53766       30.03005 
1 1 1 2   8   23 o 113.7376 24.33647 332.2881       128.3341 358.3934       145.2120 239.1640       274.2645 117.6569 26.45899 105.3039 39.80323 12.35307       47.79514 
1 1 1 2   8   24 f 196.7186 15.33271 946.1943       143.0643 1085.708       194.0165 779.9365       211.7977 209.3809 19.60993 174.7214 26.15873 34.65958       32.69294 
1 1 1 2   8   25 o 176.6167 16.48796 767.5788       137.6130 833.5233       184.8837 685.6606       206.0628 182.3102 21.63310 162.8101 27.44856 19.50006       34.94874 
1 1 1 2   8   26 o 182.8826 16.46619 823.7214       142.4305 867.0915       191.0268 769.4272       213.7351 185.6271 21.94916 172.6611 26.75759 12.96605       34.60830 
1 1 1 2   8   27 o 168.7023 20.67340 715.7858       163.2596 717.5552       190.5489 710.9011       316.5958 167.2752 24.55759 157.6904 41.45510 9.584763       48.18299 
1 1 1 2   8   28 o 128.5504 28.09437 440.0525       167.8303 352.2080       200.0254 648.9769       308.4767 113.4975 34.11422 149.4541 41.63276 -35.95658      53.82440 
1 1 1 2   8   29 o 64.45380 27.42120 23.04327       147.9063 -109.9463      169.2740 452.3093       304.1198 57.04465 26.37683 125.3772 42.54509 -68.33257      50.05818 
1 1 1 2   8   30 o 287.9801 16.91137 2053.678       231.8109 2431.302       309.8932 1573.930       349.2920 310.5718 20.99430 242.4416 30.83158 68.13023       37.30076 
1 1 1 2   8   31 o 62.69904 27.55845 -12.12814      159.4456 -77.06877      183.9992 183.6525       319.4792 61.87132 28.19434 98.93778 41.07838 -37.06646      49.82323 
1 1 1 2   8   32 o 217.3841 20.32734 1207.588       208.8100 1370.340       257.2021 892.9164       357.6350 228.9889 23.84248 167.3039 44.09719 61.68492       50.13009 
1 1 1 2   8   33 o 151.7160 25.47738 621.1785       178.2531 757.7111       212.4479 296.4609       327.6326 166.2215 27.70843 104.6521 42.30593 61.56944       50.57222 
1 1 1 2   8   34 o 142.4971 28.22422 569.6103       185.4781 972.0234       347.5315 409.3358       219.3261 172.1387 42.48947 115.3948 35.92421 56.74390       55.64085 
1 1 1 2   8   35 o 62.28236 27.78621 -3.238314      168.1111 289.6632       345.2632 -94.25761      192.4670 98.89394 41.97765 59.43874 27.70247 39.45520       50.29464 
1 1 1 2   8   36 o 55.57974 25.83038 -70.48557      165.4736 -63.55309      350.9573 -72.46723      187.6395 76.22904 36.10802 58.87522 27.41065 17.35382       45.33358 
1 1 1 2   8   37 o 98.63766 33.25630 333.2786       185.8090 373.2145       374.8109 320.2661       213.9497 96.27557 42.28673 95.14442 35.32044 1.131157       55.09720 
1 1 1 2   8   38 f 50.55800 24.45162 -158.9265      180.3184 -75.32737      377.4252 -183.6520      205.2593 71.29208 34.68723 52.85822 25.68670 18.43386       43.16260 
1 1 1 2   9   0  o 270.0294 8.422067 1747.690       108.5942 1731.427       126.9654 1792.007       209.5912 268.6310 9.902957 272.4693 16.16229 -3.838257      18.95490 
1 1 1 2   9   1  o 302.2681 7.643219 2188.627       110.3643 2127.978       246.8143 2203.784       123.3870 296.7321 17.47530 303.2370 8.519406 -6.504974      19.44135 
1 1 1 2   9   2  o 130.2543 9.208985 408.4561       56.97751 0.000000       0.000000 408.4561       56.97751 ?        ?        130.2543 9.208985 0.000000       9.208985 
1 1 1 2   9   3  o 125.5856 8.841900 379.6235       52.74836 0.000000       0.000000 379.6235       52.74836 ?        ?        125.5856 8.841900 0.000000       8.841900 
1 1 1 2   9   4  f 275.0102 8.432593 1812.831       110.7401 0.000000       0.000000 1812.831       110.7401 ?        ?        275.0102 8.432593 0.000000       8.432593 
1 1 1 2   9   5  o 434.2916 8.674219 4516.907       180.1027 4329.412       447.0510 4553.233       196.7780 422.4658 22.21189 435.9603 9.441072 -13.49451      24.13508 
1 1 1 2   9   6  o 374.5692 14.40415 3375.348       257.4649 3608.899       363.6068 3140.498       364.6160 386.2656 19.75525 359.9109 21.28511 26.35461       29.04007 
1 1 1 2   9   7  o 627.7382 21.76863 9534.337       652.3194 9439.182       921.9274 9629.735       923.1116 620.6971 31.16739 627.0818 30.88588 -6.384705      43.87874 
1 1 1 2   9   8  o 105.1699 9.977224 267.3623       49.56603 292.7140       67.60905 237.9025       72.88140 109.6668 13.15739 98.22091 16.07609 11.44592       20.77396 
1 1 1 2   9   9  f 474.0133 9.729437 5382.541       220.4888 5493.650       242.5408 4853.527       529.2281 478.7857 10.59584 446.8237 24.87228 31.96198       27.03520 
1 1 1 2   9   10 o 235.2786 11.15487 1329.971       125.1171 1337.028       174.4383 1322.493       179.5573 235.3397 15.59171 233.9676 16.15148 1.372101       22.44931 
1 1 1 2   9   11 o 386.3491 11.50799 3582.320       212.3262 3889.018       404.0195 3465.293       249.5688 400.7111 21.16437 379.6530 13.77258 21.05807       25.25103 
1 1 1 2   9   12 o 414.7400 10.99509 4126.698       217.8210 4290.177       253.9665 3671.857       423.6192 422.6463 12.58273 388.8177 22.89005 33.82864       26.12048 
1 1 1 2   9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   9   14 o 313.8764 13.89092 2371.566       207.9319 2477.723       290.2084 2259.581       298.0694 319.8684 19.06359 305.0865 20.55552 14.78195       28.03480 
1 1 1 2   9   15 o 596.1712 21.07808 8612.251       599.8276 8412.940       845.6688 8814.046       850.9243 585.0183 30.33953 599.1235 29.80105 -14.10516      42.52752 
1 1 1 2   9   16 o 252.9617 13.54671 1542.422       163.2338 1366.580       224.2091 1740.749       238.1127 236.8674 19.98511 267.8119 18.71484 -30.94456      27.37974 
1 1 1 2   9   17 o 396.4398 12.35098 3779.668       233.8067 3900.974       281.2652 3508.390       420.6123 402.2685 14.64932 378.9964 23.32641 23.27206       27.54494 
1 1 1 2   9   18 o 465.4428 14.35946 5224.353       319.1486 6283.182       605.8491 4817.683       375.4679 506.0217 25.12158 445.9408 17.64597 60.08084       30.69974 
1 1 1 2   9   19 o 321.5289 14.99217 2500.900       229.8241 3077.581       316.7662 1859.935       333.9553 355.6221 18.69692 273.8564 25.81129 81.76566       31.87158 
1 1 1 2   9   20 o 205.4377 14.49096 1024.336       141.4133 1013.103       185.3617 1039.978       218.7330 203.1202 19.32029 204.8042 22.72102 -1.683929      29.82479 
1 1 1 2   9   21 o 324.1369 15.09292 2549.303       233.2470 2902.398       330.7048 2199.789       329.0239 343.9311 20.20120 297.9762 23.28071 45.95490       30.82337 
1 1 1 2   9   22 o 182.4967 18.60357 821.7349       160.0480 901.7897       253.4031 768.6068       206.4339 187.2576 29.26199 174.0676 25.56729 13.18994       38.85808 
1 1 1 2   9   23 o 312.6190 15.42323 2381.781       229.8033 2893.204       325.7368 1875.016       324.2503 342.4605 19.98199 272.9161 25.13302 69.54434       32.10839 
1 1 1 2   9   24 o 229.3999 14.95487 1284.882       163.1211 1510.896       222.8156 1023.842       239.4585 247.3066 18.99054 200.5823 25.54973 46.72427       31.83441 
1 1 1 2   9   25 o 390.7581 13.60971 3710.189       253.8643 4253.967       324.4906 2852.235       407.5900 416.9904 16.30820 335.6358 25.59378 81.35461       30.34796 
1 1 1 2   9   26 o 208.0752 15.95995 1064.364       157.5550 1203.262       216.9923 909.4832       229.1363 219.1943 20.96155 187.8789 26.22328 31.31535       33.57153 
1 1 1 2   9   27 o 78.04997 32.62960 65.64195       203.6024 -59.19714      269.1110 232.7589       311.3626 77.53883 34.83138 104.6854 41.60751 -27.14659      54.26242 
1 1 1 2   9   28 o 48.17759 22.82685 -149.2775      140.4437 -196.5590      156.4219 47.33386       318.9747 48.87491 23.41496 90.19527 39.32674 -41.32036      45.76956 
1 1 1 2   9   29 o 276.1819 15.64423 1879.978       205.7209 2062.292       281.9893 1672.549       300.7860 286.0943 20.75770 254.5581 25.03881 31.53615       32.52420 
1 1 1 2   9   30 o 103.3969 30.65356 292.0890       162.3608 394.0458       297.1341 248.6885       193.8614 117.7471 41.92624 97.39195 33.93343 20.35517       53.93781 
1 1 1 2   9   31 o 142.1206 22.39454 526.2411       147.1315 520.9487       205.5784 531.7986       210.6655 135.8777 32.15091 137.0217 32.62862 -1.143982      45.80729 
1 1 1 2   9   32 o 72.25044 27.04841 119.0027       125.9897 57.41807       180.4350 177.5974       176.0005 71.66904 30.38063 84.93504 31.93307 -13.26601      44.07611 
1 1 1 2   9   33 o 47.95021 22.34898 -90.18792      125.2876 -95.14611      181.8727 -85.71003      172.8392 58.85080 27.25707 57.90342 26.73105 0.9473801      38.17718 
1 1 1 2   9   34 o 49.93002 23.26567 -88.98220      135.6348 -200.9351      189.5521 28.48486       194.1642 53.40687 25.63603 69.28706 30.43406 -15.88018      39.79244 
1 1 1 2   9   35 o 82.95387 29.21598 200.1819       143.9535 -106.0068      196.9783 551.1656       210.8955 58.65414 27.55811 131.4433 33.47437 -72.78918      43.35877 
1 1 1 2   9   36 o 74.10725 33.13505 76.15103       240.4659 94.92041       337.1605 56.71947       343.0564 81.39068 37.48791 79.82661 37.13054 1.564072       52.76381 
1 1 1 2   9   37 o 86.80804 36.12628 273.1028       247.9165 480.5832       350.1193 64.46288       351.0963 99.99722 42.35138 76.89119 36.33010 23.10603       55.79889 
1 1 1 2   9   38 o 82.02869 32.40485 249.8418       187.7899 152.2135       368.7204 284.0346       218.2112 76.98063 36.62138 84.57604 34.40287 -7.595413      50.24622 
1 1 1 2   10  0  o 191.4516 7.114381 878.3437       65.00526 874.7402       90.88480 882.1180       93.01485 190.8293 9.996658 191.6165 10.19003 -0.7872009     14.27480 
1 1 1 2   10  1  o 215.3663 6.366078 1110.683       65.47584 1099.773       101.6606 1118.417       85.59240 214.0341 9.962181 215.9841 8.304526 -1.949982      12.96959 
1 1 1 2   10  2  o 264.0190 8.425152 1670.528       106.2099 0.000000       0.000000 1670.528       106.2099 ?        ?        264.0190 8.425152 0.000000       8.425152 
1 1 1 2   10  3  o 391.6809 9.072655 3673.836       169.8929 0.000000       0.000000 3673.836       169.8929 ?        ?        391.6809 9.072655 0.000000       9.072655 
1 1 1 2   10  4  o 580.6470 9.946939 8076.882       276.1277 0.000000       0.000000 8076.882       276.1277 ?        ?        580.6470 9.946939 0.000000       9.946939 
1 1 1 2   10  5  o 361.2873 8.920759 3125.707       154.0859 0.000000       0.000000 3125.707       154.0859 ?        ?        361.2873 8.920759 0.000000       8.920759 
1 1 1 2   10  6  o 578.6813 7.381226 8014.694       204.2097 7917.968       303.7243 8094.495       275.8727 574.7437 11.05343 581.2687 9.927126 -6.524963      14.85685 
1 1 1 2   10  7  o 609.9517 10.45226 8915.551       304.7994 8924.284       325.6034 8853.685       866.6028 610.1441 11.16216 601.6511 30.22457 8.493042       32.21985 
1 1 1 2   10  8  o 605.8795 11.04696 8799.986       319.9908 9675.259       898.1393 8672.728       342.4638 628.9998 29.95259 601.3441 11.91196 27.65570       32.23434 
1 1 1 2   10  9  f 211.3388 12.07190 1074.834       121.4655 1113.128       170.0722 1034.964       173.5364 214.4395 16.72109 206.5594 17.74444 7.880096       24.38155 
1 1 1 2   10  10 o 399.9850 15.12524 3851.304       288.7161 3653.029       404.6516 4056.908       412.0617 388.0448 21.90067 409.1971 21.13467 -21.15228      30.43540 
1 1 1 2   10  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   10  12 o 836.5944 28.48076 17108.36       1137.473 16514.48       1606.945 17704.72       1610.320 811.9103 41.53654 842.0095 40.11786 -30.09918      57.74709 
1 1 1 2   10  13 o 610.1870 11.83295 8935.094       345.1948 8318.988       842.1978 9059.496       378.4441 581.7397 30.38682 614.1973 12.88800 -32.45764      33.00696 
1 1 1 2   10  14 o 342.3358 14.21944 2823.040       232.2185 2543.915       325.6117 3111.959       331.2746 323.4096 21.17552 358.3017 19.41135 -34.89215      28.72635 
1 1 1 2   10  15 o 328.2518 12.48674 2592.330       195.6014 2512.810       245.4431 2730.733       323.8060 322.5106 15.96802 335.1747 20.30236 -12.66418      25.82951 
1 1 1 2   10  16 o 96.23168 21.59976 233.7554       96.93021 372.1272       126.8240 39.39270       150.3088 121.7946 22.61265 68.65929 28.31031 53.13528       36.23266 
1 1 1 2   10  17 o 293.4469 14.08179 2079.914       196.9820 2153.331       271.5764 1998.409       286.1433 297.2894 19.21036 285.7932 21.09084 11.49622       28.52826 
1 1 1 2   10  18 o 142.0369 26.48240 512.4533       173.2180 625.9081       229.2971 361.6448       264.3626 155.6461 31.88737 120.1324 39.64960 35.51370       50.88118 
1 1 1 2   10  19 o 270.1315 14.38939 1767.928       185.1638 2069.386       259.4166 1454.834       264.3761 291.0095 18.74556 242.3565 23.09596 48.65300       29.74592 
1 1 1 2   10  20 f 387.4861 16.01964 3649.283       296.1281 3814.355       409.2102 3467.799       429.0721 393.4152 21.84213 373.8228 24.13702 19.59244       32.55265 
1 1 1 2   10  21 o 335.5192 15.28766 2738.015       244.5818 3135.695       346.6092 2343.614       345.1771 356.7620 20.40650 306.6363 23.73015 50.12570       31.29769 
1 1 1 2   10  22 o 87.09220 28.55939 187.7101       137.2417 227.7493       216.3476 160.7483       177.5349 98.75768 35.70107 86.65150 32.17323 12.10618       48.05916 
1 1 1 2   10  23 o 331.1885 15.23195 2674.762       240.5331 2831.522       334.5098 2506.934       346.1174 337.9304 20.80578 316.6249 23.02222 21.30542       31.03068 
1 1 1 2   10  24 o 82.77278 25.67721 173.5976       112.1602 172.2764       144.5683 175.5953       177.7656 84.75291 29.31606 88.21854 32.29140 -3.465637      43.61382 
1 1 1 2   10  25 o 117.0159 23.18672 353.6212       125.1285 323.6549       165.8864 393.1779       190.5915 110.0024 30.48791 120.5211 32.38753 -10.51871      44.47994 
1 1 1 2   10  26 o 432.0658 14.83911 4564.083       306.0702 4496.827       499.1606 4604.606       387.4545 420.4491 24.94450 431.0607 18.84625 -10.61157      31.26355 
1 1 1 2   10  27 o 271.2036 15.57866 1809.622       201.1420 2202.301       281.4410 1399.644       287.5736 296.6393 19.96117 232.2848 26.36083 64.35446       33.06572 
1 1 1 2   10  28 o 338.3473 16.11845 2823.951       259.9822 3220.685       364.8343 2414.637       370.5736 357.1872 21.46345 305.7072 25.58939 51.48001       33.39905 
1 1 1 2   10  29 o 153.0524 26.06163 617.9711       183.8724 313.5288       313.5907 777.4767       226.9858 110.2295 42.34410 170.3479 28.90307 -60.11839      51.26803 
1 1 1 2   10  30 o 97.25253 29.17441 258.1618       146.3972 445.0338       199.5123 40.17572       215.4825 125.2971 32.89399 75.84467 32.69774 49.45247       46.38057 
1 1 1 2   10  31 o 199.9547 19.11415 1018.524       180.5023 1097.226       249.7526 932.4625       261.1676 202.1697 26.47513 182.6033 31.02483 19.56644       40.78569 
1 1 1 2   10  32 o 215.3129 19.17582 1187.844       195.3301 1384.702       336.3578 1087.675       239.9330 219.2093 33.12722 200.9398 25.55274 18.26950       41.83724 
1 1 1 2   10  33 o 226.0180 16.81741 1295.205       180.4210 1475.877       260.0387 1127.499       250.5342 235.2502 23.43190 202.5752 26.50358 32.67500       35.37645 
1 1 1 2   10  34 o 131.9561 24.53716 487.1548       149.1008 582.5991       218.4952 403.9758       203.9737 135.9299 33.77169 111.7108 34.62258 24.21909       48.36580 
1 1 1 2   10  35 o 115.5769 27.43708 400.8619       149.3259 593.4734       219.7948 235.7471       203.5023 133.8643 34.21739 87.03001 33.92566 46.83424       48.18485 
1 1 1 2   10  36 o 51.36437 24.00295 -69.37505      146.0556 -219.7016      210.9761 68.97633       202.3984 53.31036 25.93727 69.06625 30.67004 -15.75589      40.16706 
1 1 1 2   10  37 o 103.4058 34.28807 413.3420       197.6322 535.8428       360.9019 360.8734       236.1942 98.55109 42.39974 92.72259 36.42997 5.828506       55.90063 
1 1 1 2   11  0  o 534.0635 27.10695 6951.270       689.8572 0.000000       0.000000 6951.270       689.8572 ?        ?        534.0635 27.10695 0.000000       27.10695 
1 1 1 2   11  1  o 262.5497 7.067937 1650.892       88.63749 1534.115       194.5653 1681.475       99.57013 252.0491 16.23256 264.9130 7.870447 -12.86383      18.03996 
1 1 1 2   11  2  o 687.2786 23.69903 11452.13       777.5375 0.000000       0.000000 11452.13       777.5375 ?        ?        687.2786 23.69903 0.000000       23.69903 
1 1 1 2   11  3  f 172.1352 9.957385 712.3052       81.59544 0.000000       0.000000 712.3052       81.59544 ?        ?        172.1352 9.957385 0.000000       9.957385 
1 1 1 2   11  4  o 423.2950 9.309340 4291.959       188.3955 0.000000       0.000000 4291.959       188.3955 ?        ?        423.2950 9.309340 0.000000       9.309340 
1 1 1 2   11  5  o 133.2219 10.97099 428.3386       69.25757 0.000000       0.000000 428.3386       69.25757 ?        ?        133.2219 10.97099 0.000000       10.97099 
1 1 1 2   11  6  o 126.2594 18.13919 391.7685       106.3545 0.000000       0.000000 391.7685       106.3545 ?        ?        126.2594 18.13919 0.000000       18.13919 
1 1 1 2   11  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   11  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   11  9  o 432.1828 10.25651 4477.353       211.9216 4599.371       238.7636 4024.362       460.0439 437.7394 11.41866 406.6144 23.76873 31.12503       26.36927 
1 1 1 2   11  10 o 371.5481 14.73874 3324.816       261.2891 3305.783       367.5064 3344.271       371.5642 369.0893 20.91248 371.2092 21.02256 -2.119904      29.65265 
1 1 1 2   11  11 o 341.2976 13.99101 2804.824       227.8079 2473.513       319.0465 3149.430       325.3851 318.9789 21.03853 360.6324 18.93867 -41.65347      28.30712 
1 1 1 2   11  12 o 722.8418 11.77286 12543.07       406.8495 10885.33       1096.682 12807.63       438.1132 661.8527 34.78067 730.2150 12.54952 -68.36230      36.97548 
1 1 1 2   11  13 o 305.9522 13.14560 2254.508       191.8350 2076.405       263.6902 2454.750       279.5996 292.3943 18.96559 318.1435 18.46184 -25.74921      26.46758 
1 1 1 2   11  14 o 359.7496 11.97457 3113.354       205.6663 3155.373       251.5983 3028.730       357.0504 361.6234 14.58258 352.4250 21.29044 9.198364       25.80571 
1 1 1 2   11  15 o 114.7941 17.45925 325.8908       92.80407 223.5373       126.5172 445.1132       136.5453 94.09762 26.82138 133.4470 22.18057 -39.34940      34.80466 
1 1 1 2   11  16 o 155.8625 15.10982 592.0273       111.1817 702.1087       148.4337 451.3254       167.8130 169.0743 18.67391 132.9255 27.32020 36.14885       33.09241 
1 1 1 2   11  17 o 470.5433 18.01032 5386.322       404.4145 5847.560       567.3845 4910.007       576.5834 486.7791 24.45856 444.2476 27.27897 42.53146       36.63828 
1 1 1 2   11  18 o 441.7336 12.12177 4706.238       255.7550 4955.126       299.9368 4043.143       489.5705 452.6516 13.87620 403.2581 25.52455 49.39355       29.05256 
1 1 1 2   11  19 o 503.5057 10.62658 6102.995       255.8033 6820.632       343.6251 5210.970       383.1079 530.9569 13.54790 462.2498 17.36637 68.70715       22.02581 
1 1 1 2   11  20 o 159.5668 16.85189 627.0452       126.6184 670.6204       166.3202 566.9766       195.2760 163.5278 21.81769 147.6886 28.69048 15.83917       36.04380 
1 1 1 2   11  21 o 544.2617 20.36108 7310.438       528.8719 7593.822       742.5770 7018.721       753.4166 546.5852 28.51542 523.5110 30.23096 23.07416       41.55767 
1 1 1 2   11  22 o 80.18642 29.46777 139.2149       148.2672 225.7986       247.7486 90.90096       185.0671 100.6083 37.87377 78.84098 31.82304 21.76729       49.46846 
1 1 1 2   11  23 o 456.4699 12.82718 5054.038       279.6539 5677.531       334.5884 3608.969       509.3770 482.8575 14.51031 374.8890 28.63701 107.9685       32.10339 
1 1 1 2   11  24 o 195.6724 15.84772 941.8330       146.9857 1108.586       188.9827 686.4995       233.8507 211.1738 18.91885 160.1079 31.67259 51.06595       36.89276 
1 1 1 2   11  25 o 85.50919 28.12900 184.9915       133.0941 194.4976       146.4947 140.0471       318.5366 87.88458 29.52869 97.52549 40.79531 -9.640907      50.36071 
1 1 1 2   11  26 f 99.32278 30.21733 264.1333       156.2692 165.4855       251.5641 326.1176       199.4095 92.75751 37.22029 109.1675 34.29443 -16.41003      50.61085 
1 1 1 2   11  27 o 59.34344 24.97171 25.54296       120.4538 32.07468       155.8652 15.85765       189.7984 66.68371 28.25057 70.69713 30.58355 -4.013420      41.63470 
1 1 1 2   11  28 o 267.7300 15.68171 1769.400       199.8449 1710.407       270.0860 1840.777       297.0864 259.3119 21.99294 268.0083 23.42111 -8.696411      32.12845 
1 1 1 2   11  29 o 146.8011 24.76860 568.6506       167.6560 656.4363       191.3679 278.8010       347.7311 156.9777 26.43740 107.4576 43.53210 49.52007       50.93113 
1 1 1 2   11  30 o 85.75479 35.44495 136.9384       236.3833 -165.1256      315.8629 521.4807       356.3864 74.80168 35.06607 126.3418 45.80055 -51.54007      57.68292 
1 1 1 2   11  31 o 59.05674 26.18775 -14.00951      147.0385 -70.76092      178.4346 106.0645       259.5465 60.04992 27.51572 84.21337 36.08913 -24.16345      45.38216 
1 1 1 2   11  32 o 58.22987 25.77102 -8.580775      141.7195 5.257328       185.3547 -28.05467      219.8830 66.60194 29.47462 68.91304 31.17235 -2.311104      42.90069 
1 1 1 2   11  33 o 75.05142 30.04524 129.4730       163.5264 -188.4961      325.5031 236.8158       189.1251 71.10061 33.98564 89.74961 33.22848 -18.64900      47.53057 
1 1 1 2   11  34 o 102.1676 28.28753 318.3618       142.8863 221.3578       202.3874 414.7629       201.7575 85.69901 33.70654 110.9592 34.44129 -25.26015      48.19059 
1 1 1 2   11  35 o 59.25877 25.94577 31.97445       140.1043 61.89844       200.4763 3.407281       195.8785 68.84222 30.54987 63.96122 29.12484 4.881001       42.20842 
1 1 1 2   11  36 o 62.06125 26.78793 69.95190       144.9708 -27.56715      206.3528 164.9909       203.7120 60.97743 28.50677 75.02751 32.05823 -14.05008      42.89949 
1 1 1 2   12  0  o 514.5616 9.038264 6343.109       222.3467 6475.809       258.3829 5964.411       436.4906 519.7325 10.39861 496.9301 18.40443 22.80240       21.13892 
1 1 1 2   12  1  o 353.8969 8.413196 2999.512       142.3463 3194.904       330.6159 2955.050       157.7126 363.3363 19.10005 351.0566 9.405294 12.27969       21.29018 
1 1 1 2   12  2  o 295.6478 10.82795 2098.747       152.7900 0.000000       0.000000 2098.747       152.7900 ?        ?        295.6478 10.82795 0.000000       10.82795 
1 1 1 2   12  3  o 270.8694 9.046077 1759.672       116.9820 0.000000       0.000000 1759.672       116.9820 ?        ?        270.8694 9.046077 0.000000       9.046077 
1 1 1 2   12  4  o 473.7466 17.00602 5413.905       384.5494 0.000000       0.000000 5413.905       384.5494 ?        ?        473.7466 17.00602 0.000000       17.00602 
1 1 1 2   12  5  o 328.4957 9.128480 2587.424       143.2238 0.000000       0.000000 2587.424       143.2238 ?        ?        328.4957 9.128480 0.000000       9.128480 
1 1 1 2   12  6  o 273.9748 12.08870 1805.169       157.9530 0.000000       0.000000 1805.169       157.9530 ?        ?        273.9748 12.08870 0.000000       12.08870 
1 1 1 2   12  7  o 352.4093 8.347328 2974.760       140.6382 0.000000       0.000000 2974.760       140.6382 ?        ?        352.4093 8.347328 0.000000       8.347328 
1 1 1 2   12  8  o 496.4953 9.107885 5907.369       216.1927 5497.224       586.9321 5971.751       232.5429 474.0723 25.99563 499.1033 9.745503 -25.03101      27.76234 
1 1 1 2   12  9  o 468.2421 17.52286 5299.284       391.5769 5472.427       547.9741 5118.612       559.7607 473.4670 24.28935 457.2939 25.70696 16.17316       35.36694 
1 1 1 2   12  10 o 749.9981 25.30975 13751.85       906.2202 12677.65       1278.887 14835.18       1284.307 710.4418 37.78857 771.3545 34.91678 -60.91266      51.45053 
1 1 1 2   12  11 o 329.2855 13.84554 2614.551       217.4807 2508.248       303.6883 2726.459       311.5923 321.0319 19.88421 334.8516 19.54874 -13.81970      27.88432 
1 1 1 2   12  12 o 198.2097 12.69257 948.9172       119.6451 733.7806       163.6747 1195.795       175.3336 172.6964 20.20545 221.8420 16.65308 -49.14561      26.18368 
1 1 1 2   12  13 o 444.3771 12.31485 4754.732       261.3788 4803.146       497.3979 4736.263       307.2159 442.4105 23.60177 442.8875 14.52881 -0.4770203     27.71516 
1 1 1 2   12  14 o 540.0903 12.43620 7023.231       321.1165 7303.188       717.7150 6953.163       359.0595 542.4194 27.76874 536.6961 14.00558 5.723267       31.10079 
1 1 1 2   12  15 o 201.1424 13.52251 980.3970       129.2821 942.5709       156.8607 1060.512       228.2838 196.4655 16.86308 206.5200 23.54073 -10.05450      28.95737 
1 1 1 2   12  16 o 50.29031 21.73632 -7.853140      95.70263 13.88326       107.4900 -90.97374      210.1981 56.05151 23.58827 67.63369 30.54686 -11.58218      38.59426 
1 1 1 2   12  17 o 409.9167 12.53542 4059.299       245.3762 4975.428       478.4430 3732.327       285.8297 448.8438 22.36645 392.0424 15.27912 56.80148       27.08707 
1 1 1 2   12  18 o 292.0118 13.29924 2066.855       185.1800 2253.720       243.9702 1812.874       284.4289 303.6992 16.86920 270.0904 22.22347 33.60886       27.90076 
1 1 1 2   12  19 o 135.7870 17.84329 458.1179       113.0352 649.1071       145.5391 167.7716       179.4458 161.5782 19.21633 87.78185 32.39086 73.79633       37.66212 
1 1 1 2   12  20 o 272.3351 15.55810 1811.570       201.7241 2107.795       261.4706 1375.996       317.0609 292.4236 18.80224 230.8723 29.39049 61.55139       34.89019 
1 1 1 2   12  21 o 187.9016 15.77886 866.7148       140.4391 1035.475       183.8293 630.1494       217.6481 204.3354 19.03654 154.3840 30.56984 49.95142       36.01257 
1 1 1 2   12  22 o 115.1485 23.24881 342.4327       123.5729 245.9708       157.6735 496.0190       198.9561 97.23705 30.48782 135.9647 31.26119 -38.72765      43.66657 
1 1 1 2   12  23 o 52.37263 23.31227 -33.98762      117.6419 -124.6178      147.9116 122.0525       194.0815 51.78011 24.18335 82.93798 32.88644 -31.15787      40.82098 
1 1 1 2   12  24 o 100.4106 35.17654 258.2908       208.4926 394.8783       264.7479 35.26945       338.2987 119.2167 39.69005 91.89854 40.27483 27.31820       56.54522 
1 1 1 2   12  25 o 235.4691 16.10674 1369.083       180.2299 1543.848       240.6653 1145.911       271.9616 247.7251 20.50403 208.7769 27.94827 38.94817       34.66296 
1 1 1 2   12  26 o 222.6202 16.78410 1229.636       177.3211 1621.390       241.2087 768.9667       261.5663 253.9081 20.03265 166.3526 34.03664 87.55548       39.49430 
1 1 1 2   12  27 o 247.8166 20.01977 1547.906       235.1733 1271.273       304.3731 1957.681       370.4482 217.6167 30.05714 271.5903 28.97729 -53.97365      41.75063 
1 1 1 2   12  28 o 142.4973 20.98471 523.1795       138.6853 615.3163       178.7294 383.7585       219.8586 152.3540 25.43369 115.3529 35.97663 37.00109       44.05895 
1 1 1 2   12  29 o 115.5307 26.37139 365.6174       142.4415 334.6044       183.8865 412.1429       225.2283 107.7723 32.77706 117.4533 36.37834 -9.680992      48.96651 
1 1 1 2   12  30 o 65.12699 26.93888 59.78651       136.6804 28.78887       175.7285 107.2564       217.4638 67.76347 29.37103 80.21799 33.64166 -12.45451      44.65892 
1 1 1 2   12  31 o 61.69546 27.91261 -38.40704      176.3958 -52.59063      300.7948 -30.97250      217.7731 76.99847 35.44447 68.42491 30.98001 8.573563       47.07516 
1 1 1 2   12  32 o 62.16436 26.62029 39.72440       141.0237 -114.8208      182.8549 266.5838       221.5427 56.55376 26.56513 93.98886 35.71667 -37.43510      44.51277 
1 1 1 2   12  33 o 72.41223 28.70067 130.3358       147.7618 133.0519       190.3374 126.2161       234.4142 75.84533 31.61631 78.30542 33.93154 -2.460091      46.37823 
1 1 1 2   12  34 o 128.9996 38.28059 618.0807       253.1099 468.7200       340.4311 802.7031       378.4889 104.0461 42.72228 129.2404 47.14789 -25.19433      63.62482 
1 1 1 2   12  35 o 70.92211 29.96564 131.3606       174.5872 308.5257       201.2078 -408.4405      351.2146 90.75654 34.13873 60.79015 30.28713 29.96639       45.63730 
1 1 1 2   12  36 o 63.45745 28.63939 62.95383       184.3676 36.82261       212.5350 142.4046       370.5951 63.80937 29.52271 75.64650 36.18694 -11.83713      46.70208 
1 1 1 2   13  0  o 349.1780 7.120493 2919.784       118.8681 2857.748       174.1556 2973.891       162.6440 344.9165 10.57373 352.0004 9.673828 -7.083893      14.33132 
1 1 1 2   13  1  o 296.3351 9.179193 2107.331       129.8889 0.000000       0.000000 2107.331       129.8889 ?        ?        296.3351 9.179193 0.000000       9.179193 
1 1 1 2   13  2  o 166.5882 10.49199 668.5317       83.13792 0.000000       0.000000 668.5317       83.13792 ?        ?        166.5882 10.49199 0.000000       10.49199 
1 1 1 2   13  3  o 563.7665 10.56950 7627.230       284.8799 0.000000       0.000000 7627.230       284.8799 ?        ?        563.7665 10.56950 0.000000       10.56950 
1 1 1 2   13  4  o 126.0716 10.82690 384.2834       64.62603 0.000000       0.000000 384.2834       64.62603 ?        ?        126.0716 10.82690 0.000000       10.82690 
1 1 1 2   13  5  o 153.3204 11.75646 567.9881       85.51832 0.000000       0.000000 567.9881       85.51832 ?        ?        153.3204 11.75646 0.000000       11.75646 
1 1 1 2   13  6  o 242.3554 11.38436 1413.877       131.5389 0.000000       0.000000 1413.877       131.5389 ?        ?        242.3554 11.38436 0.000000       11.38436 
1 1 1 2   13  7  f 188.3350 10.95057 854.6523       98.17451 0.000000       0.000000 854.6523       98.17451 ?        ?        188.3350 10.95057 0.000000       10.95057 
1 1 1 2   13  8  o 484.3433 6.721236 5617.896       155.6363 5274.595       254.3594 5823.341       196.7703 468.5238 11.35554 492.8770 8.350502 -24.35318      14.09536 
1 1 1 2   13  9  o 78.53321 13.83599 152.9111       50.05127 162.6953       76.90533 145.7217       65.92330 80.26881 20.08965 76.04324 18.34584 4.225578       27.20596 
1 1 1 2   13  10 o 429.6857 16.02243 4469.951       328.5688 4277.687       460.1208 4670.005       469.3496 417.4731 23.14398 436.5258 22.56601 -19.05280      32.32443 
1 1 1 2   13  11 o 129.1438 13.13643 405.9733       79.97950 403.5445       101.1247 410.0302       130.6970 127.9980 16.94071 127.7719 22.20073 0.2261047      27.92597 
1 1 1 2   13  12 o 158.7657 14.66884 614.0922       110.0840 661.9984       159.5718 570.5878       152.0639 163.3846 20.90694 151.3059 21.63670 12.07867       30.08732 
1 1 1 2   13  13 o 173.4994 12.98558 730.1093       106.9314 762.5499       141.3747 686.7374       163.4675 176.4547 16.96720 166.2847 21.03193 10.17004       27.02273 
1 1 1 2   13  14 o 370.0276 12.65561 3307.591       223.5558 3341.942       371.8384 3288.146       279.7646 368.5040 21.19530 367.8102 15.94754 0.6938171      26.52480 
1 1 1 2   13  15 o 222.7581 12.43231 1201.427       131.8764 1277.917       173.8792 1097.845       202.3432 228.8282 15.99458 210.6498 20.34468 18.17841       25.87919 
1 1 1 2   13  16 o 358.6819 14.87521 3127.095       254.5290 3250.435       352.6577 2992.986       367.7321 363.0853 20.39794 347.3556 22.26081 15.72971       30.19303 
1 1 1 2   13  17 o 126.3762 20.00150 401.6024       116.8289 386.8290       180.5658 412.2403       153.2229 120.7756 31.08854 126.0875 26.27172 -5.311874      40.70258 
1 1 1 2   13  18 o 405.3795 16.49137 4016.193       318.9477 4310.775       443.8133 3701.552       458.6739 416.2187 22.38573 383.6299 25.14688 32.58878       33.66729 
1 1 1 2   13  19 o 357.9685 14.67295 3120.848       250.5816 3394.959       373.8903 2897.328       337.6293 369.6976 21.24328 341.7343 20.76335 27.96335       29.70511 
1 1 1 2   13  20 o 179.3556 15.51828 790.2693       131.7582 832.5146       169.4429 725.6575       209.5511 182.6545 19.71571 167.3091 27.12569 15.34534       33.53376 
1 1 1 2   13  21 o 133.3578 19.64766 448.2865       121.5178 359.6928       153.0239 599.5309       199.9391 116.4860 27.85449 150.7610 28.78924 -34.27502      40.05862 
1 1 1 2   13  22 o 232.9270 15.08595 1331.080       167.0931 1296.740       218.0954 1379.883       260.0002 227.5758 20.25675 232.9314 23.67598 -5.355560      31.15908 
1 1 1 2   13  23 o 201.6040 16.32266 1005.047       155.9809 1247.553       202.7838 653.6611       244.0974 223.3952 19.17199 153.7280 34.10493 69.66713       39.12431 
1 1 1 2   13  24 o 289.4994 15.88337 2066.245       218.9936 2468.510       293.1324 1558.142       329.4459 314.0453 19.62180 242.8342 28.94615 71.21103       34.96991 
1 1 1 2   13  25 o 249.2773 17.64245 1546.226       208.8983 1514.816       249.2740 1620.323       382.8580 244.3872 21.55560 243.1911 33.84506 1.196075       40.12645 
1 1 1 2   13  26 o 298.0727 16.42333 2201.045       233.1363 2504.585       324.0995 1875.559       335.6108 313.9792 21.72478 267.6202 26.58162 46.35898       34.32999 
1 1 1 2   13  27 o 401.0076 17.74831 4022.968       339.4226 4904.094       472.7719 3085.688       487.6037 436.7198 22.72148 336.6686 30.62892 100.0512       38.13655 
1 1 1 2   13  28 f 225.4883 20.10630 1303.207       214.4813 1362.002       256.2859 1165.774       391.8312 227.4605 23.92514 190.7728 43.87668 36.68767       49.97575 
1 1 1 2   13  29 o 143.7522 28.46993 578.5106       188.7400 701.9639       219.0950 223.2763       371.6539 157.3044 30.23101 100.0483 43.03508 57.25607       52.59213 
1 1 1 2   13  30 o 189.1655 18.35390 918.8656       163.9052 1179.983       212.1822 532.5059       258.0994 212.1966 21.19863 128.2432 38.79641 83.95340       44.21022 
1 1 1 2   13  31 o 82.51225 28.73202 192.8404       138.9741 191.9310       175.8280 194.3542       226.8620 83.53445 31.80120 86.20352 35.07323 -2.669075      47.34393 
1 1 1 2   13  32 o 106.9755 33.32349 378.0825       188.6882 758.8913       302.9526 136.7382       241.1792 141.2711 41.86998 79.45627 34.42398 61.81480       54.20430 
1 1 1 2   13  33 f 67.78716 28.00859 101.7968       147.5313 206.0456       186.9644 -70.22685      240.1693 82.06345 32.35994 64.45786 30.33017 17.60560       44.35183 
1 1 1 2   13  34 o 106.3438 30.58190 385.6587       163.7772 149.5544       205.2705 799.2291       271.6748 74.16828 31.94374 142.1065 38.87215 -67.93819      50.31348 
1 1 1 2   13  35 o 106.7513 36.04098 481.9376       218.2287 536.0836       339.9823 443.9966       284.5955 96.60699 41.35031 94.10708 38.89409 2.499908       56.76793 
1 1 1 2   14  0  o 285.4745 7.402931 1954.382       100.9515 1914.509       143.5199 1993.430       142.0257 282.0579 10.66223 287.8779 10.33608 -5.820007      14.84984 
1 1 1 2   14  1  o 294.7451 9.223251 2086.852       129.8088 0.000000       0.000000 2086.852       129.8088 ?        ?        294.7451 9.223251 0.000000       9.223251 
1 1 1 2   14  2  o 224.3577 9.168091 1209.905       98.13239 0.000000       0.000000 1209.905       98.13239 ?        ?        224.3577 9.168091 0.000000       9.168091 
1 1 1 2   14  3  o 273.5468 12.01279 1804.031       156.7197 0.000000       0.000000 1804.031       156.7197 ?        ?        273.5468 12.01279 0.000000       12.01279 
1 1 1 2   14  4  o 388.5174 15.13659 3652.208       280.6176 0.000000       0.000000 3652.208       280.6176 ?        ?        388.5174 15.13659 0.000000       15.13659 
1 1 1 2   14  5  o 302.2351 10.97703 2198.920       158.3493 0.000000       0.000000 2198.920       158.3493 ?        ?        302.2351 10.97703 0.000000       10.97703 
1 1 1 2   14  6  o 231.2627 11.38675 1289.596       125.5095 0.000000       0.000000 1289.596       125.5095 ?        ?        231.2627 11.38675 0.000000       11.38675 
1 1 1 2   14  7  o 178.1630 9.730867 764.6276       82.57062 0.000000       0.000000 764.6276       82.57062 ?        ?        178.1630 9.730867 0.000000       9.730867 
1 1 1 2   14  8  o 70.39485 17.93077 125.0254       60.50364 0.000000       0.000000 125.0254       60.50364 ?        ?        70.39485 17.93077 0.000000       17.93077 
1 1 1 2   14  9  o 185.6548 10.39143 831.3433       91.86568 0.000000       0.000000 831.3433       91.86568 ?        ?        185.6548 10.39143 0.000000       10.39143 
1 1 1 2   14  10 o 393.0154 8.223246 3706.653       154.5116 3947.813       220.4016 3473.588       216.6711 404.7202 11.40209 379.4576 11.95836 25.26257       16.52302 
1 1 1 2   14  11 o 291.3128 8.873330 2040.150       123.4377 2099.817       181.8795 1989.199       168.0716 294.6134 12.94448 286.9049 12.28157 7.708435       17.84367 
1 1 1 2   14  12 o 387.2144 12.73328 3625.178       235.4014 4005.707       414.8232 3444.433       285.8926 402.8312 21.61849 376.2223 15.93067 26.60892       26.85415 
1 1 1 2   14  13 o 447.5202 12.98759 4846.087       277.5811 5526.295       545.5814 4608.513       322.4326 470.9204 24.31514 435.2766 15.51889 35.64383       28.84549 
1 1 1 2   14  14 o 95.22688 27.85720 233.9636       134.8412 402.4661       170.0819 -51.14943      221.2399 123.7548 29.21809 71.94408 32.00002 51.81070       43.33241 
1 1 1 2   14  15 o 156.6309 14.63367 600.6555       108.3136 782.4393       145.3823 373.8779       162.3806 178.1817 17.28315 119.2214 28.81185 58.96030       33.59806 
1 1 1 2   14  16 o 304.0788 12.18484 2239.039       176.7804 2416.601       225.1023 1953.295       285.5567 314.8979 14.99517 280.1810 21.48178 34.71689       26.19775 
1 1 1 2   14  17 o 318.0944 14.16822 2462.553       214.9257 2539.317       293.4671 2373.749       315.6450 320.6487 19.23189 308.7376 21.51930 11.91110       28.86081 
1 1 1 2   14  18 o 100.7212 21.15405 260.4089       98.61797 281.8457       106.4012 129.7557       262.6793 104.6484 21.96797 92.01239 37.62555 12.63605       43.56919 
1 1 1 2   14  19 o 286.4312 13.21369 1996.032       180.4601 2371.480       231.6943 1417.014       287.7308 311.2034 15.62261 235.2437 26.01781 75.95973       30.34786 
1 1 1 2   14  20 o 49.79083 23.22980 -113.1644      135.8955 38.46488       211.1671 -220.3543      177.5463 76.65951 32.69422 52.18355 24.98560 24.47596       41.14842 
1 1 1 2   14  21 o 362.4554 13.28198 3202.322       229.7686 3643.671       292.3213 2488.856       371.6685 385.0549 15.91352 311.7209 25.15255 73.33405       29.76392 
1 1 1 2   14  22 o 316.3279 14.47415 2452.245       218.3165 2462.353       282.0488 2437.138       344.8159 314.3133 18.85622 309.2447 23.49849 5.068573       30.12866 
1 1 1 2   14  23 o 233.1884 19.57763 1365.405       216.2473 1753.368       265.1342 594.4855       373.7450 263.3467 21.23862 139.0303 47.16459 124.3165       51.72599 
1 1 1 2   14  24 o 106.8493 30.96889 313.4330       167.3373 359.8423       251.3895 276.5089       224.2333 113.2693 38.67702 102.3083 36.42243 10.96099       53.12725 
1 1 1 2   14  25 o 237.3962 16.39529 1400.813       184.9377 1601.058       238.4128 1098.287       293.0415 251.5873 19.98544 199.9998 31.70344 51.58751       37.47700 
1 1 1 2   14  26 o 200.0471 19.94688 1022.989       188.2323 1103.657       213.3629 739.7828       399.7764 206.4756 21.95034 146.5067 48.77230 59.96884       53.48416 
1 1 1 2   14  27 o 361.4930 15.65157 3258.170       269.8582 3334.349       349.0771 3145.025       425.4223 360.6591 20.32719 342.8084 26.15481 17.85071       33.12505 
1 1 1 2   14  28 o 60.88029 26.47417 12.70669       143.7400 127.9354       179.4951 -193.2892      239.9947 78.22995 31.42301 62.41730 29.65087 15.81264       43.20393 
1 1 1 2   14  29 o 97.19810 29.56424 274.6006       149.5986 227.2180       161.7600 554.6465       393.2570 89.41728 31.00606 122.0121 47.27277 -32.59485      56.53397 
1 1 1 2   14  30 o 203.6594 24.67605 1151.543       235.3691 1379.259       290.1613 713.4394       402.4675 218.2613 28.48613 128.5710 48.29969 89.69026       56.07423 
1 1 1 2   14  31 o 53.52448 24.31982 -27.70092      135.6585 46.29699       164.8147 -183.1457      238.8770 64.57258 28.20962 59.61510 28.65825 4.957481       40.21291 
1 1 1 2   14  32 o 72.27876 29.41653 133.7682       159.6422 254.7072       208.0790 -39.28021      248.9022 87.41052 34.23773 66.77355 31.24626 20.63697       46.35246 
1 1 1 2   14  33 o 85.82647 30.11441 252.1032       152.8424 389.8761       185.9984 -34.37668      268.2096 102.9031 33.21241 66.21475 31.42316 36.68835       45.72176 
1 1 1 2   14  34 o 107.0271 30.96061 415.7462       167.3960 460.7312       204.4205 324.1789       291.6489 106.1693 34.85744 84.29768 37.15348 21.87159       50.94529 
1 1 1 2   15  0  o 478.9116 7.979689 5503.511       182.7047 0.000000       0.000000 5503.511       182.7047 ?        ?        478.9116 7.979689 0.000000       7.979689 
1 1 1 2   15  1  o 88.14275 15.93197 194.0658       64.66694 0.000000       0.000000 194.0658       64.66694 ?        ?        88.14275 15.93197 0.000000       15.93197 
1 1 1 2   15  2  o 307.4044 8.412719 2270.103       123.5226 0.000000       0.000000 2270.103       123.5226 ?        ?        307.4044 8.412719 0.000000       8.412719 
1 1 1 2   15  3  o 259.6826 8.911100 1621.534       110.4685 0.000000       0.000000 1621.534       110.4685 ?        ?        259.6826 8.911100 0.000000       8.911100 
1 1 1 2   15  4  o 237.3411 9.287173 1355.614       105.1782 0.000000       0.000000 1355.614       105.1782 ?        ?        237.3411 9.287173 0.000000       9.287173 
1 1 1 2   15  5  o 274.2958 9.262042 1810.021       121.2860 0.000000       0.000000 1810.021       121.2860 ?        ?        274.2958 9.262042 0.000000       9.262042 
1 1 1 2   15  6  o 251.6919 9.230635 1524.408       110.8850 0.000000       0.000000 1524.408       110.8850 ?        ?        251.6919 9.230635 0.000000       9.230635 
1 1 1 2   15  7  o 196.8104 9.549440 933.4913       89.58521 0.000000       0.000000 933.4913       89.58521 ?        ?        196.8104 9.549440 0.000000       9.549440 
1 1 1 2   15  8  o 186.8074 10.21568 842.3784       90.88947 0.000000       0.000000 842.3784       90.88947 ?        ?        186.8074 10.21568 0.000000       10.21568 
1 1 1 2   15  9  o 308.7605 9.495679 2294.942       140.0037 0.000000       0.000000 2294.942       140.0037 ?        ?        308.7605 9.495679 0.000000       9.495679 
1 1 1 2   15  10 o 101.6429 12.77513 253.5440       60.71190 0.000000       0.000000 253.5440       60.71190 ?        ?        101.6429 12.77513 0.000000       12.77513 
1 1 1 2   15  11 o 124.2244 9.626706 373.5111       56.72739 260.6755       97.37778 431.4740       69.79298 101.1378 20.83280 133.3240 11.04865 -32.18623      23.58131 
1 1 1 2   15  12 f 41.85805 16.17611 28.14902       45.95953 72.99824       70.32858 -5.280678      60.71843 57.80352 20.41545 40.09857 17.32233 17.70496       26.77412 
1 1 1 2   15  13 o 186.9148 13.09211 849.9981       116.2537 825.8782       152.1233 883.8605       180.2465 182.9458 17.60992 188.3622 20.33747 -5.416397      26.90208 
1 1 1 2   15  14 o 262.2881 13.63058 1673.093       170.3369 1803.246       223.9296 1494.372       262.4052 270.9019 17.38155 244.1311 22.74397 26.77077       28.62528 
1 1 1 2   15  15 o 303.4194 11.84073 2229.789       171.4335 2422.365       216.9115 1909.328       279.8133 315.2855 14.42856 276.6821 21.31759 38.60342       25.74147 
1 1 1 2   15  16 o 132.4823 16.60138 435.7841       102.8478 323.9527       132.6864 604.0988       162.7817 111.2757 25.49000 154.0993 22.78083 -42.82365      34.18634 
1 1 1 2   15  17 o 178.3063 16.64206 785.6154       140.2287 674.3943       211.6944 872.5745       187.1861 160.0549 28.72037 186.0841 21.43145 -26.02925      35.83527 
1 1 1 2   15  18 o 365.9459 12.28141 3252.202       214.5645 3363.726       259.7873 3012.857       380.5808 370.9356 14.67808 345.3425 23.18528 25.59314       27.44090 
1 1 1 2   15  19 o 238.1355 13.86032 1387.241       157.1176 1411.413       200.9938 1349.265       251.9321 238.4867 17.75570 230.2056 23.20714 8.281097       29.22047 
1 1 1 2   15  20 o 92.57020 21.99996 223.7352       95.92227 231.7334       109.9796 198.3097       196.0875 93.71944 24.33359 91.45297 33.83906 2.266472       41.67980 
1 1 1 2   15  21 o 80.37357 24.87574 166.7714       105.3368 149.2661       110.8156 330.7846       339.1999 77.25854 25.67708 113.5393 43.92714 -36.28078      50.88129 
1 1 1 2   15  22 o 264.9248 15.52885 1730.990       195.8222 2053.806       256.9178 1283.462       302.5008 286.6048 18.85478 219.2637 29.61336 67.34103       35.10632 
1 1 1 2   15  23 o 132.6686 24.81900 465.3199       151.6351 537.1587       165.7087 95.47337       375.9902 142.5544 25.23744 97.02969 42.49311 45.52473       49.42259 
1 1 1 2   15  24 o 92.29826 27.67662 232.0930       131.7719 82.25091       157.6198 579.9236       240.1473 71.66280 29.20573 140.6349 35.66948 -68.97213      46.10083 
1 1 1 2   15  25 o 253.8241 16.79445 1616.469       202.6553 2061.271       262.6476 962.0571       318.5780 284.5324 19.42431 178.3593 38.49089 106.1731       43.11441 
1 1 1 2   15  26 o 128.7633 36.51558 509.2179       235.0983 502.2833       282.7352 524.7557       423.2163 124.5611 40.99932 122.8367 48.60880 1.724380       63.59056 
1 1 1 2   15  27 o 167.1452 20.39342 728.9844       159.5940 721.4307       199.2366 742.5093       266.5999 161.6971 26.70396 155.2647 36.52943 6.432358       45.24931 
1 1 1 2   15  28 o 166.2798 20.85766 733.0435       162.1726 759.0358       202.3396 686.3541       271.1863 164.4352 26.64956 144.1453 38.58773 20.28984       46.89576 
1 1 1 2   15  29 o 121.8713 33.49886 479.9767       201.2001 221.4143       299.1075 693.6597       271.9126 89.68769 38.59314 140.4940 39.06923 -50.80634      54.91662 
1 1 1 2   15  30 o 65.22678 28.34153 56.64623       164.4578 19.29477       177.9469 275.3675       430.6082 63.56414 28.45644 93.00151 42.66299 -29.43737      51.28255 
1 1 1 2   15  31 o 70.68200 32.67630 26.32719       259.5996 -383.1617      322.4796 780.2998       437.5815 60.30928 29.87166 116.8427 48.25326 -56.53346      56.75115 
1 1 1 2   15  32 o 45.38351 22.20575 -200.8032      161.0041 -279.1124      200.7295 -59.53996      269.5998 48.23680 23.83299 64.58501 30.88713 -16.34821      39.01315 
1 1 1 2   16  0  f 231.6224 9.287971 1291.979       102.6427 0.000000       0.000000 1291.979       102.6427 ?        ?        231.6224 9.287971 0.000000       9.287971 
1 1 1 2   16  1  o 155.8904 11.30583 588.9404       83.68909 0.000000       0.000000 588.9404       83.68909 ?        ?        155.8904 11.30583 0.000000       11.30583 
1 1 1 2   16  2  o 176.9367 9.985929 755.7821       84.12955 0.000000       0.000000 755.7821       84.12955 ?        ?        176.9367 9.985929 0.000000       9.985929 
1 1 1 2   16  3  o 238.4283 11.42937 1374.124       129.9039 0.000000       0.000000 1374.124       129.9039 ?        ?        238.4283 11.42937 0.000000       11.42937 
1 1 1 2   16  4  o 213.9507 11.49558 1107.308       117.1535 0.000000       0.000000 1107.308       117.1535 ?        ?        213.9507 11.49558 0.000000       11.49558 
1 1 1 2   16  5  o 176.1908 10.94723 751.1015       91.75819 0.000000       0.000000 751.1015       91.75819 ?        ?        176.1908 10.94723 0.000000       10.94723 
1 1 1 2   16  6  o 272.4308 12.55546 1797.736       163.0903 0.000000       0.000000 1797.736       163.0903 ?        ?        272.4308 12.55546 0.000000       12.55546 
1 1 1 2   16  7  o 329.0190 13.37229 2625.512       209.9080 0.000000       0.000000 2625.512       209.9080 ?        ?        329.0190 13.37229 0.000000       13.37229 
1 1 1 2   16  8  o 198.5683 10.03613 951.9716       94.96729 0.000000       0.000000 951.9716       94.96729 ?        ?        198.5683 10.03613 0.000000       10.03613 
1 1 1 2   16  9  o 104.6151 14.54115 270.6610       70.76463 0.000000       0.000000 270.6610       70.76463 ?        ?        104.6151 14.54115 0.000000       14.54115 
1 1 1 2   16  10 o 64.27542 15.35781 104.5428       46.54706 0.000000       0.000000 104.5428       46.54706 ?        ?        64.27542 15.35781 0.000000       15.35781 
1 1 1 2   16  11 o 94.03191 14.23114 219.4210       61.97852 0.000000       0.000000 219.4210       61.97852 ?        ?        94.03191 14.23114 0.000000       14.23114 
1 1 1 2   16  12 o 235.5554 8.765081 1336.739       98.53700 1482.651       185.4733 1279.359       116.3090 245.9840 15.85571 230.0217 10.60489 15.96227       19.07530 
1 1 1 2   16  13 o 291.0574 10.39207 2046.729       144.3748 2421.671       246.3272 1850.527       178.1895 314.1813 16.45661 275.7040 13.56017 38.47733       21.32366 
1 1 1 2   16  14 o 64.44595 20.71805 101.4972       72.42570 49.76975       83.80115 254.1772       143.9729 55.56554 21.73857 98.19334 28.80157 -42.62780      36.08456 
1 1 1 2   16  15 o 128.1007 15.06409 406.0027       90.49636 360.7319       108.0072 512.6634       165.7852 119.2464 19.62748 140.2081 25.67827 -20.96170      32.32045 
1 1 1 2   16  16 o 245.3723 13.26283 1469.100       155.0076 1640.042       185.6351 1075.422       281.7133 258.5357 15.08418 201.3445 30.19575 57.19118       33.75375 
1 1 1 2   16  17 o 48.72197 21.10950 -5.160110      90.70139 -40.79316      111.5056 64.52399       155.9326 49.98941 22.44120 70.55635 28.93624 -20.56694      36.61849 
1 1 1 2   16  18 o 55.71787 22.85122 34.21620       97.24851 -187.3364      120.9718 438.9523       163.5053 41.08886 19.90922 128.2085 27.49974 -87.11958      33.95015 
1 1 1 2   16  19 o 298.5725 14.75588 2188.165       209.9790 2574.980       266.2954 1552.304       341.4235 322.3682 17.34222 241.4010 30.24529 80.96724       34.86446 
1 1 1 2   16  20 o 171.5483 19.66874 743.9276       158.3998 923.2325       218.0372 543.5313       230.5045 188.5078 24.79367 138.6346 34.82722 49.87326       42.75115 
1 1 1 2   16  21 o 64.81696 27.94248 15.17258       157.3527 -23.53477      175.2098 176.5558       357.7592 64.38136 28.56568 100.7923 42.75481 -36.41091      51.41956 
1 1 1 2   16  22 o 61.42422 26.42883 16.19873       140.2453 105.7512       180.7968 -119.0975      222.2260 77.27433 31.35840 64.87153 30.07475 12.40280       43.44928 
1 1 1 2   16  23 o 81.51880 31.50354 151.4686       174.3214 43.65170       194.3469 595.2512       394.2930 72.31573 31.11331 131.9529 48.12452 -59.63718      57.30626 
1 1 1 2   16  24 o 293.4922 15.63527 2152.400       218.5951 1413.829       273.2390 3465.545       364.3366 229.7548 25.29333 366.5688 20.87556 -136.8140      32.79546 
1 1 1 2   16  25 o 192.5981 22.78835 981.8978       205.7727 886.9952       285.9437 1083.832       296.3481 171.1919 36.07698 192.5770 33.39773 -21.38510      49.16255 
1 1 1 2   16  26 o 138.4176 26.65365 537.6477       169.9838 597.4208       185.8242 231.2132       420.7444 145.1829 27.78365 99.50165 44.20078 45.68124       52.20766 
1 1 1 2   16  27 o 78.14853 28.93360 166.6603       143.3952 139.9825       173.8062 223.5263       253.7562 76.55689 30.86145 89.29810 36.79857 -12.74120      48.02670 
1 1 1 2   16  28 o 95.45253 35.67774 308.6740       219.0246 543.0281       265.1716 -194.4714      388.5416 120.2033 39.71180 73.62214 35.67471 46.58117       53.38270 
1 1 1 2   16  29 o 184.9718 21.91990 951.1183       190.0806 1161.477       214.0836 167.6625       413.1521 204.0331 22.31018 86.54047 40.41774 117.4926       46.16641 
1 1 1 2   16  30 o 80.46835 31.91333 212.7272       182.7989 200.1872       189.4171 382.8292       697.6288 79.10399 32.09860 90.59368 44.69911 -11.48969      55.03027 
1 1 1 2   16  31 o 84.74146 34.96886 291.2150       229.5686 409.8728       327.3191 176.3374       322.0629 90.09064 39.54523 76.95152 35.85480 13.13911       53.37970 
1 1 1 2   17  0  o 337.0822 8.729241 2734.375       140.5578 0.000000       0.000000 2734.375       140.5578 ?        ?        337.0822 8.729241 0.000000       8.729241 
1 1 1 2   17  1  o 190.6241 10.04346 877.9597       91.20827 0.000000       0.000000 877.9597       91.20827 ?        ?        190.6241 10.04346 0.000000       10.04346 
1 1 1 2   17  2  o 119.6148 11.81215 349.0599       66.66871 0.000000       0.000000 349.0599       66.66871 ?        ?        119.6148 11.81215 0.000000       11.81215 
1 1 1 2   17  3  o 82.43299 13.77202 169.1364       52.36247 0.000000       0.000000 169.1364       52.36247 ?        ?        82.43299 13.77202 0.000000       13.77202 
1 1 1 2   17  4  o 331.6299 11.70963 2661.313       185.3630 0.000000       0.000000 2661.313       185.3630 ?        ?        331.6299 11.70963 0.000000       11.70963 
1 1 1 2   17  5  o 203.0885 10.13080 996.6481       98.05370 0.000000       0.000000 996.6481       98.05370 ?        ?        203.0885 10.13080 0.000000       10.13080 
1 1 1 2   17  6  o 297.4708 9.509931 2133.391       135.0740 0.000000       0.000000 2133.391       135.0740 ?        ?        297.4708 9.509931 0.000000       9.509931 
1 1 1 2   17  7  o 227.4320 12.07183 1255.201       130.7901 0.000000       0.000000 1255.201       130.7901 ?        ?        227.4320 12.07183 0.000000       12.07183 
1 1 1 2   17  8  o 31.05442 13.33398 -1.861021      35.55869 0.000000       0.000000 -1.861021      35.55869 ?        ?        31.05442 13.33398 0.000000       13.33398 
1 1 1 2   17  9  o 238.7204 9.867740 1376.446       112.3772 0.000000       0.000000 1376.446       112.3772 ?        ?        238.7204 9.867740 0.000000       9.867740 
1 1 1 2   17  10 o 99.51728 13.69151 245.1117       63.41690 0.000000       0.000000 245.1117       63.41690 ?        ?        99.51728 13.69151 0.000000       13.69151 
1 1 1 2   17  11 o 389.0426 13.43482 3684.934       249.5084 0.000000       0.000000 3684.934       249.5084 ?        ?        389.0426 13.43482 0.000000       13.43482 
1 1 1 2   17  12 o 139.9274 12.47234 478.8257       82.56345 0.000000       0.000000 478.8257       82.56345 ?        ?        139.9274 12.47234 0.000000       12.47234 
1 1 1 2   17  13 o 190.9923 9.459999 882.0779       86.11158 978.0825       144.1977 828.8633       107.3564 199.3771 15.24335 184.4100 12.24624 14.96709       19.55326 
1 1 1 2   17  14 o 125.4352 13.33670 387.2043       78.75439 396.6001       148.8267 383.5500       92.81418 122.4398 26.21505 124.0622 16.02202 -1.622429      30.72351 
1 1 1 2   17  15 o 194.9768 9.350357 919.3420       86.90644 869.5552       154.4861 942.3923       105.1166 186.9401 17.48836 196.9195 11.21173 -9.979416      20.77368 
1 1 1 2   17  16 o 273.6045 12.36632 1823.194       161.3422 1856.184       198.2290 1758.447       277.7071 274.8129 15.14623 263.3235 22.26770 11.48938       26.93063 
1 1 1 2   17  17 o 158.3443 16.72131 624.8683       124.6751 750.7100       137.1857 27.78718       298.8225 173.6982 16.72640 86.12513 37.79522 87.57304       41.33099 
1 1 1 2   17  18 o 138.4058 16.28668 478.8332       105.7088 567.4566       125.4536 261.8626       196.2952 150.2077 17.81616 99.07796 34.16552 51.12976       38.53178 
1 1 1 2   17  19 o 123.6711 20.25431 394.5491       115.6133 458.3110       144.1050 279.3747       193.6763 131.8301 23.73705 100.6779 33.95307 31.15221       41.42775 
1 1 1 2   17  20 o 86.39132 26.07448 201.0492       116.6792 184.9668       134.3550 250.3921       235.3378 83.89529 28.27922 97.65795 36.88005 -13.76266      46.47421 
1 1 1 2   17  21 o 65.87766 25.86592 82.87206       119.0045 81.13676       135.3452 88.78493       249.8356 67.98091 27.29311 82.61514 35.40596 -14.63422      44.70454 
1 1 1 2   17  22 o 218.2569 19.76462 1224.224       204.0029 1301.534       268.3613 1118.391       313.9894 219.6687 26.06026 195.1329 34.94018 24.53572       43.58845 
1 1 1 2   17  23 o 145.4396 25.12530 575.6594       168.3883 701.0314       177.7862 -517.0305      524.8633 161.8092 23.68308 81.12637 39.77724 80.68283       46.29382 
1 1 1 2   17  24 o 202.5041 20.28837 1073.316       193.7791 1209.403       233.3606 771.0645       347.7794 212.1269 23.39867 145.6064 45.22226 66.52049       50.91709 
1 1 1 2   17  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17  28 o 89.45170 37.05888 296.2019       259.2239 0.000000       0.000000 296.2019       259.2239 ?        ?        89.45170 37.05888 0.000000       37.05888 
1 1 1 2   17  29 o 43.85316 21.46067 -195.0784      150.5748 -226.6982      154.7388 368.8249       653.4647 43.15841 21.24776 86.63210 42.83970 -43.47369      47.81953 
1 1 1 2   18  0  o 209.1241 11.65994 1061.379       116.1143 0.000000       0.000000 1061.379       116.1143 ?        ?        209.1241 11.65994 0.000000       11.65994 
1 1 1 2   18  1  o 280.1726 9.820445 1895.137       131.3389 0.000000       0.000000 1895.137       131.3389 ?        ?        280.1726 9.820445 0.000000       9.820445 
1 1 1 2   18  2  o 30.40532 13.52867 -14.30551      39.57819 0.000000       0.000000 -14.30551      39.57819 ?        ?        30.40532 13.52867 0.000000       13.52867 
1 1 1 2   18  3  o 165.1768 12.79703 665.8556       100.2694 0.000000       0.000000 665.8556       100.2694 ?        ?        165.1768 12.79703 0.000000       12.79703 
1 1 1 2   18  4  f 143.4630 12.44658 502.6982       84.52480 0.000000       0.000000 502.6982       84.52480 ?        ?        143.4630 12.44658 0.000000       12.44658 
1 1 1 2   18  5  o 85.36784 14.41123 182.2095       56.72534 0.000000       0.000000 182.2095       56.72534 ?        ?        85.36784 14.41123 0.000000       14.41123 
1 1 1 2   18  6  o 316.9137 13.77909 2448.996       208.2719 0.000000       0.000000 2448.996       208.2719 ?        ?        316.9137 13.77909 0.000000       13.77909 
1 1 1 2   18  7  o 136.4454 13.77056 457.5779       88.60165 0.000000       0.000000 457.5779       88.60165 ?        ?        136.4454 13.77056 0.000000       13.77056 
1 1 1 2   18  8  o 262.3306 11.67401 1670.378       146.0455 0.000000       0.000000 1670.378       146.0455 ?        ?        262.3306 11.67401 0.000000       11.67401 
1 1 1 2   18  9  o 228.7859 12.81587 1275.627       139.6196 0.000000       0.000000 1275.627       139.6196 ?        ?        228.7859 12.81587 0.000000       12.81587 
1 1 1 2   18  10 o 135.0539 15.19705 451.4416       96.42275 0.000000       0.000000 451.4416       96.42275 ?        ?        135.0539 15.19705 0.000000       15.19705 
1 1 1 2   18  11 o 32.06196 14.29641 -16.53891      44.44258 0.000000       0.000000 -16.53891      44.44258 ?        ?        32.06196 14.29641 0.000000       14.29641 
1 1 1 2   18  12 o 245.1435 10.52563 1456.355       123.0733 0.000000       0.000000 1456.355       123.0733 ?        ?        245.1435 10.52563 0.000000       10.52563 
1 1 1 2   18  13 o 333.3874 14.95719 2729.023       237.7936 0.000000       0.000000 2729.023       237.7936 ?        ?        333.3874 14.95719 0.000000       14.95719 
1 1 1 2   18  14 o 199.8126 12.01801 974.1920       114.2751 0.000000       0.000000 974.1920       114.2751 ?        ?        199.8126 12.01801 0.000000       12.01801 
1 1 1 2   18  15 o 231.4093 9.617810 1297.552       106.1739 1415.322       203.6292 1253.579       124.4263 237.7708 18.04801 226.7873 11.51353 10.98351       21.40776 
1 1 1 2   18  16 o 107.7854 15.56893 292.4196       77.90607 0.000000       0.000000 292.4196       77.90607 ?        ?        107.7854 15.56893 0.000000       15.56893 
1 1 1 2   18  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18  20 o 118.9319 23.54414 381.1453       129.1327 319.4580       152.8939 534.6458       241.1833 105.8557 29.24320 131.7200 36.85685 -25.86434      47.04882 
1 1 1 2   18  21 o 81.48635 27.50817 180.2025       127.1283 228.8953       149.1261 50.70587       243.1929 90.00261 29.78241 77.35457 34.01627 12.64804       45.21171 
1 1 1 2   18  22 o 46.09161 22.28484 -192.1540      149.4967 -253.0967      162.5397 142.5026       380.8888 45.68579 22.34470 91.79838 41.32069 -46.11258      46.97537 
1 1 1 2   18  23 o 85.46796 30.09818 214.6974       152.7753 197.0919       180.0200 260.0181       288.8313 83.61918 32.09275 93.25926 38.91653 -9.640083      50.44246 
1 1 1 2   18  24 o 141.5506 26.04200 580.6304       169.7437 588.5115       202.0639 561.7338       312.8864 136.8944 31.52532 117.7845 42.88292 19.10990       53.22397 
1 1 1 2   18  25 o 110.7655 32.75992 409.3869       185.6200 491.8436       198.9276 -145.7858      516.1738 121.3555 33.29006 81.08710 39.69304 40.26839       51.80507 
1 1 1 2   18  26 o 50.38015 24.55165 -215.6223      191.1819 -71.36971      317.7220 -297.4977      239.3659 70.05243 33.50964 53.78320 26.46846 16.26923       42.70217 
1 1 1 2   18  27 o 54.66340 26.24112 -123.7158      198.6888 -647.7523      331.3996 170.3563       248.2551 53.43874 26.99671 76.50019 33.96943 -23.06145      43.39060 
1 1 1 2   18  28 o 112.9949 33.65149 491.9198       195.3188 311.1356       217.2273 1254.991       446.2895 86.55640 34.63640 133.6243 50.71319 -47.06790      61.41260 
1 1 1 2   19  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19  5  o 248.3813 22.96296 1570.975       269.5951 0.000000       0.000000 1570.975       269.5951 ?        ?        248.3813 22.96296 0.000000       22.96296 
1 1 1 2   19  6  o 194.4670 20.90736 957.4722       191.3313 0.000000       0.000000 957.4722       191.3313 ?        ?        194.4670 20.90736 0.000000       20.90736 
1 1 1 2   19  7  o 112.2874 28.16264 340.7224       150.9024 0.000000       0.000000 340.7224       150.9024 ?        ?        112.2874 28.16264 0.000000       28.16264 
1 1 1 2   19  8  o 87.42088 36.16139 121.3869       246.2937 0.000000       0.000000 121.3869       246.2937 ?        ?        87.42088 36.16139 0.000000       36.16139 
1 1 1 2   19  9  f 111.6664 13.30479 308.6491       69.63413 0.000000       0.000000 308.6491       69.63413 ?        ?        111.6664 13.30479 0.000000       13.30479 
1 1 1 2   19  10 o 91.48965 18.83512 216.1631       79.63846 0.000000       0.000000 216.1631       79.63846 ?        ?        91.48965 18.83512 0.000000       18.83512 
1 1 1 2   19  11 o 129.2159 13.88454 413.8525       84.42995 0.000000       0.000000 413.8525       84.42995 ?        ?        129.2159 13.88454 0.000000       13.88454 
1 1 1 2   19  12 o 131.0670 14.78273 428.0589       91.01687 0.000000       0.000000 428.0589       91.01687 ?        ?        131.0670 14.78273 0.000000       14.78273 
1 1 1 2   19  13 o 233.4729 14.87150 1350.249       165.1340 0.000000       0.000000 1350.249       165.1340 ?        ?        233.4729 14.87150 0.000000       14.87150 
1 1 1 2   19  14 o 190.5647 12.59355 892.8980       114.0926 0.000000       0.000000 892.8980       114.0926 ?        ?        190.5647 12.59355 0.000000       12.59355 
1 1 1 2   19  15 o 54.09568 21.58454 45.98967       84.11398 0.000000       0.000000 45.98967       84.11398 ?        ?        54.09568 21.58454 0.000000       21.58454 
1 1 1 2   19  16 o 97.55902 14.26501 239.6820       64.56815 175.1158       131.8873 260.0355       74.04914 81.60184 28.01006 101.1315 15.83447 -19.52965      32.17598 
1 1 1 2   19  17 o 129.1812 13.06157 414.8241       79.56125 540.1295       218.7348 395.7182       85.41171 134.7030 33.97494 125.5935 14.49000 9.109482       36.93584 
1 1 1 2   19  18 o 73.78036 21.72423 145.7309       81.77661 467.4977       217.3632 92.67812       88.26116 123.1331 35.17503 62.77529 22.78755 60.35783       41.91127 
1 1 1 2   19  19 o 67.20116 25.67838 103.3269       114.9125 178.4102       133.8234 -107.4519      224.2196 80.61515 28.18641 63.61404 29.73150 17.00111       40.96872 
1 1 1 2   19  20 o 66.29327 25.33484 103.1440       111.8680 210.5679       136.1914 -119.6648      196.1397 85.17055 28.46941 58.10104 27.36080 27.06951       39.48570 
1 1 1 2   19  21 o 51.34820 23.20415 -26.05334      121.4848 -6.472358      128.4028 -193.2200      375.1735 54.53703 24.31039 73.62733 35.52534 -19.09030      43.04701 
1 1 1 2   19  22 o 91.36028 26.81676 250.5317       124.7746 180.9011       146.2764 436.5378       239.0770 79.02615 29.22933 109.7317 37.71055 -30.70554      47.71204 
1 1 1 2   19  23 o 90.40563 29.30909 259.0519       144.7496 229.0815       179.0470 315.5972       245.9339 84.86790 32.14166 93.75368 37.06897 -8.885780      49.06317 
1 1 1 2   19  24 o 65.83247 27.94863 90.90903       153.0938 200.0368       176.3368 -243.1289      308.5127 79.32811 31.38130 62.51650 30.62017 16.81161       43.84496 
1 1 1 2   19  25 o 62.36932 29.22636 -17.53222      219.0506 279.2024       305.1387 -333.0516      314.6489 84.04649 37.46951 58.92091 29.24015 25.12558       47.52842 
1 1 1 2   20  0  o 328.4966 13.01729 2642.745       204.0324 0.000000       0.000000 2642.745       204.0324 ?        ?        328.4966 13.01729 0.000000       13.01729 
1 1 1 2   20  1  o 90.78786 20.12042 215.1426       85.03506 0.000000       0.000000 215.1426       85.03506 ?        ?        90.78786 20.12042 0.000000       20.12042 
1 1 1 2   20  2  o 152.5404 13.83945 575.0825       99.83080 0.000000       0.000000 575.0825       99.83080 ?        ?        152.5404 13.83945 0.000000       13.83945 
1 1 1 2   20  3  o 140.2246 14.08048 487.2974       93.11909 0.000000       0.000000 487.2974       93.11909 ?        ?        140.2246 14.08048 0.000000       14.08048 
1 1 1 2   20  4  o 148.0180 14.23873 543.0396       99.51974 0.000000       0.000000 543.0396       99.51974 ?        ?        148.0180 14.23873 0.000000       14.23873 
1 1 1 2   20  5  f 122.5011 15.04036 375.1309       86.23957 0.000000       0.000000 375.1309       86.23957 ?        ?        122.5011 15.04036 0.000000       15.04036 
1 1 1 2   20  6  o 76.57759 16.88062 151.1429       60.13460 0.000000       0.000000 151.1429       60.13460 ?        ?        76.57759 16.88062 0.000000       16.88062 
1 1 1 2   20  7  o 229.8483 10.31832 1285.013       113.0967 0.000000       0.000000 1285.013       113.0967 ?        ?        229.8483 10.31832 0.000000       10.31832 
1 1 1 2   20  8  o 26.06084 12.20361 -36.83106      38.07949 0.000000       0.000000 -36.83106      38.07949 ?        ?        26.06084 12.20361 0.000000       12.20361 
1 1 1 2   20  9  o 88.36024 18.83056 203.3177       77.11347 0.000000       0.000000 203.3177       77.11347 ?        ?        88.36024 18.83056 0.000000       18.83056 
1 1 1 2   20  10 o 210.1588 12.89541 1087.114       128.9421 0.000000       0.000000 1087.114       128.9421 ?        ?        210.1588 12.89541 0.000000       12.89541 
1 1 1 2   20  11 o 204.7956 12.00294 1029.442       117.0062 0.000000       0.000000 1029.442       117.0062 ?        ?        204.7956 12.00294 0.000000       12.00294 
1 1 1 2   20  12 o 74.24727 17.82443 144.0998       62.46821 0.000000       0.000000 144.0998       62.46821 ?        ?        74.24727 17.82443 0.000000       17.82443 
1 1 1 2   20  13 o 164.4747 14.53806 676.1895       113.1419 0.000000       0.000000 676.1895       113.1419 ?        ?        164.4747 14.53806 0.000000       14.53806 
1 1 1 2   20  14 o 142.7028 15.40814 514.6641       103.4566 0.000000       0.000000 514.6641       103.4566 ?        ?        142.7028 15.40814 0.000000       15.40814 
1 1 1 2   20  15 f 107.6829 20.44251 309.7317       101.3940 0.000000       0.000000 309.7317       101.3940 ?        ?        107.6829 20.44251 0.000000       20.44251 
1 1 1 2   20  16 o 142.7575 14.05181 513.9510       94.66277 0.000000       0.000000 513.9510       94.66277 ?        ?        142.7575 14.05181 0.000000       14.05181 
1 1 1 2   20  17 f 134.9583 15.33593 466.2505       97.19779 0.000000       0.000000 466.2505       97.19779 ?        ?        134.9583 15.33593 0.000000       15.33593 
1 1 1 2   20  18 o 110.4542 18.16965 323.7700       92.61497 94.38546       220.1992 373.0695       102.0834 75.17705 32.72834 118.4178 18.64743 -43.24080      37.66791 
1 1 1 2   20  19 o 47.34172 20.14231 18.19109       79.81413 -76.72397      129.6897 76.05600       101.2618 48.50136 22.64965 59.97201 23.76270 -11.47065      32.82793 
1 1 1 2   20  20 o 66.95972 21.62816 124.3008       78.86684 168.7721       135.2019 101.3638       97.09824 76.26910 28.12035 63.27684 23.73372 12.99227       36.79734 
1 1 1 2   20  21 o 57.43746 24.45722 49.36865       117.8364 9.961267       136.4934 164.6864       233.4915 55.99778 25.00615 78.04648 33.84182 -22.04869      42.07822 
1 1 1 2   20  22 o 74.63520 28.27421 173.2410       138.5745 160.6488       147.2341 270.9417       410.1151 73.02185 28.74048 85.30665 39.97982 -12.28480      49.23821 
1 1 1 2   20  23 o 31.77585 16.06547 -343.6511      118.7507 -342.8228      135.5056 -346.3927      246.5393 35.14471 17.69285 51.47277 25.60083 -16.32806      31.11976 
1 1 1 2   21  0  o 71.91261 19.11777 136.9934       66.85315 0.000000       0.000000 136.9934       66.85315 ?        ?        71.91261 19.11777 0.000000       19.11777 
1 1 1 2   21  1  o 63.09724 22.32465 96.29153       84.12766 0.000000       0.000000 96.29153       84.12766 ?        ?        63.09724 22.32465 0.000000       22.32465 
1 1 1 2   21  2  o 43.99290 17.53590 28.87832       55.46351 0.000000       0.000000 28.87832       55.46351 ?        ?        43.99290 17.53590 0.000000       17.53590 
1 1 1 2   21  3  o 226.4838 11.35851 1259.178       122.5966 0.000000       0.000000 1259.178       122.5966 ?        ?        226.4838 11.35851 0.000000       11.35851 
1 1 1 2   21  4  o 148.0911 13.10002 545.2431       91.79340 0.000000       0.000000 545.2431       91.79340 ?        ?        148.0911 13.10002 0.000000       13.10002 
1 1 1 2   21  5  o 84.89276 17.24373 187.8388       67.59494 0.000000       0.000000 187.8388       67.59494 ?        ?        84.89276 17.24373 0.000000       17.24373 
1 1 1 2   21  6  o 73.28188 17.58028 141.2158       60.80203 0.000000       0.000000 141.2158       60.80203 ?        ?        73.28188 17.58028 0.000000       17.58028 
1 1 1 2   21  7  o 80.07008 16.82882 167.3276       62.37230 0.000000       0.000000 167.3276       62.37230 ?        ?        80.07008 16.82882 0.000000       16.82882 
1 1 1 2   21  8  o 101.0939 17.21724 265.2737       80.23453 0.000000       0.000000 265.2737       80.23453 ?        ?        101.0939 17.21724 0.000000       17.21724 
1 1 1 2   21  9  o 76.22684 16.94746 152.6519       60.16304 0.000000       0.000000 152.6519       60.16304 ?        ?        76.22684 16.94746 0.000000       16.94746 
1 1 1 2   21  10 o 178.6845 11.83495 790.5887       100.5327 0.000000       0.000000 790.5887       100.5327 ?        ?        178.6845 11.83495 0.000000       11.83495 
1 1 1 2   21  11 o 70.38031 23.42162 132.6981       92.19601 0.000000       0.000000 132.6981       92.19601 ?        ?        70.38031 23.42162 0.000000       23.42162 
1 1 1 2   21  12 o 62.12616 18.65963 102.2643       59.86026 0.000000       0.000000 102.2643       59.86026 ?        ?        62.12616 18.65963 0.000000       18.65963 
1 1 1 2   21  13 o 89.52124 24.79750 229.6930       109.7756 0.000000       0.000000 229.6930       109.7756 ?        ?        89.52124 24.79750 0.000000       24.79750 
1 1 1 2   21  14 o 65.45764 23.87158 108.9625       97.01507 0.000000       0.000000 108.9625       97.01507 ?        ?        65.45764 23.87158 0.000000       23.87158 
1 1 1 2   21  15 o 141.5160 15.80415 517.5405       105.1032 0.000000       0.000000 517.5405       105.1032 ?        ?        141.5160 15.80415 0.000000       15.80415 
1 1 1 2   21  16 o 67.88094 19.08464 126.4899       64.50405 0.000000       0.000000 126.4899       64.50405 ?        ?        67.88094 19.08464 0.000000       19.08464 
1 1 1 2   21  17 o 66.93913 19.45076 124.5035       65.93478 0.000000       0.000000 124.5035       65.93478 ?        ?        66.93913 19.45076 0.000000       19.45076 
1 1 1 2   21  18 o 124.7981 16.92378 416.4413       98.37530 0.000000       0.000000 416.4413       98.37530 ?        ?        124.7981 16.92378 0.000000       16.92378 
1 1 1 2   21  19 o 102.6738 17.52083 287.9592       82.92095 428.2673       148.1851 223.9967       100.0520 116.2412 27.15705 85.93490 23.62332 30.30633       35.99398 
1 1 1 2   22  0  o 117.7534 14.04451 352.5802       77.50901 0.000000       0.000000 352.5802       77.50901 ?        ?        117.7534 14.04451 0.000000       14.04451 
1 1 1 2   22  1  f 92.44318 17.72737 226.5277       75.49818 0.000000       0.000000 226.5277       75.49818 ?        ?        92.44318 17.72737 0.000000       17.72737 
1 1 1 2   22  2  o 154.1509 14.01619 600.6055       102.1679 0.000000       0.000000 600.6055       102.1679 ?        ?        154.1509 14.01619 0.000000       14.01619 
1 1 1 2   22  3  o 78.82027 22.18410 172.7076       87.10819 0.000000       0.000000 172.7076       87.10819 ?        ?        78.82027 22.18410 0.000000       22.18410 
1 1 1 2   22  4  o 191.4632 26.32191 1040.634       234.5712 0.000000       0.000000 1040.634       234.5712 ?        ?        191.4632 26.32191 0.000000       26.32191 
1 1 1 2   22  5  o 92.52525 21.22839 235.8722       91.90684 0.000000       0.000000 235.8722       91.90684 ?        ?        92.52525 21.22839 0.000000       21.22839 
1 1 1 2   22  6  o 139.8219 18.36467 515.1923       119.7979 0.000000       0.000000 515.1923       119.7979 ?        ?        139.8219 18.36467 0.000000       18.36467 
1 1 1 2   22  7  o 43.64323 18.62064 10.95293       68.54562 0.000000       0.000000 10.95293       68.54562 ?        ?        43.64323 18.62064 0.000000       18.62064 
1 1 1 2   22  8  o 260.5065 13.45800 1708.686       167.0447 0.000000       0.000000 1708.686       167.0447 ?        ?        260.5065 13.45800 0.000000       13.45800 
1 1 1 2   22  9  o 153.6064 12.47553 593.0146       90.82907 0.000000       0.000000 593.0146       90.82907 ?        ?        153.6064 12.47553 0.000000       12.47553 
1 1 1 2   22  10 o 127.5885 14.10392 416.8380       84.59745 0.000000       0.000000 416.8380       84.59745 ?        ?        127.5885 14.10392 0.000000       14.10392 
1 1 1 2   22  11 o 122.8771 14.64837 390.0573       84.36102 0.000000       0.000000 390.0573       84.36102 ?        ?        122.8771 14.64837 0.000000       14.64837 
1 1 1 2   22  12 f 208.7607 12.23082 1097.622       121.5363 0.000000       0.000000 1097.622       121.5363 ?        ?        208.7607 12.23082 0.000000       12.23082 
1 1 1 2   22  13 o 48.09683 20.76144 17.24965       87.08855 0.000000       0.000000 17.24965       87.08855 ?        ?        48.09683 20.76144 0.000000       20.76144 
1 1 1 2   22  14 o 104.6690 17.71783 298.0121       85.50186 0.000000       0.000000 298.0121       85.50186 ?        ?        104.6690 17.71783 0.000000       17.71783 
1 1 1 3   -20 0  o 217.3389 11.90904 1188.194       123.2707 1188.194       123.2707 0.000000       0.000000 217.3389 11.90904 ?        ?        0.000000       11.90904 
1 1 1 3   -20 1  o 148.2522 17.57050 587.2859       122.1172 587.2859       122.1172 0.000000       0.000000 148.2522 17.57050 ?        ?        0.000000       17.57050 
1 1 1 3   -19 0  o 92.46535 20.51591 232.6746       88.32201 232.6746       88.32201 0.000000       0.000000 92.46535 20.51591 ?        ?        0.000000       20.51591 
1 1 1 3   -19 1  o 66.08570 24.02028 109.6711       98.11185 109.6711       98.11185 0.000000       0.000000 66.08570 24.02028 ?        ?        0.000000       24.02028 
1 1 1 3   -19 2  o 76.49466 18.92374 157.7297       68.82140 157.7297       68.82140 0.000000       0.000000 76.49466 18.92374 ?        ?        0.000000       18.92374 
1 1 1 3   -19 3  o 51.42714 21.78977 24.10178       92.74461 24.10178       92.74461 0.000000       0.000000 51.42714 21.78977 ?        ?        0.000000       21.78977 
1 1 1 3   -19 4  o 126.5901 16.54065 415.2165       97.71400 415.2165       97.71400 0.000000       0.000000 126.5901 16.54065 ?        ?        0.000000       16.54065 
1 1 1 3   -19 5  o 52.48209 21.60938 39.93352       87.41131 39.93352       87.41131 0.000000       0.000000 52.48209 21.60938 ?        ?        0.000000       21.60938 
1 1 1 3   -19 6  o 73.36708 22.54811 150.1849       86.72836 150.1849       86.72836 0.000000       0.000000 73.36708 22.54811 ?        ?        0.000000       22.54811 
1 1 1 3   -19 7  o 113.5397 19.31750 347.7367       101.1075 347.7367       101.1075 0.000000       0.000000 113.5397 19.31750 ?        ?        0.000000       19.31750 
1 1 1 3   -19 8  o 91.80085 14.14140 217.5246       60.07525 270.9802       107.9754 193.5580       72.29894 97.06538 23.51772 84.43835 18.42829 12.62702       29.87783 
1 1 1 3   -19 9  o 87.65427 20.21386 213.6664       82.97919 92.90693       149.2157 267.7306       99.84093 67.16180 27.99477 97.22710 21.99508 -30.06530      35.60183 
1 1 1 3   -18 0  o 270.8965 10.42284 1790.211       134.7369 1790.211       134.7369 0.000000       0.000000 270.8965 10.42284 ?        ?        0.000000       10.42284 
1 1 1 3   -18 1  o 59.68200 22.68734 73.77676       89.40710 73.77676       89.40710 0.000000       0.000000 59.68200 22.68734 ?        ?        0.000000       22.68734 
1 1 1 3   -18 2  o 113.9306 15.59743 329.0334       82.72945 329.0334       82.72945 0.000000       0.000000 113.9306 15.59743 ?        ?        0.000000       15.59743 
1 1 1 3   -18 3  o 127.8731 13.74874 408.7177       82.73360 408.7177       82.73360 0.000000       0.000000 127.8731 13.74874 ?        ?        0.000000       13.74874 
1 1 1 3   -18 4  o 118.2673 20.04862 367.6189       109.3145 367.6189       109.3145 0.000000       0.000000 118.2673 20.04862 ?        ?        0.000000       20.04862 
1 1 1 3   -18 5  o 140.1140 14.77232 494.1708       97.46764 494.1708       97.46764 0.000000       0.000000 140.1140 14.77232 ?        ?        0.000000       14.77232 
1 1 1 3   -18 6  o 143.7408 14.95395 521.2590       101.2643 521.2590       101.2643 0.000000       0.000000 143.7408 14.95395 ?        ?        0.000000       14.95395 
1 1 1 3   -18 7  o 120.1515 12.76283 360.5889       72.19341 206.0530       125.6967 436.6601       88.18997 85.53767 27.27284 131.6817 14.23428 -46.14404      30.76398 
1 1 1 3   -18 8  o 38.25356 16.71088 -5.575658      57.83000 51.97356       79.50994 -70.21410      84.26498 53.53820 21.10548 38.77575 18.15640 14.76245       27.84056 
1 1 1 3   -18 9  o 80.00582 15.60043 166.0665       57.52709 285.1256       188.3361 153.8153       60.41439 96.89961 33.46343 76.45256 16.97150 20.44705       37.52110 
1 1 1 3   -18 10 o 124.7939 12.95733 390.3674       76.18275 598.0890       134.5899 292.4377       92.41212 151.0597 19.05955 104.9862 19.11548 46.07349       26.99385 
1 1 1 3   -18 11 o 185.0760 10.49511 843.6227       92.48296 848.8360       155.3293 840.7596       115.1102 180.4380 18.25692 183.1901 13.23244 -2.752136      22.54801 
1 1 1 3   -18 12 o 125.2732 13.94449 398.7641       82.10205 365.3603       178.3627 407.7447       92.48241 107.0449 32.22283 125.7095 15.73149 -18.66457      35.85792 
1 1 1 3   -18 13 o 77.71883 16.47877 160.4953       59.32727 284.0435       113.6281 114.1928       69.56165 99.29992 24.16670 64.87497 20.23688 34.42495       31.52080 
1 1 1 3   -18 14 o 89.08878 22.23171 225.6249       94.38084 502.7398       203.1863 149.3834       106.5762 122.6956 33.63926 72.68518 25.16947 50.01038       42.01311 
1 1 1 3   -17 0  o 209.5359 11.42111 1071.461       113.9804 1071.461       113.9804 0.000000       0.000000 209.5359 11.42111 ?        ?        0.000000       11.42111 
1 1 1 3   -17 1  o 82.86244 21.59312 181.0063       86.39308 181.0063       86.39308 0.000000       0.000000 82.86244 21.59312 ?        ?        0.000000       21.59312 
1 1 1 3   -17 2  o 125.6301 16.52329 397.4054       96.83917 397.4054       96.83917 0.000000       0.000000 125.6301 16.52329 ?        ?        0.000000       16.52329 
1 1 1 3   -17 3  o 182.2157 11.87144 812.5582       102.8553 812.5582       102.8553 0.000000       0.000000 182.2157 11.87144 ?        ?        0.000000       11.87144 
1 1 1 3   -17 4  o 156.7189 11.93001 602.1450       88.71457 602.1450       88.71457 0.000000       0.000000 156.7189 11.93001 ?        ?        0.000000       11.93001 
1 1 1 3   -17 5  o 135.6843 16.64368 463.3231       105.7074 463.3231       105.7074 0.000000       0.000000 135.6843 16.64368 ?        ?        0.000000       16.64368 
1 1 1 3   -17 6  o 189.6628 9.902065 874.2465       89.47662 948.7034       124.7878 795.4580       128.3662 196.2930 13.37710 178.9212 15.14878 17.37184       20.20971 
1 1 1 3   -17 7  o 60.34875 17.50236 93.11472       53.43300 88.45397       68.91820 100.1382       84.60207 60.31979 20.25338 64.62401 22.42261 -4.304222      30.21544 
1 1 1 3   -17 8  o 316.5249 11.28295 2444.188       170.4684 2511.337       220.1332 2343.600       269.4250 318.7857 14.48151 304.7403 18.58099 14.04544       23.55774 
1 1 1 3   -17 9  o 156.1804 11.00543 597.2586       81.64928 570.3458       141.5410 610.6807       99.95709 148.4022 20.49623 157.0315 13.44351 -8.629257      24.51170 
1 1 1 3   -17 10 o 154.1134 13.00817 588.3057       94.94991 337.5098       196.5356 664.6646       108.4454 106.8999 34.10480 163.4253 14.01500 -56.52541      36.87218 
1 1 1 3   -17 11 o 135.7274 12.52196 456.8098       80.33915 365.0413       120.1227 531.0795       108.0649 116.7222 22.33949 144.9294 15.85462 -28.20719      27.39383 
1 1 1 3   -17 12 o 39.58568 18.05943 -38.80316      75.76643 167.7842       158.1272 -100.3660      86.32053 80.86445 30.29642 36.90543 17.60221 43.95902       35.03870 
1 1 1 3   -17 13 o 96.17783 14.10386 234.5663       62.92556 220.3727       112.5596 241.0187       75.89263 88.68703 25.30504 96.29225 17.11242 -7.605225      30.54800 
1 1 1 3   -17 14 o 121.7393 13.31632 371.9176       76.24107 662.2744       199.3632 322.1797       82.51311 152.0375 28.47361 112.1236 15.83293 39.91393       32.57957 
1 1 1 3   -17 15 o 78.42144 21.22999 168.4941       81.53004 30.34609       198.2794 196.6043       89.44102 68.94739 30.50010 84.39645 21.95974 -15.44907      37.58306 
1 1 1 3   -17 16 o 54.70493 20.43025 67.66851       71.78987 -25.23243      128.7823 109.5536       86.47200 52.96049 23.91576 64.84573 22.65853 -11.88524      32.94500 
1 1 1 3   -17 17 o 124.4967 15.27872 400.1086       89.03515 508.3052       177.8593 363.9288       102.8496 128.7842 29.51966 116.2977 19.16492 12.48648       35.19524 
1 1 1 3   -16 0  o 136.4840 13.82821 458.5604       88.98730 458.5604       88.98730 0.000000       0.000000 136.4840 13.82821 ?        ?        0.000000       13.82821 
1 1 1 3   -16 1  o 203.1918 10.98716 1002.234       106.3363 1002.234       106.3363 0.000000       0.000000 203.1918 10.98716 ?        ?        0.000000       10.98716 
1 1 1 3   -16 2  o 112.0115 17.12992 315.5520       88.82281 315.5520       88.82281 0.000000       0.000000 112.0115 17.12992 ?        ?        0.000000       17.12992 
1 1 1 3   -16 3  o 313.5264 9.116753 2372.605       136.5090 2372.605       136.5090 0.000000       0.000000 313.5264 9.116753 ?        ?        0.000000       9.116753 
1 1 1 3   -16 4  o 101.4272 19.34575 263.4898       90.38749 263.4898       90.38749 0.000000       0.000000 101.4272 19.34575 ?        ?        0.000000       19.34575 
1 1 1 3   -16 5  o 160.7022 8.884116 624.6613       67.99094 720.8875       90.28987 498.6288       103.3318 172.1460 11.02870 141.7518 15.49978 30.39417       19.02302 
1 1 1 3   -16 6  o 160.1977 9.153968 621.4770       69.81721 594.3426       92.88537 656.7172       105.8537 155.7569 12.58056 163.4258 13.67327 -7.668884      18.58034 
1 1 1 3   -16 7  o 279.1271 10.16300 1888.233       135.3963 2124.284       181.3278 1590.775       203.5519 294.8719 12.89359 253.0923 16.91958 41.77960       21.27244 
1 1 1 3   -16 8  o 81.32409 14.44382 166.6568       54.10051 142.9355       150.8532 170.1581       57.95575 79.47803 29.62872 81.95011 15.35651 -2.472076      33.37190 
1 1 1 3   -16 9  o 109.9511 13.65116 300.0431       70.21857 238.6993       114.8050 336.7075       88.75604 94.49501 25.02127 115.6405 16.52305 -21.14550      29.98458 
1 1 1 3   -16 10 f 90.24789 15.41398 205.8851       64.11971 241.4324       178.0825 200.5903       68.72935 95.15639 32.55140 88.62815 16.83584 6.528244       36.64750 
1 1 1 3   -16 11 o 157.7477 11.26167 607.9917       84.37392 516.7928       129.5422 675.1855       111.1939 142.2693 19.56286 165.2524 14.21216 -22.98305      24.18039 
1 1 1 3   -16 12 o 251.4267 9.551005 1532.598       114.5984 1827.678       197.0798 1381.856       140.8605 271.7335 15.23113 237.5573 12.44601 34.17627       19.66953 
1 1 1 3   -16 13 o 188.4197 11.20427 867.5342       100.4737 882.0407       157.2554 857.5274       130.6088 186.9607 17.80812 185.8250 14.82426 1.135712       23.17084 
1 1 1 3   -16 14 o 103.3414 14.05178 267.9898       67.62793 320.7717       187.8471 260.1300       72.48856 105.1139 33.32015 101.3000 15.45629 3.813866       36.73050 
1 1 1 3   -16 15 o 162.7514 11.66091 652.1176       90.13179 526.0123       152.7029 719.5400       111.6562 139.9247 23.66998 170.0048 13.85778 -30.08017      27.42819 
1 1 1 3   -16 16 f 100.0542 16.91117 258.7074       78.01446 90.87589       133.0984 346.5457       96.28931 68.02122 27.14803 115.5990 18.00923 -47.57776      32.57833 
1 1 1 3   -16 17 o 48.26061 20.37440 17.88619       80.60537 219.0889       267.8680 -2.146585      84.52291 92.11159 37.86727 46.42182 20.24233 45.68977       42.93812 
1 1 1 3   -16 18 o 35.91941 16.90970 -69.69984      74.81037 -30.06557      164.3306 -80.06127      84.02193 59.50672 26.92991 37.74603 17.81576 21.76069       32.28965 
1 1 1 3   -16 19 o 79.24986 21.95166 174.7305       86.02640 271.4035       179.2887 145.8170       98.05068 93.34085 32.62573 72.77013 24.15196 20.57072       40.59256 
1 1 1 3   -16 20 o 107.9786 35.33723 399.8063       210.1595 399.8063       210.1595 0.000000       0.000000 107.9786 35.33723 ?        ?        0.000000       35.33723 
1 1 1 3   -15 0  o 121.4622 14.39608 364.3168       81.97401 364.3168       81.97401 0.000000       0.000000 121.4622 14.39608 ?        ?        0.000000       14.39608 
1 1 1 3   -15 1  o 193.8048 10.79076 910.4973       99.58797 910.4973       99.58797 0.000000       0.000000 193.8048 10.79076 ?        ?        0.000000       10.79076 
1 1 1 3   -15 2  o 182.8015 11.55782 812.0261       100.4927 812.0261       100.4927 0.000000       0.000000 182.8015 11.55782 ?        ?        0.000000       11.55782 
1 1 1 3   -15 3  o 28.90240 13.33691 -33.21953      42.95696 -33.21953      42.95696 0.000000       0.000000 28.90240 13.33691 ?        ?        0.000000       13.33691 
1 1 1 3   -15 4  o 47.58532 16.20080 51.61211       44.10223 1.339704       55.47320 137.9698       72.70580 39.30439 16.75978 73.37869 20.12437 -34.07431      26.18932 
1 1 1 3   -15 5  o 45.35625 17.65452 32.71902       55.04474 30.51651       84.97315 34.31153       72.25434 52.55954 21.43501 50.11780 20.00251 2.441734       29.31826 
1 1 1 3   -15 6  o 182.5794 10.50374 807.7275       91.29923 830.2980       138.6288 790.4393       121.3272 183.5365 15.95719 179.5986 14.24681 3.937912       21.39167 
1 1 1 3   -15 7  o 41.52184 14.97469 35.55384       38.03542 -20.97913      117.4807 42.17348       40.20064 53.68013 23.62274 44.01013 15.44415 9.670002       28.22332 
1 1 1 3   -15 8  o 108.2107 12.39290 287.5593       62.95853 178.2379       94.14853 375.9901       84.67643 82.94731 22.96026 123.3428 14.64507 -40.39550      27.23328 
1 1 1 3   -15 9  o 202.9062 10.11321 996.4527       97.79613 819.7332       164.9206 1092.295       121.4541 180.9598 19.36335 211.9303 12.03649 -30.97047      22.79948 
1 1 1 3   -15 10 o 32.62217 14.34744 -10.48539      43.27797 -29.20381      161.3000 -9.033339      44.92523 62.01254 27.46701 33.54808 14.69032 28.46446       31.14871 
1 1 1 3   -15 11 o 96.64583 13.72867 232.1683       61.65118 248.5241       95.98489 220.6820       80.43704 97.86412 21.13418 92.76366 18.78218 5.100464       28.27408 
1 1 1 3   -15 12 o 222.9329 9.705042 1203.417       103.1901 1180.906       180.4869 1214.348       125.7741 217.7480 17.48420 223.2573 11.82575 -5.509338      21.10796 
1 1 1 3   -15 13 o 108.1479 12.20347 288.0846       61.99655 256.5780       108.4988 303.3585       75.54387 98.52886 23.38575 110.3108 14.68904 -11.78191      27.61633 
1 1 1 3   -15 14 o 212.1121 10.55052 1093.533       106.6552 1160.046       204.4662 1068.670       125.0100 213.9046 20.23421 208.9600 12.57148 4.944626       23.82153 
1 1 1 3   -15 15 o 137.4808 12.47166 464.7176       81.08273 488.3374       135.5451 451.5555       101.1828 137.5061 21.30713 134.2887 16.07938 3.217468       26.69345 
1 1 1 3   -15 16 o 46.99665 19.84669 11.84913       76.52109 288.7584       219.9541 -26.28046      81.61960 102.2887 36.10633 43.22762 19.31793 59.06104       40.94936 
1 1 1 3   -15 17 o 53.00539 20.64261 49.90215       75.28561 86.07674       155.5462 38.83515       86.03445 71.45771 29.05368 53.33919 21.63684 18.11852       36.22526 
1 1 1 3   -15 18 o 226.6376 11.08026 1257.848       119.6939 1218.341       232.3866 1272.113       139.6414 214.8729 22.97776 226.9542 12.92309 -12.08125      26.36255 
1 1 1 3   -15 19 o 35.25139 16.77144 -87.87070      77.37035 -16.24480      169.9516 -106.5962      86.89745 62.28534 27.85225 36.59871 17.51179 25.68664       32.90001 
1 1 1 3   -15 20 o 131.6940 16.89832 445.3951       103.9454 314.2632       260.9166 470.1335       113.3269 101.0243 38.67077 134.7185 18.04902 -33.69424      42.67547 
1 1 1 3   -15 21 o 100.3942 16.95823 262.9428       78.49882 115.2119       331.6261 271.7116       80.79496 86.43407 38.75939 101.9811 17.18134 -15.54700      42.39680 
1 1 1 3   -15 22 f 55.14992 20.43978 70.20069       71.59542 -73.38611      205.1353 90.11736       76.39967 61.57835 28.66609 59.91422 21.26722 1.664135       35.69369 
1 1 1 3   -14 0  o 150.6819 11.45177 551.5188       81.87990 551.5188       81.87990 0.000000       0.000000 150.6819 11.45177 ?        ?        0.000000       11.45177 
1 1 1 3   -14 1  o 330.5753 11.68293 2643.983       184.3517 2643.983       184.3517 0.000000       0.000000 330.5753 11.68293 ?        ?        0.000000       11.68293 
1 1 1 3   -14 2  o 246.3755 10.76994 1467.184       126.5519 1467.184       126.5519 0.000000       0.000000 246.3755 10.76994 ?        ?        0.000000       10.76994 
1 1 1 3   -14 3  o 68.84473 17.99675 120.4747       59.88738 120.4747       59.88738 0.000000       0.000000 68.84473 17.99675 ?        ?        0.000000       17.99675 
1 1 1 3   -14 4  o 297.0246 7.372263 2118.303       104.6892 2133.134       140.5669 2099.831       156.8781 297.3742 9.900964 294.6834 11.15534 2.690765       14.91545 
1 1 1 3   -14 5  o 364.2321 7.352222 3185.512       128.0281 3295.723       175.8837 3061.303       186.7199 369.6593 9.961196 355.9175 10.98635 13.74179       14.82987 
1 1 1 3   -14 6  f 58.88760 18.05494 85.54865       55.64887 1.661463       106.6615 116.9237       65.23070 53.86526 23.11036 67.94601 19.22285 -14.08076      30.06005 
1 1 1 3   -14 7  o 434.2153 8.036044 4532.144       166.8230 4206.606       247.2056 4804.363       226.0569 416.5488 12.42711 446.1519 10.59807 -29.60315      16.33254 
1 1 1 3   -14 8  o 273.3506 9.456965 1802.302       123.4030 1768.087       224.8593 1817.049       147.6195 267.7809 17.66261 273.9464 11.29541 -6.165558      20.96555 
1 1 1 3   -14 9  o 334.5488 13.60386 2724.066       217.1317 2752.156       312.6725 2697.902       301.7595 333.0304 19.72638 330.0344 19.20765 2.995972       27.53296 
1 1 1 3   -14 10 o 376.1984 10.91334 3422.420       196.0756 3571.096       238.8186 3114.924       343.4528 383.3477 13.04970 353.8469 20.38853 29.50079       24.20717 
1 1 1 3   -14 11 o 273.4127 8.753386 1801.214       114.2729 1900.328       186.0713 1741.195       144.7956 279.1483 13.98691 268.0998 11.32216 11.04849       17.99514 
1 1 1 3   -14 12 o 73.27545 14.41061 135.1246       48.68370 68.94775       90.07067 162.4373       57.86445 60.22270 22.79943 80.23466 15.64709 -20.01196      27.65223 
1 1 1 3   -14 13 o 82.29191 14.93522 170.1122       56.59597 416.4008       156.4778 133.0441       60.70578 125.6624 26.86032 72.13891 17.72968 53.52353       32.18413 
1 1 1 3   -14 14 o 139.1050 11.85354 472.4284       78.08112 513.8110       128.7392 448.3477       98.20551 142.7585 19.36110 134.4717 15.56246 8.286804       24.84034 
1 1 1 3   -14 15 o 210.6171 12.24858 1081.784       122.8031 1041.094       203.5154 1105.082       153.9984 202.6114 21.32953 211.7144 15.31807 -9.103058      26.26009 
1 1 1 3   -14 16 o 196.6452 11.64180 942.3887       108.9593 1161.021       188.7997 833.2059       133.4202 215.3367 18.51866 183.5570 15.34369 31.77963       24.04932 
1 1 1 3   -14 17 o 127.7645 12.56302 401.5951       75.74694 754.7405       167.1955 310.3932       84.96687 172.0219 20.74833 110.9680 16.51840 61.05387       26.52076 
1 1 1 3   -14 18 o 33.40531 14.93628 -18.61641      48.86102 33.04355       268.1914 -20.38999      49.69268 81.99961 35.90014 33.45631 15.00314 48.54330       38.90905 
1 1 1 3   -14 19 o 151.1760 13.09877 563.6388       93.73876 600.7781       168.0456 546.8624       112.9432 150.9494 24.09525 147.6807 16.26567 3.268692       29.07151 
1 1 1 3   -14 20 f 218.9635 12.13124 1177.508       126.4982 1583.334       215.9123 965.4008       156.0937 250.0119 18.18816 195.7693 16.84108 54.24263       24.78772 
1 1 1 3   -14 21 o 117.9237 18.74641 361.3287       102.1549 460.0084       165.2471 300.2901       129.9638 127.8378 27.82888 103.6551 26.21309 24.18267       38.23052 
1 1 1 3   -14 22 o 118.2609 30.74031 412.8940       175.3836 412.8940       175.3836 0.000000       0.000000 118.2609 30.74031 ?        ?        0.000000       30.74031 
1 1 1 3   -14 23 o 159.5916 15.44013 646.7594       116.3368 730.5494       345.3648 636.0349       123.5578 139.2825 45.28121 157.5091 16.66024 -18.22658      48.24886 
1 1 1 3   -14 24 o 51.95652 24.29821 -88.82806      150.1426 -333.9279      339.5363 -29.25171      167.3986 66.20085 32.36073 59.27839 26.96599 6.922466       42.12341 
1 1 1 3   -14 25 o 53.89495 23.66829 10.01161       117.3763 -476.0811      359.0377 68.18015       124.2008 62.97994 31.25107 61.80930 25.63335 1.170639       40.41903 
1 1 1 3   -13 0  o 238.8976 9.708314 1375.501       110.6517 1375.501       110.6517 0.000000       0.000000 238.8976 9.708314 ?        ?        0.000000       9.708314 
1 1 1 3   -13 1  f 247.9746 11.08355 1485.409       131.0676 1485.409       131.0676 0.000000       0.000000 247.9746 11.08355 ?        ?        0.000000       11.08355 
1 1 1 3   -13 2  o 211.5574 9.712697 1079.147       97.97520 1079.147       97.97520 0.000000       0.000000 211.5574 9.712697 ?        ?        0.000000       9.712697 
1 1 1 3   -13 3  o 131.8599 8.833748 419.7337       55.36732 416.1212       71.63603 425.0935       87.25712 130.8314 11.57199 131.7276 14.07305 -0.8962097     18.21981 
1 1 1 3   -13 4  o 127.1488 9.297414 390.8331       56.12683 368.4063       76.18712 417.4505       83.00047 122.7179 13.19263 130.6539 13.48105 -7.935905      18.86224 
1 1 1 3   -13 5  o 210.2774 8.199821 1063.594       82.27576 1080.580       119.2170 1048.147       113.6906 211.2420 11.85209 208.1231 11.47040 3.118896       16.49370 
1 1 1 3   -13 6  o 207.7872 9.073936 1040.147       89.92378 1062.567       141.6881 1025.026       116.3623 208.8397 14.27683 205.6993 11.88293 3.140381       18.57504 
1 1 1 3   -13 7  o 331.2712 8.207833 2636.304       129.9932 2662.879       195.9392 2615.412       173.7337 331.6722 12.37846 329.1143 11.05722 2.557922       16.59784 
1 1 1 3   -13 8  o 235.2290 9.203736 1333.072       103.3057 1288.058       168.9473 1359.953       130.5569 229.5858 15.48264 237.0649 11.55405 -7.479156      19.31860 
1 1 1 3   -13 9  o 201.8430 9.601109 982.8786       92.38396 1097.127       159.6882 925.4042       113.2624 211.6469 15.89785 195.2865 12.19206 16.36041       20.03467 
1 1 1 3   -13 10 o 98.09051 12.23226 236.1909       56.12118 268.1589       105.0000 223.4061       66.40174 102.1211 22.14535 94.69334 15.18004 7.427795       26.84865 
1 1 1 3   -13 11 o 147.5631 10.64196 528.0037       74.57285 567.4720       116.4595 500.5736       97.08773 151.6080 16.32431 142.8068 14.41745 8.801208       21.77949 
1 1 1 3   -13 12 o 123.0953 12.29695 370.3758       71.40066 376.9104       145.8741 368.3170       81.87949 120.0392 26.15910 122.2862 14.27329 -2.247063      29.79976 
1 1 1 3   -13 13 o 153.4837 10.95648 571.8494       79.86860 684.1383       129.7232 503.2990       101.3571 166.4343 16.52080 142.9451 15.05710 23.48921       22.35292 
1 1 1 3   -13 14 o 119.8304 12.93914 352.2166       72.95368 438.8494       170.3622 332.7625       80.73033 128.7314 28.44019 115.9501 14.90776 12.78130       32.11052 
1 1 1 3   -13 15 o 59.46450 16.61851 89.14245       49.06580 200.8692       107.4069 59.67777       55.15748 87.95065 24.59074 51.84330 18.09783 36.10735       30.53254 
1 1 1 3   -13 16 o 211.6932 11.72285 1088.194       118.1815 1475.561       251.5847 978.5138       133.8711 242.1903 21.96665 200.0072 14.09033 42.18311       26.09734 
1 1 1 3   -13 17 o 214.1980 11.61434 1114.918       118.4925 1269.365       208.0844 1040.804       144.1461 225.3750 19.50368 205.9078 14.74023 19.46716       24.44725 
1 1 1 3   -13 18 o 132.8445 16.31819 440.4514       101.4645 471.5884       173.5896 424.2929       125.0505 132.4986 28.26571 128.6046 21.06738 3.893982       35.25316 
1 1 1 3   -13 19 o 222.7006 12.36584 1210.987       131.1429 1479.168       255.1293 1114.681       152.8873 240.6810 22.43053 212.5161 15.14703 28.16481       27.06587 
1 1 1 3   -13 20 o 134.2141 15.45656 449.0952       97.36993 175.0810       245.6196 500.1867       106.0597 91.88056 36.80886 141.5469 15.95001 -49.66630      40.11602 
1 1 1 3   -13 21 o 148.0539 13.53206 541.2901       94.72593 560.8479       173.6978 533.0114       113.0099 144.9155 26.02751 145.7927 16.50320 -0.8772430     30.81861 
1 1 1 3   -13 22 o 198.9142 13.51948 977.4233       127.8043 1014.648       221.1429 958.7551       156.6059 196.1003 24.09354 195.2183 16.94725 0.8820648      29.45689 
1 1 1 3   -13 23 o 152.0189 14.24903 577.5632       102.3528 670.8403       199.0922 544.0540       119.3296 155.2952 27.83823 145.9518 17.44652 9.343384       32.85343 
1 1 1 3   -13 24 o 160.8453 17.46098 663.0110       132.1203 535.3922       225.6141 729.6165       162.9911 131.3687 35.20931 166.4639 20.94271 -35.09514      40.96697 
1 1 1 3   -13 25 o 170.7400 20.96317 774.1184       167.5329 859.5074       241.8779 695.3792       232.2688 170.9950 30.71614 151.0842 33.07546 19.91074       45.13831 
1 1 1 3   -13 26 o 66.92618 25.79481 106.8440       116.6415 187.7309       229.5267 78.68217       135.4329 84.24682 34.88422 65.13930 26.86730 19.10752       44.03136 
1 1 1 3   -12 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -12 2  o 142.8452 10.72975 493.8013       72.74076 493.8013       72.74076 0.000000       0.000000 142.8452 10.72975 ?        ?        0.000000       10.72975 
1 1 1 3   -12 3  f 443.7424 6.522974 4719.019       138.3837 4648.423       174.5168 4838.592       227.1258 440.0638 8.294940 448.3913 10.59500 -8.327515      13.45586 
1 1 1 3   -12 4  o 223.0672 9.015831 1197.302       95.95203 1303.791       165.3859 1143.271       117.8055 231.4799 15.02553 217.5445 11.36628 13.93542       18.84035 
1 1 1 3   -12 5  o 420.6318 15.56396 4299.102       312.4503 4475.868       443.5598 4125.001       440.2023 425.8841 21.85786 408.3454 22.63701 17.53870       31.46745 
1 1 1 3   -12 6  f 331.5099 8.098778 2638.057       128.3584 2537.436       190.7997 2721.245       173.4855 324.0081 12.33980 335.9789 10.81456 -11.97086      16.40809 
1 1 1 3   -12 7  o 137.3919 11.48901 458.1819       74.77583 479.5665       127.7564 447.0386       92.22285 138.5901 19.84743 135.0898 14.50631 3.500244       24.58360 
1 1 1 3   -12 8  o 156.1485 10.69060 589.9124       79.32687 753.6468       146.6127 522.1381       94.32656 174.9057 17.77998 146.2880 13.64441 28.61766       22.41199 
1 1 1 3   -12 9  o 300.7780 8.809199 2175.646       126.5385 1906.810       205.6556 2339.429       160.5211 279.8038 15.43348 311.4388 10.79713 -31.63495      18.83535 
1 1 1 3   -12 10 o 287.7884 8.711513 1991.886       119.7222 2163.167       195.2174 1888.631       151.5724 298.6027 13.71125 279.6262 11.36159 18.97653       17.80686 
1 1 1 3   -12 11 o 40.03065 15.51242 25.16974       42.35192 -137.3844      127.8205 45.21673       44.88755 46.42363 21.93038 46.05938 16.30615 0.3642502      27.32823 
1 1 1 3   -12 12 o 300.4821 9.555324 2174.873       137.0945 1990.839       260.7663 2245.170       161.1649 284.1392 19.31080 304.9086 11.07425 -20.76938      22.26086 
1 1 1 3   -12 13 o 56.82578 17.35981 79.34280       51.50603 13.57740       154.6599 87.54654       54.62413 65.56870 27.97251 59.44222 17.81830 6.126476       33.16554 
1 1 1 3   -12 14 o 151.9413 12.07412 561.6649       86.98736 596.1616       133.4571 536.1836       114.6999 154.8528 18.38501 147.2958 16.57526 7.556961       24.75375 
1 1 1 3   -12 15 o 79.48358 21.42851 162.1648       83.26884 180.7271       130.6220 149.4575       108.0757 85.10885 27.85941 77.81409 25.33281 7.294762       37.65499 
1 1 1 3   -12 16 o 292.3975 13.19717 2078.704       184.0102 2124.716       276.9888 2042.357       246.1856 292.5186 19.92511 287.7649 17.98428 4.753723       26.84110 
1 1 1 3   -12 17 o 163.2383 14.36037 653.2907       110.9306 329.6543       255.0828 728.7723       123.1894 112.2826 38.93595 172.2532 15.11176 -59.97062      41.76570 
1 1 1 3   -12 18 o 249.4620 12.59053 1512.600       149.6753 1510.948       229.3553 1513.825       197.5364 246.4538 19.62750 247.9962 16.75915 -1.542358      25.80907 
1 1 1 3   -12 19 o 95.81576 17.18246 231.9854       75.81853 -101.2171      144.7974 357.8506       88.99376 52.73471 24.38799 119.9241 15.91435 -67.18941      29.12114 
1 1 1 3   -12 20 o 211.4679 13.25095 1093.632       133.2942 947.3853       256.0339 1148.008       156.1199 188.7518 29.32392 215.9144 15.22161 -27.16267      33.03921 
1 1 1 3   -12 21 o 84.51281 26.03173 186.7461       115.5180 434.8991       263.6438 127.7852       128.5108 122.6599 39.53745 75.03971 27.45760 47.62020       48.13657 
1 1 1 3   -12 22 f 193.9132 13.34612 923.3593       122.9742 898.6639       212.9591 935.7136       150.6256 185.6101 24.60403 193.9194 16.40048 -8.309265      29.56914 
1 1 1 3   -12 23 o 97.87124 24.99507 257.5226       117.3540 310.2201       182.1653 220.1365       153.4355 105.2461 32.73576 90.89996 30.21408 14.34611       44.54796 
1 1 1 3   -12 24 o 148.2107 16.04493 552.2438       111.8801 526.0084       204.4951 563.4512       133.6577 135.3842 32.08726 148.1367 19.33307 -12.75247      37.46144 
1 1 1 3   -12 25 f 92.92026 22.88063 234.6967       100.9593 186.9012       220.0018 247.4472       113.6306 87.75929 34.94367 94.66336 24.81123 -6.904068      42.85624 
1 1 1 3   -12 26 o 72.26972 24.16530 138.0048       98.12326 25.69875       224.1656 164.6234       109.1340 72.80590 32.30688 77.83799 25.46414 -5.032089      41.13583 
1 1 1 3   -12 27 o 81.41631 29.12026 184.8620       143.5008 217.8817       237.9155 165.9801       179.9111 89.10371 36.04010 80.61750 31.75785 8.486206       48.03592 
1 1 1 3   -12 28 f 39.94571 18.90796 -88.66019      95.91038 -150.0833      244.1716 -77.45415      104.2930 62.27142 29.67379 42.95616 20.14122 19.31526       35.86367 
1 1 1 3   -11 0  o 706.0345 12.25421 11996.21       413.6371 11996.21       413.6371 0.000000       0.000000 706.0345 12.25421 ?        ?        0.000000       12.25421 
1 1 1 3   -11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -11 11 o 355.4521 11.05822 3046.466       187.6922 0.000000       0.000000 3046.466       187.6922 ?        ?        355.4521 11.05822 0.000000       11.05822 
1 1 1 3   -11 12 o 211.0003 15.23251 1085.615       152.6263 0.000000       0.000000 1085.615       152.6263 ?        ?        211.0003 15.23251 0.000000       15.23251 
1 1 1 3   -11 13 o 263.3980 10.01528 1671.878       125.8902 1565.510       202.3691 1739.026       160.7892 253.0126 16.82552 268.0267 12.58301 -15.01414      21.01024 
1 1 1 3   -11 14 o 312.5858 13.29499 2368.507       198.2314 2369.240       286.9362 2367.839       274.1816 310.2089 19.44522 310.5199 18.55348 -0.3110046     26.87654 
1 1 1 3   -11 15 o 114.5443 19.87253 331.0489       104.8827 270.9255       228.3970 347.1156       118.0678 105.0033 36.81501 116.7501 21.95846 -11.74677      42.86629 
1 1 1 3   -11 16 o 117.7867 17.45269 346.1002       95.31113 432.7800       153.6633 291.9009       121.5089 129.3120 25.76068 106.1345 24.45017 23.17753       35.51653 
1 1 1 3   -11 17 o 205.8002 13.08290 1030.419       128.0573 1001.072       249.1321 1040.957       149.2888 197.3497 27.12146 206.2149 15.25046 -8.865128      31.11511 
1 1 1 3   -11 18 o 310.2870 10.90109 2327.534       161.4606 2694.826       300.5187 2178.485       191.4382 330.1552 19.12085 299.3119 13.41223 30.84329       23.35583 
1 1 1 3   -11 19 o 214.4076 12.68347 1118.167       129.4321 1079.000       200.4119 1146.193       169.5289 207.7830 20.43888 215.7965 16.55852 -8.013580      26.30461 
1 1 1 3   -11 20 f 446.2521 13.52921 4842.458       288.3097 4754.435       347.3707 5037.340       516.8713 440.3405 16.52981 446.8639 24.28477 -6.523376      29.37660 
1 1 1 3   -11 21 o 255.6343 14.36195 1597.688       174.8199 1649.661       299.5673 1570.847       215.2797 254.2141 24.97012 251.8864 17.99535 2.327698       30.77888 
1 1 1 3   -11 22 o 237.0980 13.66045 1375.629       154.1909 1680.936       244.7916 1174.826       198.5238 258.9133 19.92903 216.5019 19.38464 42.41139       27.80163 
1 1 1 3   -11 23 o 246.1398 13.78995 1485.497       161.6266 1537.944       255.4339 1450.477       208.7246 245.8404 21.96397 240.9631 18.25398 4.877319       28.55913 
1 1 1 3   -11 24 o 172.9014 14.27476 738.0104       116.9480 876.1883       189.3584 652.8051       148.6958 184.7844 21.85702 160.1979 19.83840 24.58646       29.51764 
1 1 1 3   -11 25 o 70.04269 23.29208 122.8802       91.18265 65.05780       158.3802 151.5476       111.5184 69.97064 28.97568 77.06980 25.76184 -7.099159      38.77193 
1 1 1 3   -11 26 o 114.9675 23.83158 356.2061       126.6841 204.3021       178.1116 511.7343       180.2239 88.25340 32.31981 135.2686 28.75470 -47.01525      43.25971 
1 1 1 3   -11 27 o 134.1793 17.61084 462.9124       110.2484 573.5452       250.8782 436.4340       122.7346 134.3445 37.58998 128.5923 20.66368 5.752274       42.89516 
1 1 1 3   -11 28 o 90.97142 30.12773 240.2767       152.5953 70.47916       345.9877 281.2817       170.0252 86.25422 39.05103 97.07002 31.78546 -10.81580      50.35175 
1 1 1 3   -11 29 o 90.09794 24.73977 232.7527       109.8030 346.8205       371.6683 221.8448       114.9332 100.6424 43.15913 87.55138 25.74792 13.09106       50.25600 
1 1 1 3   -11 30 f 51.36956 22.36603 12.46744       102.8582 -98.23946      647.2734 15.33548       104.1820 87.88670 43.30475 51.97083 22.56985 35.91586       48.83339 
1 1 1 3   -10 0  o 244.2904 9.065263 1432.413       105.6918 1432.413       105.6918 0.000000       0.000000 244.2904 9.065263 ?        ?        0.000000       9.065263 
1 1 1 3   -10 1  o 320.1247 10.29231 2460.917       157.3170 2460.917       157.3170 0.000000       0.000000 320.1247 10.29231 ?        ?        0.000000       10.29231 
1 1 1 3   -10 2  o 349.6451 7.109615 2927.378       118.8453 3060.061       167.8119 2793.867       168.3345 357.0668 9.839640 341.0987 10.33441 15.96805       14.26950 
1 1 1 3   -10 3  o 187.8868 8.783968 847.9616       78.68492 740.0402       126.1332 916.7162       100.6761 174.5930 15.26439 195.1341 10.83411 -20.54106      18.71843 
1 1 1 3   -10 4  o 227.4371 8.759244 1241.757       95.06568 1164.261       165.0986 1280.196       116.2766 219.1432 15.86565 230.7164 10.56965 -11.57326      19.06400 
1 1 1 3   -10 5  o 271.2375 9.512482 1766.758       123.1627 1799.364       152.7093 1706.080       208.3229 273.4106 11.70978 265.3039 16.50599 8.106781       20.23775 
1 1 1 3   -10 6  o 311.8576 9.160809 2334.452       136.4356 2365.197       270.5728 2323.970       157.9921 312.0239 18.21718 310.9319 10.64394 1.091949       21.09879 
1 1 1 3   -10 7  o 342.9038 10.24889 2825.355       167.8301 2781.829       197.5951 2938.070       317.9753 339.8876 12.17966 347.4540 19.21686 -7.566406      22.75153 
1 1 1 3   -10 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -10 9  o 75.30840 16.46706 142.4763       57.63206 276.5313       92.15027 56.35669       73.85949 105.1442 19.03219 55.25885 20.70521 49.88533       28.12348 
1 1 1 3   -10 10 o 240.5250 9.593867 1391.332       110.1007 1551.159       191.9579 1312.974       134.4071 252.6773 15.97200 233.2226 12.09566 19.45464       20.03522 
1 1 1 3   -10 11 o 193.4239 10.63853 902.3105       97.99967 1021.905       150.1549 813.5665       129.3463 204.9227 15.44000 182.8305 14.92761 22.09216       21.47620 
1 1 1 3   -10 12 o 46.62467 17.20408 41.89040       50.62330 -12.75102      88.79749 68.20069       61.61727 47.77348 20.79098 55.39989 19.14017 -7.626408      28.25971 
1 1 1 3   -10 13 o 241.8988 10.34834 1410.260       119.4011 1646.971       195.0900 1268.486       150.9813 260.1005 15.76263 228.6371 13.87772 31.46347       21.00123 
1 1 1 3   -10 14 o 267.0272 12.79166 1725.779       162.8268 1668.459       244.5710 1771.412       218.2193 260.3134 19.80023 269.2702 17.03841 -8.956787      26.12196 
1 1 1 3   -10 15 o 241.6266 12.42918 1413.216       143.0980 1484.621       222.3916 1362.764       186.9371 245.6373 19.08688 236.0902 16.66902 9.547119       25.34098 
1 1 1 3   -10 16 o 262.5438 11.57970 1665.730       144.9899 2178.076       248.0305 1399.771       178.7028 298.3249 17.46672 239.5193 15.69209 58.80559       23.48037 
1 1 1 3   -10 17 o 335.2496 10.51868 2710.420       168.3837 3014.651       266.0299 2507.069       217.4959 351.6497 15.86469 321.2547 14.19603 30.39508       21.28887 
1 1 1 3   -10 18 o 80.55866 20.66824 166.0258       79.98721 153.7744       133.7141 172.8528       99.81556 81.06494 28.18575 82.33942 23.93379 -1.274475      36.97652 
1 1 1 3   -10 19 o 72.21928 21.81977 130.9397       81.67738 66.64424       134.4858 168.5147       102.8101 68.01188 27.24029 81.41206 24.45453 -13.40018      36.60679 
1 1 1 3   -10 20 o 290.1996 14.16943 2052.080       195.9940 1960.459       295.1019 2124.392       262.1667 279.7836 22.24483 293.1903 18.80247 -13.40674      29.12671 
1 1 1 3   -10 21 o 101.7645 38.84385 231.5840       262.7697 231.5840       262.7697 0.000000       0.000000 101.7645 38.84385 ?        ?        0.000000       38.84385 
1 1 1 3   -10 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -10 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -10 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -10 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -10 26 o 111.1535 32.01097 346.4654       179.3195 346.4654       179.3195 0.000000       0.000000 111.1535 32.01097 ?        ?        0.000000       32.01097 
1 1 1 3   -10 27 o 50.33607 23.08759 -67.52706      126.0454 -147.5369      185.4317 1.193210       171.8521 56.75921 26.68985 65.32082 28.66385 -8.561615      39.16586 
1 1 1 3   -10 28 o 117.3036 21.85698 366.6369       118.0684 474.5563       359.0561 353.5529       125.0209 118.5163 45.36476 114.1714 23.68159 4.344826       51.17401 
1 1 1 3   -10 29 o 57.43934 23.92226 41.06830       108.8276 602.1196       624.2403 23.48171       110.5201 120.6014 53.69044 55.49108 23.65896 65.11028       58.67205 
1 1 1 3   -10 30 o 117.0371 24.28996 383.3655       131.4568 131.0876       668.2360 393.5216       134.0768 99.92500 48.00921 118.4854 24.47930 -18.56039      53.88989 
1 1 1 3   -10 31 o 72.04561 30.58462 101.9587       183.3160 41.16548       426.7248 115.7169       203.0022 84.45338 39.94777 74.96503 32.01615 9.488342       51.19431 
1 1 1 3   -9  0  o 376.5527 7.329470 3394.327       131.9492 3394.327       131.9492 0.000000       0.000000 376.5527 7.329470 ?        ?        0.000000       7.329470 
1 1 1 3   -9  1  o 523.2665 7.361452 6554.713       184.1598 6524.435       191.6731 6918.378       664.2683 522.0231 7.680031 532.5096 26.17220 -10.48651      27.27576 
1 1 1 3   -9  2  o 466.5536 6.948891 5210.088       154.9977 5133.078       211.5530 5299.334       227.7409 462.8247 9.560802 470.1894 10.13118 -7.364685      13.93017 
1 1 1 3   -9  3  o 347.3907 13.52442 2903.454       224.1891 2868.988       317.6582 2937.658       316.4478 344.1559 19.38454 348.3347 19.07470 -4.178741      27.19567 
1 1 1 3   -9  4  o 413.8832 15.43965 4127.381       304.9731 3990.650       431.7838 4263.497       430.8121 405.2011 22.37570 419.1031 21.57360 -13.90198      31.08203 
1 1 1 3   -9  5  o 547.9973 9.893205 7198.412       259.1933 7213.837       710.8391 7196.047       278.3575 542.9235 27.47504 547.7906 10.62870 -4.867065      29.45925 
1 1 1 3   -9  6  o 363.9207 13.97535 3188.565       242.7001 3216.343       344.7176 3161.262       341.7612 364.1883 19.87367 361.0468 19.87603 3.141510       28.10728 
1 1 1 3   -9  7  o 259.5797 7.782395 1615.166       96.47208 1617.249       146.2298 1613.561       128.3722 259.2810 11.82775 259.1728 10.38132 0.1081543      15.73745 
1 1 1 3   -9  8  o 169.7292 9.879612 693.1637       79.82215 684.7068       117.9900 700.3006       108.3911 167.9967 14.84301 170.1362 13.43460 -2.139481      20.02008 
1 1 1 3   -9  9  o 527.9077 10.04315 6685.684       253.4756 6076.456       645.7359 6796.657       275.5961 496.9714 27.28252 532.1158 10.83324 -35.14441      29.35464 
1 1 1 3   -9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -9  11 f 191.9841 10.78047 888.0413       98.55149 1005.481       149.1696 797.0768       131.2832 203.5234 15.44587 181.1037 15.30576 22.41975       21.74492 
1 1 1 3   -9  12 o 116.3815 12.32336 329.5365       67.52750 264.2112       104.0575 377.0606       88.75430 102.1655 21.95803 124.0413 15.28952 -21.87584      26.75676 
1 1 1 3   -9  13 o 169.9312 11.84135 698.2817       95.59980 570.0090       138.7012 814.3686       131.9485 151.8348 19.56137 182.9351 15.22475 -31.10033      24.78790 
1 1 1 3   -9  14 o 379.2399 11.84467 3466.917       214.4927 3334.569       255.7641 3780.648       393.7859 371.1699 14.44069 392.5680 21.05859 -21.39807      25.53424 
1 1 1 3   -9  15 o 112.7823 13.70685 311.7110       72.39165 438.2810       116.0059 230.9868       92.64388 132.8303 18.79145 95.33733 20.90300 37.49294       28.10790 
1 1 1 3   -9  16 o 161.5095 15.16543 637.6852       115.7311 646.1396       191.4473 632.8166       145.2813 159.3119 26.03414 159.7714 19.41784 -0.4595184     32.47813 
1 1 1 3   -9  17 o 369.0335 10.75980 3282.373       189.6332 3044.841       366.8958 3368.958       221.5158 350.8683 21.98254 373.3641 12.42709 -22.49579      25.25202 
1 1 1 3   -9  18 o 119.5814 14.60754 351.6045       81.78047 260.8907       132.1157 407.9549       104.1278 100.3097 26.96913 128.2407 17.43480 -27.93095      32.11396 
1 1 1 3   -9  19 o 477.3480 12.77831 5514.014       291.3573 5454.923       338.0822 5684.572       574.3776 473.7222 14.94631 476.3242 25.31330 -2.602051      29.39651 
1 1 1 3   -9  20 o 288.2358 13.49317 2017.380       185.4229 1961.710       273.7019 2064.604       252.0851 281.3884 20.48558 289.7291 18.29234 -8.340729      27.46396 
1 1 1 3   -9  21 o 82.91886 25.03579 175.1331       107.5541 69.55567       149.5674 288.1904       154.7751 70.88210 28.60925 104.5436 29.62166 -33.66146      41.18170 
1 1 1 3   -9  22 o 103.0421 18.41389 268.4241       87.38326 363.8578       146.3487 215.5499       108.9330 117.7128 26.62982 91.03984 24.49418 26.67298       36.18166 
1 1 1 3   -9  23 o 267.6921 12.53963 1740.570       160.0368 1306.388       250.4995 2039.998       208.0254 227.2881 23.38605 288.8355 15.11722 -61.54742      27.84668 
1 1 1 3   -9  24 o 171.4638 14.25741 720.6985       115.8185 820.3583       183.7762 655.0384       149.1696 180.1933 21.77351 161.5799 19.71806 18.61337       29.37495 
1 1 1 3   -9  25 o 207.4453 14.92243 1057.869       147.0077 955.5594       210.3379 1155.570       205.5454 193.3719 23.21544 214.4264 20.29172 -21.05447      30.83359 
1 1 1 3   -9  26 o 264.4943 15.85145 1727.998       199.5246 1657.893       273.9417 1807.209       291.1882 254.7920 22.72700 265.7763 23.14722 -10.98424      32.43933 
1 1 1 3   -9  27 o 211.8916 16.17700 1115.732       162.6388 862.7803       240.0613 1330.335       221.1169 178.7899 29.08344 228.9877 20.41141 -50.19781      35.53128 
1 1 1 3   -9  28 o 211.7962 16.75497 1121.679       168.2752 833.6500       251.9082 1353.771       226.1278 173.0073 31.62060 230.1685 20.77275 -57.16118      37.83344 
1 1 1 3   -9  29 o 289.2052 15.76082 2092.202       217.0945 2057.235       424.8784 2104.557       252.5510 266.4052 34.14293 287.7147 18.45762 -21.30951      38.81267 
1 1 1 3   -9  30 o 79.65141 32.67950 132.5946       198.9883 379.2950       495.4026 85.13525       217.2873 110.0114 48.45712 76.91564 32.99232 33.09578       58.62240 
1 1 1 3   -9  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -9  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -8  0  o 139.6912 7.933871 468.6591       52.76834 468.6591       52.76834 0.000000       0.000000 139.6912 7.933871 ?        ?        0.000000       7.933871 
1 1 1 3   -8  1  o 373.3943 8.118576 3338.046       144.9292 3350.760       159.0211 3275.699       352.1479 374.0464 8.892437 367.8886 20.09801 6.157776       21.97738 
1 1 1 3   -8  2  o 395.3678 8.906378 3743.682       168.3491 3808.944       188.0074 3479.652       378.1554 398.7142 9.862906 378.9978 20.95166 19.71637       23.15705 
1 1 1 3   -8  3  o 259.5434 8.525931 1614.794       105.6502 1617.991       125.7303 1607.112       194.8784 259.6492 10.14803 258.0348 15.87393 1.614380       18.84049 
1 1 1 3   -8  4  o 320.9459 7.104490 2465.297       109.0117 2509.108       157.1926 2424.705       151.3074 323.4199 10.17884 317.9512 9.966162 5.468658       14.24546 
1 1 1 3   -8  5  o 400.6143 9.057173 3844.122       173.4712 3634.255       398.5782 3893.165       192.6770 387.1360 21.62073 403.0739 9.998544 -15.93793      23.82072 
1 1 1 3   -8  6  o 381.9991 14.43167 3511.178       263.0909 3542.372       373.1235 3480.334       371.0188 382.4344 20.48209 379.0450 20.55058 3.389465       29.01452 
1 1 1 3   -8  7  o 252.0413 7.520012 1522.063       90.51336 1539.484       136.2068 1508.286       121.1266 253.1150 11.28407 250.6593 10.12844 2.455643       15.16296 
1 1 1 3   -8  8  o 428.5095 7.475942 4395.813       153.1563 4524.978       223.4819 4281.428       210.3091 434.4168 10.76038 422.6055 10.40913 11.81128       14.97116 
1 1 1 3   -8  9  o 349.8350 7.526237 2930.094       125.8779 3102.964       188.2064 2790.171       169.3236 359.5280 10.96228 340.9818 10.39886 18.54623       15.10986 
1 1 1 3   -8  10 o 296.3611 9.112088 2106.591       128.9529 2182.433       250.5867 2079.272       150.3951 300.3134 17.52940 294.2428 10.70889 6.070618       20.54167 
1 1 1 3   -8  11 o 273.1365 10.00486 1791.416       130.4262 1775.089       225.9071 1799.579       159.7380 270.6256 17.55507 273.4529 12.24958 -2.827362      21.40637 
1 1 1 3   -8  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -8  13 o 125.5793 14.19255 384.6395       83.71790 573.7906       166.1839 320.3113       96.91368 151.5949 23.70551 113.6062 18.47768 37.98875       30.05621 
1 1 1 3   -8  14 o 211.2484 11.54494 1075.976       116.1554 1240.997       172.5400 939.1978       157.0830 226.0527 16.06988 196.3225 16.90030 29.73022       23.32083 
1 1 1 3   -8  15 o 250.8595 11.15666 1516.062       133.4704 1309.193       212.1687 1651.543       171.7008 231.2260 19.37057 261.3275 13.79174 -30.10146      23.77880 
1 1 1 3   -8  16 o 116.9346 17.12360 338.5238       92.89315 346.0695       125.6764 329.4368       137.9166 116.7446 23.33334 113.2709 26.01649 3.473755       34.94714 
1 1 1 3   -8  17 o 111.6453 22.27458 316.4964       114.7238 441.1310       196.8695 252.4089       141.1711 129.6507 31.96636 99.15755 28.35439 30.49313       42.72961 
1 1 1 3   -8  18 o 150.1005 15.19728 551.5806       107.5566 604.2171       150.2069 496.1922       154.0833 155.6865 20.69232 139.8674 23.90038 15.81909       31.61329 
1 1 1 3   -8  19 o 153.5558 13.53135 574.5824       98.32289 659.2592       157.7853 520.8287       125.7153 162.6105 20.76941 144.8975 18.57421 17.71298       27.86341 
1 1 1 3   -8  20 o 269.2710 13.19579 1757.852       169.3591 1725.256       250.5624 1785.271       229.8019 264.3884 19.97046 269.7910 17.91785 -5.402588      26.83037 
1 1 1 3   -8  21 o 125.7202 18.96363 395.5910       110.4394 386.1773       145.6617 408.3195       169.3770 122.1228 25.76004 124.6657 28.97138 -2.542961      38.76752 
1 1 1 3   -8  22 o 217.2816 13.84731 1149.913       143.0972 1414.750       245.1319 1013.013       176.2434 238.0133 21.78348 202.4214 18.41290 35.59196       28.52289 
1 1 1 3   -8  23 o 268.3679 13.72260 1753.380       175.4814 1780.336       268.2398 1733.212       232.0185 267.1428 21.17563 264.9023 18.43516 2.240479       28.07602 
1 1 1 3   -8  24 o 63.63725 27.00709 19.68528       142.8664 -202.4445      255.3878 120.8600       172.3584 67.44224 31.58873 80.28007 31.24251 -12.83783      44.42907 
1 1 1 3   -8  25 o 115.3384 19.39591 336.8770       103.1611 292.1212       180.5195 358.5812       125.7106 104.8884 32.58161 117.8322 23.14128 -12.94383      39.96349 
1 1 1 3   -8  26 o 190.2995 16.62358 895.8191       149.7246 1140.213       222.1185 692.2957       202.6968 212.2210 22.22119 162.6228 27.01869 49.59821       34.98272 
1 1 1 3   -8  27 o 156.9842 19.49015 623.3147       143.1379 858.9213       204.2020 395.7233       200.6985 182.2507 24.02014 118.9000 33.74521 63.35076       41.42109 
1 1 1 3   -8  28 o 68.91376 24.40572 111.5144       100.5630 191.3237       193.5857 82.01763       117.6884 89.42138 33.51760 66.27798 25.80990 23.14340       42.30344 
1 1 1 3   -8  29 o 47.65835 21.35441 -32.40514      100.4463 -106.8223      194.5238 -5.348334      117.2937 61.25147 28.30566 54.61157 23.82904 6.639896       37.00045 
1 1 1 3   -8  30 o 150.7691 15.96909 572.4390       113.3590 671.6548       204.6525 528.5242       136.1544 155.5598 28.57016 142.4900 20.58236 13.06979       35.21204 
1 1 1 3   -8  31 o 179.4538 16.86590 820.4041       143.0043 1470.992       342.7036 683.2362       157.3591 223.4523 33.07710 161.0161 20.93691 62.43625       39.14650 
1 1 1 3   -8  32 o 99.76055 22.94574 274.9817       107.1554 293.0797       207.9436 268.4384       125.0349 97.46182 35.03089 96.75500 26.33213 0.7068176      43.82401 
1 1 1 3   -8  33 o 64.63088 24.54322 101.4457       104.5667 538.2335       208.5907 -45.16339      120.8482 128.7425 33.55406 49.39610 22.63789 79.34640       40.47652 
1 1 1 3   -7  0  o 462.2472 7.394663 5114.013       163.4184 5114.013       163.4184 0.000000       0.000000 462.2472 7.394663 ?        ?        0.000000       7.394663 
1 1 1 3   -7  1  o 329.4831 7.489251 2598.305       117.9723 2679.952       131.1445 2252.017       270.0843 334.5781 8.198683 305.2019 18.59818 29.37619       20.32512 
1 1 1 3   -7  2  o 741.6718 8.009295 13168.04       283.9974 13318.79       402.7154 13018.90       400.5592 745.3792 11.30089 736.9271 11.36930 8.452087       16.03032 
1 1 1 3   -7  3  o 254.4504 10.98612 1554.696       133.3310 1598.161       189.0475 1511.679       188.0733 257.4330 15.43108 250.2919 15.79768 7.141068       22.08359 
1 1 1 3   -7  4  o 545.8524 9.612067 7137.049       250.8421 7224.052       270.4163 6600.514       671.5286 549.0859 10.30111 520.5844 27.07448 28.50159       28.96792 
1 1 1 3   -7  5  o 676.6472 7.892804 10959.88       255.3301 10850.01       363.4426 11066.96       358.7850 672.7573 11.29976 679.4932 11.04437 -6.735840      15.80071 
1 1 1 3   -7  6  o 536.6714 9.580361 6899.143       245.8096 7020.687       266.3069 6199.518       638.9223 541.2921 10.29064 504.5828 26.57918 36.70923       28.50176 
1 1 1 3   -7  7  o 248.1175 8.544813 1475.818       101.2091 1574.819       125.8303 1294.405       170.3335 256.1535 10.29585 231.5556 15.47521 24.59792       18.58727 
1 1 1 3   -7  8  o 350.9603 13.37751 2960.982       224.0504 3156.302       318.1864 2768.897       315.5405 361.4659 18.47348 338.2688 19.59511 23.19711       26.93024 
1 1 1 3   -7  9  o 134.7785 9.167543 437.1058       58.72043 576.5336       95.28564 351.7326       74.56134 154.4445 13.02598 120.3416 13.17460 34.10292       18.52690 
1 1 1 3   -7  10 o 199.4163 8.917386 954.3843       84.80211 962.7518       141.6608 949.7111       105.8667 199.5796 14.95530 198.7002 11.18951 0.8793335      18.67796 
1 1 1 3   -7  11 o 154.2650 9.430974 572.3090       69.22324 633.8603       105.7770 526.2015       91.54988 161.8572 13.80097 147.4601 13.12293 14.39716       19.04411 
1 1 1 3   -7  12 o 663.6459 11.27379 10565.36       357.6966 10660.48       384.1605 9945.427       980.7095 666.4579 12.05679 635.0527 32.40864 31.40527       34.57869 
1 1 1 3   -7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -7  14 o 346.4157 13.94677 2892.261       230.5106 3015.288       330.6447 2775.925       321.5287 352.3016 19.70940 337.9064 19.99218 14.39520       28.07397 
1 1 1 3   -7  15 o 75.13921 21.11271 141.0859       78.96646 37.74688       178.0864 166.3770       88.10118 73.51325 30.60809 81.33035 22.09070 -7.817093      37.74725 
1 1 1 3   -7  16 o 466.9536 17.35302 5286.375       386.7238 5287.022       550.9980 5285.746       542.9118 463.5382 24.95515 463.6794 24.57861 -0.1411438     35.02667 
1 1 1 3   -7  17 o 459.7275 17.15645 5129.980       376.4207 5174.625       536.3558 5086.647       528.4117 458.1020 24.57964 454.2703 24.42018 3.831665       34.64829 
1 1 1 3   -7  18 o 162.5903 17.38002 649.0457       133.0064 474.0540       218.8951 751.4706       167.4673 134.2091 34.06273 174.2419 20.49487 -40.03278      39.75310 
1 1 1 3   -7  19 o 410.5562 15.76883 4094.237       308.9386 4278.087       441.5070 3917.857       432.4444 416.4444 22.25627 398.1662 22.81283 18.27826       31.87110 
1 1 1 3   -7  20 o 340.0755 14.16109 2804.361       229.7359 2883.893       331.8931 2731.199       318.3230 342.3051 20.37255 333.2295 20.07404 9.075623       28.60083 
1 1 1 3   -7  21 o 232.2666 12.54985 1306.749       138.8410 1160.595       207.6811 1424.856       186.6932 216.5312 20.29836 241.5134 16.26366 -24.98222      26.01020 
1 1 1 3   -7  22 o 123.0138 15.82517 373.8736       90.91658 342.1687       146.2678 393.8353       116.0607 114.5245 27.13321 125.1405 20.07776 -10.61601      33.75393 
1 1 1 3   -7  23 o 94.39901 20.32383 227.5401       89.00753 237.8057       155.5759 222.5450       108.5229 96.33033 30.29573 92.75002 24.21673 3.580307       38.78506 
1 1 1 3   -7  24 f 277.4525 21.40515 1920.008       281.7389 1920.008       281.7389 0.000000       0.000000 277.4525 21.40515 ?        ?        0.000000       21.40515 
1 1 1 3   -7  25 o 72.14130 23.04205 128.8730       89.69221 -67.06469      163.4363 213.3152       107.2924 59.55550 26.91343 90.53566 24.28735 -30.98016      36.25201 
1 1 1 3   -7  26 o 199.5329 14.33194 974.1879       135.8080 1095.414       224.9089 904.6217       170.3758 208.0412 22.99589 190.5991 18.94795 17.44209       29.79657 
1 1 1 3   -7  27 o 106.5139 23.29389 295.5351       115.3082 577.3297       310.7136 250.5276       124.1756 140.9743 42.55023 97.42346 26.12551 43.55081       49.93060 
1 1 1 3   -7  28 o 175.2348 15.73752 760.6689       130.4427 730.2833       222.8327 776.5094       160.8902 164.9303 29.33501 175.4576 19.50953 -10.52727      35.23016 
1 1 1 3   -7  29 o 97.20149 28.97352 256.5139       144.7401 -38.52943      207.2547 537.4096       202.2247 68.53653 30.69442 139.2899 31.14939 -70.75339      43.73136 
1 1 1 3   -7  30 o 171.7766 17.08271 740.5239       138.4335 1037.179       216.5681 535.5676       180.0110 199.9232 23.08137 140.4059 27.80065 59.51723       36.13345 
1 1 1 3   -7  31 o 96.28991 26.99578 257.3133       129.2566 317.7037       194.5720 209.6107       172.9289 104.3989 33.99086 88.73212 31.93906 15.66679       46.64206 
1 1 1 3   -7  32 o 81.15527 30.18252 171.8407       156.3668 632.9621       325.9629 34.01057       178.2102 133.3852 44.02755 67.72283 29.46358 65.66236       52.97667 
1 1 1 3   -7  33 o 141.2307 22.28530 539.6959       145.4881 644.2559       220.4706 459.0412       193.6343 145.5589 32.50389 122.0266 32.57988 23.53225       46.02120 
1 1 1 3   -7  34 o 79.19288 29.44432 179.3777       148.7915 523.9366       230.9142 -65.25190      194.5689 122.9561 36.58262 60.27668 28.01193 62.67944       46.07555 
1 1 1 3   -6  0  o 757.6033 8.072577 13745.52       292.3899 13745.52       292.3899 0.000000       0.000000 757.6033 8.072577 ?        ?        0.000000       8.072577 
1 1 1 3   -6  1  o 185.9457 7.890594 829.4286       69.98676 797.3849       85.87647 892.8032       120.7703 182.1247 9.899945 192.3453 13.21346 -10.22057      16.51074 
1 1 1 3   -6  2  o 261.1241 6.869358 1633.142       85.68290 1623.374       122.1161 1642.615       120.2532 260.0734 9.839037 261.6342 9.630200 -1.560791      13.76762 
1 1 1 3   -6  3  o 167.9402 7.726659 676.6586       61.87134 647.2671       104.0929 692.7151       76.93716 163.6300 13.42400 169.7679 9.517318 -6.137878      16.45549 
1 1 1 3   -6  4  o 135.8353 8.069489 443.3162       52.16814 453.6288       69.96993 430.4079       78.28155 137.1453 10.75745 133.3633 12.42043 3.782089       16.43137 
1 1 1 3   -6  5  o 262.9853 8.384865 1657.643       105.2884 1867.274       202.8203 1580.310       123.1875 278.3175 15.30160 256.6195 10.06030 21.69800       18.31253 
1 1 1 3   -6  6  o 523.3603 9.583635 6560.924       239.7946 6641.267       259.8141 6099.030       622.9611 526.4691 10.32242 500.6880 26.11495 25.78107       28.08100 
1 1 1 3   -6  7  o 512.8779 9.690928 6300.843       237.6226 6356.236       258.0944 5992.638       608.7953 515.0376 10.48169 496.4650 25.73709 18.57257       27.78963 
1 1 1 3   -6  8  o 654.7103 10.58753 10271.67       331.3998 10282.62       351.9674 10186.13       983.8666 654.9573 11.24038 644.8447 32.01347 10.11255       33.92946 
1 1 1 3   -6  9  o 136.6130 8.794808 448.7386       57.13644 422.1665       88.37299 467.8239       74.89548 131.8397 14.24656 139.2381 11.34931 -7.398392      18.21459 
1 1 1 3   -6  10 o 756.9759 10.82887 13734.17       391.8985 12465.00       1262.124 13869.60       412.2769 710.0443 37.31085 760.6012 11.33766 -50.55695      38.99541 
1 1 1 3   -6  11 o 541.3065 10.11124 7021.141       261.6712 7024.739       696.4565 7020.550       282.3585 536.7833 27.22748 541.1768 10.91323 -4.393433      29.33316 
1 1 1 3   -6  12 o 175.8516 10.24542 743.6072       85.76290 710.3607       123.0157 775.0485       119.6293 171.2429 15.18306 179.0842 14.08574 -7.841278      20.71070 
1 1 1 3   -6  13 o 404.0822 10.02143 3913.304       193.6011 4374.693       429.7905 3795.852       216.8473 424.8158 21.22883 397.6566 11.41793 27.15918       24.10461 
1 1 1 3   -6  14 o 202.8981 17.01304 998.7487       163.5138 0.000000       0.000000 998.7487       163.5138 ?        ?        202.8981 17.01304 0.000000       17.01304 
1 1 1 3   -6  15 o 445.4545 10.94404 4760.770       233.0716 4696.006       501.2943 4778.631       263.2560 438.7509 23.98955 445.8958 12.36106 -7.144989      26.98692 
1 1 1 3   -6  16 o 149.9449 15.34930 547.3989       108.4834 361.9982       147.9626 762.9119       159.5265 119.3405 26.61165 176.5102 19.21378 -57.16968      32.82300 
1 1 1 3   -6  17 o 44.91344 20.22710 -44.46872      91.40466 34.58200       118.0105 -163.0065      144.5095 61.44775 25.18369 49.18529 23.25991 12.26246       34.28180 
1 1 1 3   -6  18 o 225.4129 12.95184 1227.656       138.9909 1246.853       216.0072 1214.093       181.5726 225.4692 20.25446 223.2718 17.14124 2.197388       26.53423 
1 1 1 3   -6  19 o 134.4595 20.31682 450.4206       126.5342 361.8828       204.0633 505.7277       161.2838 118.0681 34.19246 141.3925 24.76099 -23.32440      42.21647 
1 1 1 3   -6  20 f 358.6178 14.59814 3116.545       249.7635 3216.670       358.8315 3022.449       347.8617 361.8278 20.83148 350.6955 20.84161 11.13226       29.46732 
1 1 1 3   -6  21 o 152.7297 15.93445 572.2621       114.6412 640.0875       163.3878 506.4903       160.8953 159.8972 21.95209 141.0439 24.76352 18.85327       33.09269 
1 1 1 3   -6  22 o 259.3520 12.86785 1629.328       159.0543 1821.764       245.3324 1489.794       208.9064 272.2338 18.96835 246.4613 17.85040 25.77251       26.04679 
1 1 1 3   -6  23 o 135.6123 16.62394 454.4110       105.5292 220.7096       263.8753 498.9046       115.1374 102.0716 38.93414 141.9973 17.31792 -39.92568      42.61194 
1 1 1 3   -6  24 o 401.8961 10.33120 3894.521       198.3410 5093.300       342.8773 3291.663       243.1513 457.1188 15.71258 368.1927 13.83778 88.92606       20.93727 
1 1 1 3   -6  25 f 288.1519 12.50131 2014.019       171.8110 2673.431       319.2329 1745.127       203.8531 328.2425 20.44400 266.9220 16.04853 61.32053       25.99062 
1 1 1 3   -6  26 o 48.99307 20.43276 16.17265       79.55421 244.8127       171.3944 -46.61308      89.81543 97.48459 31.91271 43.75531 19.84443 53.72928       37.57955 
1 1 1 3   -6  27 o 158.0132 14.92577 614.1246       111.4196 994.6484       205.1976 455.0249       132.6832 198.5718 21.98224 133.6942 21.48628 64.87759       30.73888 
1 1 1 3   -6  28 o 275.6682 14.41587 1858.568       189.3320 1690.313       295.2792 1976.039       246.7263 257.5939 24.26242 282.3040 18.38052 -24.71011      30.43861 
1 1 1 3   -6  29 o 61.69606 23.78817 70.47982       99.22708 49.49611       320.5962 72.70292       104.3510 89.84935 39.29606 62.93359 24.35995 26.91576       46.23405 
1 1 1 3   -6  30 f 170.9265 15.97993 727.2353       129.0712 475.0745       229.4286 843.9963       156.1197 128.1569 35.97902 183.2739 18.05164 -55.11699      40.25359 
1 1 1 3   -6  31 o 239.1167 15.09941 1416.318       171.7334 1592.618       265.1196 1288.867       225.4175 248.4337 22.56748 224.2472 21.28048 24.18652       31.01854 
1 1 1 3   -6  32 o 166.6138 18.38754 709.3339       144.0348 178.6268       234.3090 1031.693       182.6128 88.69904 35.80545 200.6366 19.27445 -111.9376      40.66368 
1 1 1 3   -6  33 o 78.84372 28.59262 163.9966       138.9126 -13.16339      362.9305 194.4053       150.3625 83.62136 38.65035 83.99382 29.83349 -0.3724594     48.82506 
1 1 1 3   -6  34 o 47.20462 22.41642 -126.0658      136.9351 -190.9459      215.5246 -82.14525      177.3269 57.47036 27.52003 57.63740 26.77057 -0.1670418     38.39291 
1 1 1 3   -6  35 f 55.84003 25.91314 -63.58416      165.5954 -244.8048      209.3723 239.1523       270.6125 52.92566 25.77001 88.60400 37.36501 -35.67833      45.38984 
1 1 1 3   -5  0  o 325.9241 8.506317 2549.111       132.4326 2549.111       132.4326 0.000000       0.000000 325.9241 8.506317 ?        ?        0.000000       8.506317 
1 1 1 3   -5  1  o 303.9320 7.469533 2213.538       108.5371 2234.516       121.0467 2127.488       245.1540 305.1696 8.304379 295.8878 17.40710 9.281738       19.28652 
1 1 1 3   -5  2  o 66.03393 7.484076 105.8117       23.21116 111.9125       34.75912 100.9019       31.18245 67.36185 11.18523 63.98767 10.56121 3.374176       15.38338 
1 1 1 3   -5  3  o 33.78015 9.489883 28.11622       15.95575 14.14287       22.82937 41.46017       22.30930 29.76346 11.42721 40.88639 11.12088 -11.12293      15.94538 
1 1 1 3   -5  4  f 333.6049 8.713104 2669.574       138.8487 2690.354       158.2967 2600.251       289.1289 334.7339 9.902425 327.2515 18.55601 7.482391       21.03292 
1 1 1 3   -5  5  o 770.3594 10.90150 14242.16       401.5021 13926.22       1339.836 14273.33       420.8421 745.0309 37.73860 771.0554 11.41630 -26.02441      39.42758 
1 1 1 3   -5  6  o 508.0412 7.376612 6179.805       179.1696 6315.398       255.5682 6048.750       251.2550 513.1747 10.41677 502.2169 10.46442 10.95786       14.76527 
1 1 1 3   -5  7  o 724.8265 24.86664 12777.81       860.4305 12780.88       1217.332 12774.74       1216.334 718.5382 35.54684 718.3800 35.52545 0.1582031      50.25570 
1 1 1 3   -5  8  o 417.5045 9.131686 4175.032       182.2722 4289.113       203.9442 3722.210       406.3193 423.0786 10.08282 391.8200 21.77631 31.25854       23.99731 
1 1 1 3   -5  9  o 437.4456 22.89792 4639.576       477.2146 4639.576       477.2146 0.000000       0.000000 437.4456 22.89792 ?        ?        0.000000       22.89792 
1 1 1 3   -5  10 o 416.0823 15.43126 4165.451       306.4334 4192.926       434.1507 4138.174       432.5781 416.0939 21.90145 413.3445 21.96881 2.749359       31.02099 
1 1 1 3   -5  11 o 999.7466 33.82085 24518.68       1614.199 24678.76       2283.716 24358.84       2281.929 989.8954 48.40198 983.1376 48.70050 6.757813       68.66215 
1 1 1 3   -5  12 o 528.2481 10.07046 6685.782       254.3289 6540.442       661.4148 6711.000       275.5114 518.2170 26.78739 529.1405 10.89081 -10.92352      28.91668 
1 1 1 3   -5  13 o 331.5993 8.064615 2632.508       127.8514 2561.921       185.8090 2695.978       176.1925 326.6128 11.91939 335.1726 11.01033 -8.559814      16.22650 
1 1 1 3   -5  14 o 231.1058 11.20045 1283.666       123.3842 1513.347       186.9790 1106.511       164.2127 250.3673 15.69997 213.8589 16.18100 36.50836       22.54581 
1 1 1 3   -5  15 o 92.30048 28.47603 208.1023       138.1637 0.000000       0.000000 208.1023       138.1637 ?        ?        92.30048 28.47603 0.000000       28.47603 
1 1 1 3   -5  16 o 498.4506 8.945819 5952.785       213.1820 6075.809       320.6481 5855.328       285.3922 502.6928 13.35373 493.8861 12.08668 8.806641       18.01138 
1 1 1 3   -5  17 o 442.8166 16.76016 4737.050       354.1815 4568.413       505.1134 4900.160       496.7673 432.2622 24.54264 448.2296 23.26122 -15.96744      33.81458 
1 1 1 3   -5  18 o 343.0269 11.24041 2829.233       184.0907 3158.605       341.2592 2694.045       218.6297 360.2876 19.88910 334.2450 13.71067 26.04260       24.15696 
1 1 1 3   -5  19 o 234.0885 12.34097 1322.094       137.6262 1531.122       209.3839 1163.094       182.6161 250.8287 17.57169 218.4379 17.63632 32.39082       24.89587 
1 1 1 3   -5  20 o 351.9466 11.24976 2982.340       189.0472 3215.400       359.1805 2893.039       222.3351 362.3599 20.82076 346.0949 13.46274 16.26495       24.79414 
1 1 1 3   -5  21 o 177.4160 13.34626 764.0620       112.3738 620.0501       181.5830 853.4504       143.0596 156.5735 25.10579 186.9252 16.16689 -30.35168      29.86083 
1 1 1 3   -5  22 o 129.8349 17.00534 416.7500       103.0217 566.5811       253.8783 387.2142       112.7195 145.3400 36.57201 124.4012 19.60045 20.93877       41.49324 
1 1 1 3   -5  23 o 181.2874 14.86003 802.1782       127.6646 922.3749       267.7533 766.8131       145.2365 188.6464 30.74572 176.5324 17.43594 12.11395       35.34560 
1 1 1 3   -5  24 o 125.5196 20.28918 396.4387       117.6026 436.7854       171.9639 360.9896       161.1890 129.2292 28.59163 117.2690 28.93161 11.96020       40.67579 
1 1 1 3   -5  25 o 203.9690 14.29767 1014.595       138.5411 917.1899       216.8456 1081.776       180.0881 190.3071 24.39370 209.4026 18.16809 -19.09555      30.41599 
1 1 1 3   -5  26 o 310.0199 12.26967 2329.794       181.4981 2379.115       319.3127 2306.253       220.5991 308.7684 21.77048 307.3737 15.05748 1.394684       26.47039 
1 1 1 3   -5  27 o 79.75613 29.21937 140.7684       145.6001 131.9106       295.8903 143.5985       167.2502 95.39138 39.56296 82.55345 31.10936 12.83793       50.32912 
1 1 1 3   -5  28 o 55.98635 25.50078 -76.02316      150.3007 -395.9981      321.2524 13.64410       170.0612 68.63443 33.05523 67.89629 29.15665 0.7381363      44.07673 
1 1 1 3   -5  29 o 210.5093 15.92615 1092.076       159.0950 1187.668       254.0845 1030.428       204.0458 214.9402 25.20412 202.0100 21.45516 12.93025       33.09942 
1 1 1 3   -5  30 o 46.08248 22.00799 -162.9230      135.8682 -90.20122      210.2733 -215.0478      178.0220 65.63625 29.99790 52.15383 24.98411 13.48242       39.03946 
1 1 1 3   -5  31 o 141.8801 27.12866 541.5760       177.3127 321.4023       372.2901 606.1729       201.6530 111.9002 45.14664 148.9596 29.36005 -37.05939      53.85381 
1 1 1 3   -5  32 o 123.5384 22.54125 401.6846       128.2298 696.5329       216.8918 243.2439       158.9928 158.9901 29.62380 94.28303 30.72834 64.70707       42.68255 
1 1 1 3   -5  33 o 55.09290 23.91491 5.775562       116.8608 51.45337       196.5033 -19.21917      145.3589 72.48797 31.23739 58.12711 25.89109 14.36086       40.57244 
1 1 1 3   -5  34 o 169.5653 21.11793 762.4638       167.4973 1005.306       355.6956 693.2708       189.8662 169.6822 43.61097 157.7074 26.09351 11.97478       50.82114 
1 1 1 3   -5  35 f 87.75472 27.81410 225.7780       130.8978 402.9637       216.4574 123.6251       164.3551 110.1935 35.84974 73.93000 29.93597 36.26347       46.70510 
1 1 1 3   -5  36 o 79.26982 31.36604 180.5625       176.2057 253.7687       225.8180 66.60369       281.7463 88.27611 35.31800 76.19714 34.78619 12.07897       49.57257 
1 1 1 3   -4  0  o 395.6473 8.707534 3757.117       164.7069 3757.117       164.7069 0.000000       0.000000 395.6473 8.707534 ?        ?        0.000000       8.707534 
1 1 1 3   -4  1  o 185.4314 6.703709 824.9967       59.33234 813.2678       84.09629 836.6215       83.72215 183.7485 9.606289 186.4011 9.425302 -2.652634      13.45798 
1 1 1 3   -4  2  o 132.6449 6.711377 422.6684       42.42258 445.9274       60.78460 400.5804       59.23461 135.9414 9.410709 128.7711 9.692783 7.170303       13.50968 
1 1 1 3   -4  3  o 135.3279 7.520835 440.4125       48.46744 371.4982       78.63423 482.6335       61.54908 123.3526 13.55702 141.4915 9.147797 -18.13890      16.35467 
1 1 1 3   -4  4  o 206.9329 7.751177 1028.180       76.54860 1091.127       94.48527 907.9448       130.5838 212.9780 9.301859 193.3892 14.22322 19.58879       16.99484 
1 1 1 3   -4  5  o 353.0574 13.59368 3010.854       229.0227 3068.072       324.2894 2953.920       323.4861 354.5901 19.20087 347.7888 19.53352 6.801361       27.39036 
1 1 1 3   -4  6  o 195.5331 7.205728 917.2888       67.24548 919.9813       97.28757 914.8257       93.05267 195.4285 10.45065 194.9389 10.01800 0.4895935      14.47675 
1 1 1 3   -4  7  o 584.7239 9.925150 8204.537       277.4574 7723.245       784.9897 8273.249       296.6024 558.2537 29.51686 587.0161 10.56857 -28.76239      31.35187 
1 1 1 3   -4  8  o 229.5024 7.411725 1262.700       81.21664 1240.443       116.3400 1283.858       113.4306 227.1083 10.74536 231.1140 10.29168 -4.005753      14.87890 
1 1 1 3   -4  9  o 263.7555 8.670074 1668.277       109.1797 1590.484       201.4317 1700.638       129.9192 256.4388 16.51779 266.1391 10.22977 -9.700317      19.42898 
1 1 1 3   -4  10 o 365.2027 9.246600 3196.897       161.3151 3207.798       346.1120 3193.872       182.3297 364.0246 19.96381 364.8909 10.46248 -0.8662415     22.53924 
1 1 1 3   -4  11 o 196.0933 9.182306 922.9177       85.84503 946.4816       113.4827 891.3959       131.2534 198.3037 12.02643 192.1330 14.39356 6.170776       18.75659 
1 1 1 3   -4  12 o 652.9955 10.36294 10216.69       323.5203 9014.191       943.2025 10377.03       344.4143 606.2800 32.66100 658.0107 10.94813 -51.73071      34.44710 
1 1 1 3   -4  13 f 351.2545 7.955099 2953.465       133.5906 2724.453       192.5254 3166.115       185.5204 336.8521 11.97379 363.3184 10.69224 -26.46628      16.05290 
1 1 1 3   -4  14 o 127.2208 10.60501 390.5706       63.91651 307.4496       92.59116 466.2371       88.34168 111.6209 17.95985 138.7207 13.49055 -27.09980      22.46222 
1 1 1 3   -4  15 o 118.5429 13.59267 341.7733       75.64328 281.2786       117.8525 384.1550       98.64378 105.7034 23.88522 125.2312 16.90740 -19.52782      29.26369 
1 1 1 3   -4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -4  17 o 159.6112 13.50593 616.3937       102.0950 372.1492       161.7004 778.3063       131.6555 121.0592 28.42702 179.1814 15.52166 -58.12216      32.38853 
1 1 1 3   -4  18 o 504.6507 11.31756 6112.543       273.0562 6681.204       644.8596 5988.309       301.4110 522.5438 25.89340 499.0884 12.64221 23.45544       28.81481 
1 1 1 3   -4  19 o 329.7158 13.98346 2622.190       219.9256 2713.742       321.0189 2541.217       301.9039 333.8264 20.20879 323.1709 19.63278 10.65552       28.17519 
1 1 1 3   -4  20 o 316.5848 13.66868 2419.320       206.3957 2633.888       304.9339 2237.911       280.3842 328.7375 19.48954 302.9400 19.46220 25.79749       27.54305 
1 1 1 3   -4  21 o 400.1003 15.67964 3878.302       299.3447 3939.745       431.8080 3821.454       415.3464 400.3906 22.65026 394.5715 22.10632 5.819092       31.65002 
1 1 1 3   -4  22 f 346.3271 14.46625 2905.623       238.9976 3028.229       350.4922 2799.069       326.7434 351.0411 20.97964 337.7342 20.33007 13.30692       29.21398 
1 1 1 3   -4  23 o 226.0486 14.38478 1242.088       154.6516 1199.542       274.6543 1261.840       187.1380 217.6837 26.96700 226.9909 17.37638 -9.307205      32.08049 
1 1 1 3   -4  24 o 130.9280 19.67523 428.9071       119.3522 335.4823       170.9539 517.7460       166.7053 112.9992 30.80531 142.2276 25.45093 -29.22833      39.95894 
1 1 1 3   -4  25 o 59.12830 24.42176 31.17052       112.1079 166.3601       156.6558 -110.7410      160.5032 85.35873 30.43742 55.93584 25.80010 29.42289       39.90091 
1 1 1 3   -4  26 o 253.9175 13.52582 1567.161       163.6043 1648.302       265.4309 1517.447       207.7635 257.1058 21.79920 248.4239 17.60722 8.681900       28.02176 
1 1 1 3   -4  27 o 69.31654 24.29349 109.7169       99.44726 173.6716       310.7991 102.4221       104.9656 100.6942 41.02100 68.69429 24.86262 31.99990       47.96741 
1 1 1 3   -4  28 o 210.6436 14.41836 1085.739       144.3264 1179.382       244.5135 1035.668       178.7957 215.2629 24.17622 204.1844 18.51695 11.07852       30.45270 
1 1 1 3   -4  29 o 66.78788 23.89418 99.23450       96.62219 90.51139       198.9512 101.9270       110.5329 80.05406 32.74131 69.16578 25.43883 10.88828       41.46236 
1 1 1 3   -4  30 o 59.22050 24.07311 44.03059       106.7611 144.9799       340.2835 33.00885       112.4383 99.36150 41.90056 58.84938 24.39611 40.51213       48.48533 
1 1 1 3   -4  31 o 219.6977 14.81738 1190.361       154.7239 1491.498       262.5811 1030.193       191.5004 241.0164 23.06937 201.7037 20.12696 39.31267       30.61520 
1 1 1 3   -4  32 o 46.81961 22.61644 -212.9335      153.1226 -283.9363      193.9091 -95.31662      249.5716 51.49482 25.01083 70.68882 32.44663 -19.19400      40.96737 
1 1 1 3   -4  33 f 60.13947 26.89244 -30.25709      158.4365 50.57187       200.8723 -163.3262      257.7361 73.96507 31.72409 67.42648 31.63003 6.538597       44.79818 
1 1 1 3   -4  34 o 144.2769 21.25103 549.8643       142.1978 885.4568       235.1290 356.3474       178.5499 177.4279 28.69816 109.4111 32.06932 68.01681       43.03517 
1 1 1 3   -4  35 o 39.59056 19.60638 -279.8963      138.7192 -1035.104      372.0616 -157.9663      149.4986 54.67891 27.73218 47.91899 22.93931 6.759918       35.99008 
1 1 1 3   -4  36 o 123.6599 25.28531 438.9014       144.4392 288.2940       235.2317 530.0519       183.0006 94.01365 36.52353 132.1097 29.69817 -38.09602      47.07387 
1 1 1 3   -4  37 o 109.1518 32.49809 403.6830       182.1788 454.8503       230.2758 318.0790       297.8509 110.0902 37.02203 92.44541 39.10348 17.64479       53.84898 
1 1 1 3   -3  0  o 180.2263 6.669344 778.9453       57.36672 778.9453       57.36672 0.000000       0.000000 180.2263 6.669344 ?        ?        0.000000       6.669344 
1 1 1 3   -3  1  o 258.4963 6.726153 1601.388       83.05396 1625.047       117.6173 1577.859       117.2954 260.0753 9.475242 256.2505 9.591249 3.824829       13.48230 
1 1 1 3   -3  2  o 175.0826 6.705505 735.2449       56.02469 741.8418       79.68151 728.7950       78.78780 175.5675 9.528749 174.0150 9.506410 1.552444       13.45990 
1 1 1 3   -3  3  o 208.5605 7.724378 1044.005       76.88699 1087.649       93.80063 954.6364       134.2267 212.6975 9.246422 198.4340 14.24338 14.26353       16.98147 
1 1 1 3   -3  4  o 514.2364 9.244952 6347.706       227.2877 6465.869       246.1499 5664.144       592.0347 518.8362 9.923414 478.2984 25.98809 40.53778       27.81825 
1 1 1 3   -3  5  o 183.1055 7.948279 805.5244       69.41403 802.7300       117.9193 807.0060       85.86775 181.8949 13.65967 183.0276 9.849354 -1.132706      16.84032 
1 1 1 3   -3  6  o 224.4015 7.056703 1208.098       75.61288 1303.991       108.0583 1116.099       105.8417 232.7749 9.731335 215.2285 10.31608 17.54636       14.18169 
1 1 1 3   -3  7  o 226.5744 8.409938 1233.262       90.94055 1271.720       162.0468 1215.582       109.8739 228.8931 14.88890 224.6707 10.25621 4.222366       18.07952 
1 1 1 3   -3  8  o 342.8856 8.831833 2822.598       144.6594 2914.410       166.2467 2536.332       293.5529 348.2119 9.996566 322.4388 19.12876 25.77316       21.58335 
1 1 1 3   -3  9  o 116.1257 9.301248 325.5369       51.20756 322.0820       74.73940 328.5936       70.30106 114.8105 13.89895 116.1576 12.87514 -1.347107      18.94598 
1 1 1 3   -3  10 o 283.1240 9.031207 1923.296       122.0885 2039.585       231.8668 1878.686       143.6088 290.2729 16.77949 279.5988 10.76339 10.67401       19.93494 
1 1 1 3   -3  11 o 275.4090 11.84023 1823.411       155.5360 1764.559       220.7831 1881.394       219.1483 270.0735 17.18838 279.0323 16.50132 -8.958832      23.82717 
1 1 1 3   -3  12 o 203.1272 10.46197 991.4489       101.2568 946.5446       144.2700 1035.044       142.1510 197.8553 15.37228 207.0814 14.44885 -9.226105      21.09683 
1 1 1 3   -3  13 o 620.9586 10.42949 9239.325       309.6235 8604.673       875.9686 9329.938       330.9896 592.9794 31.00646 623.8979 11.09666 -30.91852      32.93230 
1 1 1 3   -3  14 o 405.8922 10.08864 3947.059       195.7725 3997.848       223.4556 3779.329       406.0788 408.2032 11.46137 395.0249 21.58394 13.17828       24.43828 
1 1 1 3   -3  15 o 160.3543 10.81329 619.0897       82.41382 829.9337       130.3129 478.5458       106.3929 185.2795 14.83518 140.1575 16.17405 45.12201       21.94726 
1 1 1 3   -3  16 o 269.1815 12.86365 1742.878       165.0666 1727.749       241.3400 1756.176       226.2672 267.0273 19.02921 269.4755 17.66012 -2.448151      25.96133 
1 1 1 3   -3  17 o 438.4904 24.01093 4677.437       501.4374 4677.437       501.4374 0.000000       0.000000 438.4904 24.01093 ?        ?        0.000000       24.01093 
1 1 1 3   -3  18 o 330.8633 12.14714 2631.101       191.8196 2931.872       329.6556 2477.135       235.8605 347.7438 19.91186 320.4820 15.43912 27.26187       25.19621 
1 1 1 3   -3  19 o 659.5987 11.68539 10445.27       368.4947 9729.935       994.1025 10559.21       396.7597 626.2396 33.32335 662.9753 12.51762 -36.73572      35.59686 
1 1 1 3   -3  20 o 254.7885 13.59379 1566.910       164.9886 1303.536       266.2978 1730.994       210.1911 229.6954 24.63412 267.2346 16.53275 -37.53917      29.66769 
1 1 1 3   -3  21 o 532.0330 11.63972 6806.119       296.0667 6648.792       689.9935 6841.621       327.7745 518.0019 27.96524 533.0750 12.86111 -15.07312      30.78088 
1 1 1 3   -3  22 o 333.5744 12.20023 2683.162       194.2392 2717.968       333.8900 2665.356       238.8078 332.8965 21.08743 331.7018 15.09846 1.194733       25.93536 
1 1 1 3   -3  23 o 202.0046 14.98415 993.2130       143.6806 1033.306       210.5363 958.2622       196.5719 204.0382 21.92641 196.6329 21.24717 7.405304       30.53211 
1 1 1 3   -3  24 o 186.3997 18.58683 856.7457       163.4319 908.3929       292.5274 833.3098       197.0538 185.7391 34.20225 182.3056 23.12857 3.433563       41.28831 
1 1 1 3   -3  25 o 102.2262 26.19229 271.1961       128.5759 521.7196       178.7884 2.845946       185.0402 142.0623 27.31594 70.28344 30.30018 71.77888       40.79536 
1 1 1 3   -3  26 o 251.1127 13.90505 1533.349       166.2841 1714.130       259.7439 1407.807       216.4534 262.8534 20.83962 238.7732 19.12110 24.08026       28.28261 
1 1 1 3   -3  27 f 118.9888 19.81400 357.4274       108.7543 550.5264       194.7555 269.9299       131.0985 144.7467 29.15241 101.5747 26.66342 43.17200       39.50697 
1 1 1 3   -3  28 o 59.40064 23.55552 52.95176       99.57993 334.2955       189.2936 -54.69832      117.0913 111.5504 33.10548 50.25751 22.73927 61.29287       40.16276 
1 1 1 3   -3  29 o 119.6109 22.97765 369.5179       126.6226 565.6993       330.8662 335.8551       137.0564 139.5785 44.21830 112.9406 25.93136 26.63785       51.26104 
1 1 1 3   -3  30 o 162.9821 20.86621 671.4399       158.8645 604.2905       227.4324 735.4214       222.0028 148.8949 32.83363 166.8330 28.87872 -17.93803      43.72674 
1 1 1 3   -3  31 o 106.4720 23.80589 298.2186       118.1337 275.5668       221.6376 307.2075       139.6193 102.5714 36.24083 106.9978 27.22987 -4.426376      45.33060 
1 1 1 3   -3  32 o 150.8029 18.67508 575.7925       131.7672 705.5056       241.2150 520.6226       157.3127 158.8470 32.84789 140.6802 24.26597 18.16684       40.83897 
1 1 1 3   -3  33 o 188.0098 16.29687 883.5081       145.0397 815.2097       243.9495 920.8508       180.3841 171.4288 30.90168 189.8200 20.18608 -18.39120      36.91059 
1 1 1 3   -3  34 f 93.27903 34.83256 233.2470       208.6717 932.4090       358.4159 -125.2660      256.6556 168.3061 44.04179 68.73659 32.02058 99.56955       54.45179 
1 1 1 3   -3  35 o 77.98959 28.10322 161.0671       133.9295 344.6389       207.9204 30.88702       175.0920 105.0848 35.17733 66.72601 29.11454 38.35876       45.66291 
1 1 1 3   -3  36 o 83.82254 30.84975 199.7961       162.5989 1142.847       359.5238 -42.69561      182.3092 180.3956 42.40616 60.97047 27.89066 119.4251       50.75600 
1 1 1 3   -3  37 o 56.54828 26.41321 -74.72308      176.5262 -173.2703      220.4176 101.5370       294.7821 57.41138 27.58071 79.33495 35.96912 -21.92356      45.32630 
1 1 1 3   -2  0  o 279.0410 6.836820 1864.012       91.20747 1864.012       91.20747 0.000000       0.000000 279.0410 6.836820 ?        ?        0.000000       6.836820 
1 1 1 3   -2  1  o 406.9720 6.960919 3965.193       135.4377 4016.551       191.7070 3914.015       191.3691 409.2960 9.796978 404.0242 9.907317 5.271729       13.93326 
1 1 1 3   -2  2  o 164.4246 6.713964 648.2678       52.66713 624.7686       74.86564 671.2921       74.10532 161.1295 9.764328 167.0901 9.313482 -5.960663      13.49382 
1 1 1 3   -2  3  o 338.2275 8.365523 2740.960       135.2728 2818.052       153.7028 2476.083       284.9039 342.7206 9.389503 319.4592 18.73637 23.26144       20.95744 
1 1 1 3   -2  4  o 504.0077 7.245781 6083.577       174.5946 6379.030       248.0191 5793.332       245.8235 515.6579 10.06040 491.3432 10.46478 24.31470       14.51631 
1 1 1 3   -2  5  o 312.4527 6.986712 2338.134       104.3675 2371.625       148.5173 2305.459       146.6956 314.2293 9.898376 309.8078 9.916902 4.421448       14.01152 
1 1 1 3   -2  6  o 156.8695 9.128665 592.3655       68.16693 595.4260       96.76916 589.3510       96.04016 156.7130 13.03374 155.9113 13.00275 0.8017120      18.41059 
1 1 1 3   -2  7  o 200.9829 8.346175 970.5836       80.02189 1022.416       137.0353 943.7628       98.57475 205.3448 14.04308 197.8903 10.45627 7.454483       17.50833 
1 1 1 3   -2  8  o 256.8439 11.20708 1590.357       137.2851 1644.744       194.8042 1536.695       193.5033 260.1550 15.73596 251.3120 16.19138 8.843002       22.57834 
1 1 1 3   -2  9  o 265.6609 8.774941 1695.476       111.2971 1710.401       206.8833 1689.398       132.0307 265.2056 16.39696 264.9103 10.44527 0.2952881      19.44130 
1 1 1 3   -2  10 o 325.0919 9.253853 2538.031       143.6795 2572.323       167.6167 2443.029       278.9901 327.0228 10.73544 316.7574 18.50329 10.26544       21.39209 
1 1 1 3   -2  11 o 374.3318 9.585239 3363.000       171.3999 3398.011       195.8092 3248.248       354.4946 376.0569 10.90259 365.3259 20.37723 10.73099       23.11056 
1 1 1 3   -2  12 o 699.7158 8.272223 11727.00       276.7274 11627.61       395.3588 11822.47       387.4641 696.0082 11.88143 701.8960 11.54650 -5.887756      16.56774 
1 1 1 3   -2  13 o 318.6483 9.838475 2435.156       149.7018 2451.234       178.5844 2397.153       274.5529 319.4819 11.71183 314.8779 18.31700 4.603973       21.74119 
1 1 1 3   -2  14 o 654.8184 22.54862 10377.18       704.8564 10701.31       998.1623 10054.79       995.4781 661.0673 31.67470 640.2770 32.62794 20.79028       45.47383 
1 1 1 3   -2  15 o 245.6021 11.39843 1449.157       133.4749 1559.073       192.2297 1346.829       185.4754 254.1855 15.89796 236.0835 16.53742 18.10199       22.93974 
1 1 1 3   -2  16 o 135.9662 13.35792 447.9527       85.71194 547.9063       136.5127 382.9071       110.1243 149.5013 19.56870 124.6452 19.08658 24.85616       27.33553 
1 1 1 3   -2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   -2  18 o 382.4278 11.81550 3512.058       215.7688 3094.123       385.7526 3702.353       260.2964 356.6868 22.73950 392.3221 13.89965 -35.63531      26.65117 
1 1 1 3   -2  19 o 327.7449 12.48165 2582.840       195.2189 2564.617       325.3435 2593.093       244.0325 324.8389 21.06268 327.8563 15.61370 -3.017395      26.21877 
1 1 1 3   -2  20 o 484.4987 18.17278 5680.016       420.1960 5451.754       599.6036 5900.299       589.0312 471.3491 26.71746 491.1165 25.17077 -19.76743      36.70682 
1 1 1 3   -2  21 o 460.2651 17.39528 5130.796       382.0899 5149.825       546.6016 5112.612       534.3212 457.9383 25.06192 456.5102 24.57237 1.428070       35.09845 
1 1 1 3   -2  22 o 283.0553 14.25595 1937.566       192.2983 1938.096       295.7804 1937.178       253.0855 280.8089 22.21261 281.8067 18.89402 -0.9977722     29.16134 
1 1 1 3   -2  23 o 367.2271 15.14930 3267.756       265.4006 3445.914       385.4775 3107.191       365.9497 374.5371 21.61948 355.5901 21.62828 18.94699       30.58079 
1 1 1 3   -2  24 o 226.4342 14.85760 1247.044       159.9533 1270.855       231.8520 1225.418       220.9573 226.4428 21.68076 222.5626 21.01457 3.880264       30.19383 
1 1 1 3   -2  25 o 210.1965 15.65358 1078.987       156.1775 861.5580       222.1482 1291.477       219.6103 184.2176 25.94082 228.4957 20.31480 -44.27809      32.94871 
1 1 1 3   -2  26 f 80.78185 24.27894 164.7521       101.3178 221.2988       171.6822 134.5342       125.5028 94.79939 31.96711 77.12481 27.26919 17.67458       42.01791 
1 1 1 3   -2  27 o 190.0939 15.29274 884.6981       137.8112 620.9153       216.3784 1064.726       178.7558 153.4877 30.56162 207.6849 18.18641 -54.19720      35.56344 
1 1 1 3   -2  28 o 137.6921 23.48096 485.5618       149.0330 275.7429       203.9163 726.1400       218.3524 103.5937 34.83872 166.8398 28.39066 -63.24610      44.94180 
1 1 1 3   -2  29 o 78.13580 31.39020 96.54536       179.1508 -222.6183      326.4822 234.0510       214.2955 76.74818 35.87215 98.21741 35.52786 -21.46923      50.48802 
1 1 1 3   -2  30 o 370.7679 16.31888 3377.538       288.5597 3100.271       424.2455 3616.244       393.6409 348.3459 25.65403 379.7149 21.77505 -31.36893      33.64939 
1 1 1 3   -2  31 o 102.2366 26.85729 278.1740       132.9471 589.8637       353.6469 226.8747       143.4711 140.5635 45.82959 92.99426 29.07133 47.56922       54.27240 
1 1 1 3   -2  32 o 54.47365 25.25329 -105.5818      156.6621 -605.2000      214.5545 465.0002       229.2859 44.46951 22.37095 127.1618 36.06134 -82.69234      42.43677 
1 1 1 3   -2  33 o 152.7137 21.20693 601.6830       150.6607 574.9348       340.3271 608.2028       168.0220 134.3783 45.00551 152.1156 23.89032 -17.73729      50.95334 
1 1 1 3   -2  34 o 97.40764 25.80210 259.2379       122.0533 -216.9774      206.3271 515.5879       151.3809 56.58791 27.05120 139.5130 23.53229 -82.92509      35.85437 
1 1 1 3   -2  35 o 74.26595 31.67517 74.03288       198.2282 -360.9708      356.8909 268.1048       238.3803 69.92200 33.95394 96.85522 36.99062 -26.93322      50.21132 
1 1 1 3   -2  36 f 174.6673 18.12336 791.9841       149.1447 612.9962       245.9083 896.1372       187.5847 136.9962 36.77699 182.7001 21.91253 -45.70392      42.81011 
1 1 1 3   -2  37 o 75.40872 28.22715 154.8484       137.2009 449.8958       373.2770 108.7616       147.5278 106.0646 44.24926 69.90788 28.34217 36.15675       52.54784 
1 1 1 3   -2  38 o 62.03781 27.69689 27.72115       167.3450 -279.1840      224.6290 410.4924       250.8612 52.78325 25.90918 102.1366 38.18142 -49.35334      46.14225 
1 1 1 3   -1  0  o 72.36263 9.699995 127.7132       32.71342 127.7132       32.71342 0.000000       0.000000 72.36263 9.699995 ?        ?        0.000000       9.699995 
1 1 1 3   -1  1  o 301.6968 9.591668 2183.313       138.1723 2183.313       138.1723 0.000000       0.000000 301.6968 9.591668 ?        ?        0.000000       9.591668 
1 1 1 3   -1  2  o 477.5158 7.139903 5458.197       163.0003 5518.728       231.0033 5398.173       230.0343 479.8314 10.06981 474.5527 10.13911 5.278717       14.28995 
1 1 1 3   -1  3  o 800.2318 8.218263 15336.30       314.4157 14865.99       445.3104 15803.84       443.9944 787.0785 11.83413 811.6281 11.44227 -24.54956      16.46123 
1 1 1 3   -1  4  o 627.4304 10.32967 9439.492       309.8562 9405.056       328.8485 9712.055       925.1611 626.1586 10.98508 628.0864 30.90475 -1.927856      32.79902 
1 1 1 3   -1  5  o 431.2005 15.86237 4485.160       326.4485 4418.733       461.8922 4551.458       461.4440 425.9604 22.76371 432.4544 22.39507 -6.494019      31.93314 
1 1 1 3   -1  6  o 364.7823 8.968386 3189.634       156.4071 3159.254       342.0341 3197.666       175.8726 360.5714 19.91867 364.9704 10.08902 -4.398956      22.32805 
1 1 1 3   -1  7  o 123.4287 8.382342 366.8464       49.17061 344.9949       72.90993 385.0761       66.59396 119.0442 13.02285 126.1285 11.15866 -7.084389      17.14965 
1 1 1 3   -1  8  o 355.5881 13.80181 3053.841       234.1888 3067.461       331.8382 3040.325       330.5515 354.5270 19.65494 352.9464 19.66722 1.580688       27.80497 
1 1 1 3   -1  9  o 295.2147 9.060886 2094.060       127.7329 2225.476       248.1900 2046.710       148.9777 302.3477 17.24143 291.5579 10.70598 10.78979       20.29495 
1 1 1 3   -1  10 o 252.8917 7.871284 1535.136       95.05158 1558.393       138.9587 1514.686       130.3047 254.2167 11.46284 250.7247 10.89664 3.491989       15.81561 
1 1 1 3   -1  11 o 232.4883 9.149547 1298.995       101.4986 1345.325       173.9078 1275.061       124.9958 235.4385 15.53701 229.9925 11.40329 5.446060       19.27262 
1 1 1 3   -1  12 o 120.4241 11.44992 351.4394       65.12888 333.7904       100.1263 364.3836       85.74842 116.0134 18.68691 122.0616 15.00963 -6.048157      23.96852 
1 1 1 3   -1  13 o 272.2827 9.575186 1779.134       124.4512 1953.568       224.6031 1701.852       149.4992 284.2633 16.59893 266.0269 11.78376 18.23642       20.35637 
1 1 1 3   -1  14 o 454.5755 8.070586 4947.324       175.3959 4989.213       253.7677 4909.009       242.6970 455.9622 11.65078 452.4820 11.21902 3.480225       16.17427 
1 1 1 3   -1  15 f 98.91694 11.96271 238.0271       55.42503 256.4102       83.82162 223.7454       73.88165 101.7452 17.88438 95.05461 16.87566 6.690636       24.58941 
1 1 1 3   -1  16 o 353.6177 10.44369 2999.039       176.3682 3089.494       211.0320 2789.513       321.1815 358.6852 12.32458 339.5410 19.87250 19.14417       23.38400 
1 1 1 3   -1  17 o 332.9513 14.18476 2667.242       225.2759 2668.741       323.6031 2665.832       313.7995 331.8820 20.49483 331.8333 19.87091 0.4867554E-01  28.54630 
1 1 1 3   -1  18 o 349.7125 11.54469 2936.319       192.7552 2939.216       292.9751 2934.109       255.9542 348.8750 17.62224 348.9914 15.37825 -0.1163635     23.38876 
1 1 1 3   -1  19 o 581.5191 20.75222 8187.325       576.0235 8142.986       817.4705 8231.052       811.7996 576.1000 29.78123 579.4019 29.40239 -3.301880      41.84999 
1 1 1 3   -1  20 o 182.3545 14.31080 804.5893       123.7650 832.5743       188.9515 783.5605       163.7924 184.0714 21.90004 179.0230 19.44931 5.048370       29.28971 
1 1 1 3   -1  21 o 364.4751 15.19479 3206.848       264.1906 3163.848       380.9912 3246.675       366.6644 360.0186 22.24374 365.0942 21.09643 -5.075592      30.65686 
1 1 1 3   -1  22 o 364.4261 12.62966 3199.510       219.7114 3084.239       377.9857 3258.332       270.0115 354.8488 22.39466 367.0692 15.42036 -12.22031      27.19022 
1 1 1 3   -1  23 o 314.6930 14.37653 2395.764       215.7252 2426.984       315.3987 2368.320       295.7147 314.6107 21.09085 311.1682 19.98348 3.442444       29.05449 
1 1 1 3   -1  24 o 474.7491 17.60532 5488.891       398.8995 6082.428       571.6599 4925.632       556.8882 495.7910 24.19043 444.6570 26.31363 51.13406       35.74331 
1 1 1 3   -1  25 o 336.1832 12.95079 2734.633       207.7627 2645.613       332.9442 2791.403       265.8815 327.2690 21.39667 338.4041 16.48362 -11.13507      27.00977 
1 1 1 3   -1  26 f 100.7016 22.96177 260.6203       108.0869 46.22478       179.1098 383.4161       135.5512 73.49384 30.65546 122.3064 24.03924 -48.81253      38.95693 
1 1 1 3   -1  27 o 126.3821 22.64174 406.9929       131.7809 362.4343       300.1538 417.6330       146.6733 119.0870 42.16523 127.2925 24.99373 -8.205490      49.01625 
1 1 1 3   -1  28 o 91.82877 26.42197 218.5064       122.2204 286.0216       189.2676 170.2153       160.0697 104.7367 33.47404 85.90087 30.75188 18.83578       45.45536 
1 1 1 3   -1  29 o 107.3785 26.18474 303.3825       133.1960 231.5804       319.6632 318.4677       146.5214 105.9840 42.14714 109.6074 27.89526 -3.623306      50.54232 
1 1 1 3   -1  30 o 276.1514 15.27634 1869.701       200.8998 1852.592       301.2721 1883.401       269.5910 270.3172 23.54660 274.3315 20.70808 -4.014374      31.35709 
1 1 1 3   -1  31 o 155.7294 18.62579 607.5735       135.9266 662.8165       223.2722 575.0416       171.3371 157.0282 30.84148 148.8317 24.96251 8.196426       39.67775 
1 1 1 3   -1  32 o 86.78105 26.94532 197.0352       123.4803 409.7155       216.9264 95.09067       150.1864 120.5795 35.34955 73.20559 28.96052 47.37393       45.69794 
1 1 1 3   -1  33 o 164.2064 22.43386 698.2232       171.5172 494.9081       228.9861 958.0872       258.8792 130.5925 35.67350 187.7050 29.84594 -57.11256      46.51213 
1 1 1 3   -1  34 o 169.9790 17.85944 730.6986       142.9694 833.8106       230.5098 666.2342       182.2615 174.8150 28.56619 158.2964 24.90508 16.51860       37.89842 
1 1 1 3   -1  35 o 41.50641 20.63164 -351.0226      159.1718 -599.4269      209.5791 -12.44011      244.6812 43.15479 21.76056 73.79942 33.17713 -30.64463      39.67674 
1 1 1 3   -1  36 o 135.7906 24.97739 512.0560       156.1797 -52.79113      367.8354 636.2802       172.5008 81.31817 38.03038 152.0011 24.57579 -70.68296      45.28001 
1 1 1 3   -1  37 o 121.9749 24.51801 419.8345       138.0124 -65.26816      235.8512 672.4414       170.1939 66.37231 30.84337 155.9250 23.56525 -89.55269      38.81539 
1 1 1 3   -1  38 o 115.9082 35.79607 479.9073       218.2598 738.3430       384.1125 356.6784       265.2396 122.7568 46.93756 97.28633 38.48676 25.47049       60.69897 
1 1 1 3   0   0  o 240.5432 6.556546 1385.701       75.33060 1291.388       106.3539 1480.653       106.7141 231.9534 9.611396 248.4562 8.998736 -16.50279      13.16648 
1 1 1 3   0   1  o 406.2881 9.861021 3955.845       191.5421 0.000000       0.000000 3955.845       191.5421 ?        ?        406.2881 9.861021 0.000000       9.861021 
1 1 1 3   0   2  o 454.7984 7.087782 4950.866       154.1124 4739.038       217.6542 5163.841       218.2428 444.6486 10.23863 464.1987 9.833943 -19.55005      14.19633 
1 1 1 3   0   3  f 53.90768 7.982273 71.08392       19.95156 45.50872       27.71670 98.58781       28.74280 43.17118 12.63001 63.40561 9.797327 -20.23443      15.98452 
1 1 1 3   0   4  o 731.4875 8.014102 12811.97       280.2658 12919.83       396.3629 12704.11       396.3487 733.9576 11.29571 727.7842 11.39112 6.173462       16.04215 
1 1 1 3   0   5  f 648.5098 22.43047 10203.86       694.3989 10043.09       981.9500 10364.69       982.1069 638.3647 32.27928 648.8397 31.75662 -10.47491      45.28173 
1 1 1 3   0   6  o 231.4235 8.455882 1284.659       93.39938 1252.977       164.1577 1299.824       113.5742 227.6767 15.16764 232.6023 10.23818 -4.925613      18.29967 
1 1 1 3   0   7  o 389.6342 9.256545 3639.344       172.4306 3565.476       381.7088 3658.282       193.2747 382.8922 20.93159 390.3706 10.36511 -7.478424      23.35738 
1 1 1 3   0   8  o 528.2850 9.804461 6696.097       247.6284 6793.125       268.5677 6145.648       639.6834 531.9414 10.56043 499.4659 26.88777 32.47549       28.88728 
1 1 1 3   0   9  o 329.7537 13.11433 2624.244       206.3370 2806.554       292.1310 2442.746       291.4793 339.6100 18.05730 316.3455 19.36528 23.26450       26.47791 
1 1 1 3   0   10 o 218.5739 10.57253 1151.300       110.1528 1250.500       156.5065 1053.922       155.0628 227.0343 14.49461 208.0740 15.70358 18.96027       21.37045 
1 1 1 3   0   11 o 157.8654 9.733369 600.8593       73.10409 664.9371       107.8420 546.3792       99.43818 165.4290 13.75987 149.7933 14.04918 15.63565       19.66503 
1 1 1 3   0   12 o 197.8788 10.48005 943.1472       98.79147 932.9009       140.7612 953.0937       138.6864 195.9930 15.13949 198.1946 14.74195 -2.201599      21.13124 
1 1 1 3   0   13 o 67.11601 15.86026 112.9485       50.07944 117.6081       62.63865 104.6937       83.37270 68.60492 18.62377 67.20068 22.26986 1.404243       29.03088 
1 1 1 3   0   14 o 120.7668 10.69119 352.4365       61.09097 426.4564       89.42704 287.6664       83.65305 132.4327 14.35345 108.0481 16.73473 24.38462       22.04705 
1 1 1 3   0   15 o 338.3033 13.40038 2751.530       216.3076 3043.179       307.6731 2466.489       304.1672 354.9799 18.18980 319.1193 20.03773 35.86063       27.06251 
1 1 1 3   0   16 o 143.5123 12.00782 497.3264       81.63297 461.1915       131.8736 519.7750       103.9418 136.7313 20.83068 146.3270 15.07330 -9.595642      25.71229 
1 1 1 3   0   17 o 198.0236 14.65899 947.0807       137.7967 557.4788       226.0542 1177.450       173.8257 148.1180 32.78950 220.6279 16.60132 -72.50990      36.75262 
1 1 1 3   0   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0   19 o 233.6657 13.40518 1315.510       149.1247 1493.030       219.6606 1163.748       203.1001 248.1170 18.65431 218.6988 19.63346 29.41821       27.08239 
1 1 1 3   0   20 o 92.29085 24.96556 214.1310       112.7974 -293.2353      249.6427 344.2839       126.4401 63.89863 30.32170 117.1041 23.40317 -53.20548      38.30292 
1 1 1 3   0   21 o 505.2614 18.65359 6180.099       449.8220 6129.888       640.1320 6229.077       632.2305 499.8441 26.88610 504.1503 26.32170 -4.306183      37.62571 
1 1 1 3   0   22 o 85.83875 23.68279 185.5746       100.3505 247.8003       160.1440 145.3440       128.7669 99.72984 30.63781 80.20371 27.67103 19.52612       41.28391 
1 1 1 3   0   23 o 280.2613 14.21190 1899.651       189.8033 2351.898       299.3958 1595.760       245.4234 310.1344 20.30403 255.2263 20.27988 54.90814       28.69716 
1 1 1 3   0   24 o 60.50459 23.51275 58.75961       97.51259 137.9633       159.0847 11.09120       123.4159 82.22514 30.46941 59.38725 25.14799 22.83789       39.50704 
1 1 1 3   0   25 o 266.2068 14.40396 1720.470       182.6370 2279.284       271.6181 1259.316       246.7451 304.9759 18.71899 224.7146 23.30523 80.26129       29.89204 
1 1 1 3   0   26 o 50.14675 22.50736 -45.74576      112.1025 -198.8777      275.2879 -15.30426      122.7403 71.61433 33.29399 55.94377 24.39376 15.67056       41.27403 
1 1 1 3   0   27 o 184.5288 18.09921 840.7121       157.6215 788.5167       210.3182 907.5933       238.0743 175.8358 25.78425 188.2163 27.24924 -12.38051      37.51464 
1 1 1 3   0   28 o 89.67165 25.19538 207.9093       112.4612 38.72490       180.1676 315.9080       143.9480 72.54339 30.53422 109.6421 27.50993 -37.09868      41.09908 
1 1 1 3   0   29 o 72.18666 30.73135 28.23226       185.9842 -0.1997849E-02 305.5045 44.85768       234.4315 86.85751 38.16286 80.94787 34.48326 5.909637       51.43441 
1 1 1 3   0   30 f 163.4028 17.99951 665.2899       138.2874 737.0887       219.7514 618.2153       177.9371 167.3719 28.48176 154.6564 24.91129 12.71547       37.83891 
1 1 1 3   0   31 o 350.0250 14.52909 2996.087       242.6054 3182.666       392.4663 2880.700       308.6365 354.6488 23.27569 340.4801 19.03619 14.16870       30.06882 
1 1 1 3   0   32 o 105.1010 26.35878 294.4763       132.1956 -310.5960      223.5918 619.6555       163.9131 56.27300 27.21860 155.3049 22.75048 -99.03194      35.47445 
1 1 1 3   0   33 o 174.1738 18.36629 764.6564       150.6372 811.6918       252.6201 738.7039       187.6487 171.1804 32.04527 168.1957 24.01699 2.984680       40.04642 
1 1 1 3   0   34 o 44.41071 21.33727 -169.9227      131.9965 -542.7426      343.3071 -105.2484      142.9879 64.53674 31.74844 51.19015 23.86457 13.34660       39.71751 
1 1 1 3   0   35 f 158.8457 19.59509 649.3978       145.6586 585.9919       235.4561 688.7059       185.3900 140.3121 35.17157 160.2583 25.01347 -19.94623      43.15916 
1 1 1 3   0   36 o 101.0733 30.54354 302.3564       160.0331 101.3187       227.5488 499.1127       225.1127 79.04072 33.83014 125.6710 35.76281 -46.63025      49.22861 
1 1 1 3   0   37 o 91.75850 28.00264 248.7360       134.0639 239.4811       228.4026 253.6005       165.5900 90.16908 35.70069 91.45322 31.38574 -1.284142      47.53529 
1 1 1 3   0   38 o 51.13436 24.57572 -165.6475      175.4337 -528.2239      232.7098 311.7047       267.0143 46.86568 23.53881 94.27898 38.16349 -47.41330      44.83891 
1 1 1 3   0   39 o 105.4678 30.98466 376.7493       166.5123 1107.298       414.1370 235.8743       181.8596 143.9784 49.62652 83.71207 32.22332 60.26630       59.17038 
1 1 1 3   1   0  o 338.9513 6.838950 2749.650       110.8243 2814.622       156.6841 2684.604       156.7745 342.6013 9.575327 334.5619 9.812057 8.039429       13.70997 
1 1 1 3   1   1  o 179.5859 7.641218 773.4980       65.45600 0.000000       0.000000 773.4980       65.45600 ?        ?        179.5859 7.641218 0.000000       7.641218 
1 1 1 3   1   2  o 597.3938 20.79636 8636.468       593.0530 8657.613       838.6563 8615.316       838.7507 594.4251 29.60379 592.9294 29.68280 1.495667       41.92199 
1 1 1 3   1   3  o 531.4166 9.461677 6766.335       240.3873 6854.770       258.9266 6214.287       646.9259 534.7880 10.12714 504.4807 26.92012 30.30737       28.76199 
1 1 1 3   1   4  o 171.3186 7.075078 703.6986       57.82406 776.9440       81.69108 630.1494       81.86032 179.8209 9.536340 161.7777 10.64304 18.04323       14.29042 
1 1 1 3   1   5  o 179.5506 7.253777 772.9448       62.13902 784.6467       87.01247 760.7654       88.76956 180.6549 10.11489 177.8370 10.48736 2.817932       14.57037 
1 1 1 3   1   6  o 609.4767 10.22267 8905.314       297.8721 8931.909       317.6971 8711.961       856.6391 610.2675 10.88892 595.5134 30.18679 14.75409       32.09066 
1 1 1 3   1   7  o 657.7830 22.78896 10518.11       715.5814 10647.45       1012.067 10388.81       1011.903 656.3162 32.35405 648.0035 32.76914 8.312622       46.04998 
1 1 1 3   1   8  o 440.3753 9.542463 4650.496       200.9055 4443.616       469.3469 4696.907       222.3012 426.6159 23.09783 442.4183 10.50994 -15.80243      25.37654 
1 1 1 3   1   9  o 178.3337 9.155403 764.8634       77.79707 784.3406       119.4306 750.5072       102.5353 179.8788 13.99772 176.2247 12.24640 3.654129       18.59867 
1 1 1 3   1   10 f 181.8318 10.06649 796.7422       87.16815 849.1744       123.2372 744.2468       123.3116 187.0801 13.87745 174.8712 14.89101 12.20888       20.35499 
1 1 1 3   1   11 f 427.7427 9.751926 4395.705       199.4258 4088.298       442.9653 4473.851       223.3401 407.3725 22.83555 431.1389 10.84391 -23.76639      25.27950 
1 1 1 3   1   12 o 67.02447 15.56222 112.9340       48.90732 60.84126       83.52466 140.1133       60.33167 58.10788 21.96513 74.56441 17.26476 -16.45654      27.93813 
1 1 1 3   1   13 o 404.1205 15.30379 3945.233       295.1432 3908.503       417.1378 3982.055       417.6537 400.0512 21.89345 403.8793 21.70978 -3.828094      30.83241 
1 1 1 3   1   14 o 133.7701 10.73337 431.9790       68.06850 379.1147       95.43895 486.7103       97.10961 124.3734 16.45379 141.5046 14.56198 -17.13124      21.97222 
1 1 1 3   1   15 o 261.2390 9.226508 1636.810       115.0539 1739.814       162.1640 1532.405       163.2631 268.9605 12.64665 252.2591 13.58747 16.70142       18.56225 
1 1 1 3   1   16 o 51.78914 20.72111 31.66087       77.73454 111.3125       109.2495 -50.01655      110.6300 72.22964 25.45074 49.92926 22.38838 22.30038       33.89660 
1 1 1 3   1   17 o 522.6025 11.93991 6549.826       298.3191 6651.101       336.6357 6179.372       643.8375 526.2397 13.39125 503.6378 26.83615 22.60190       29.99174 
1 1 1 3   1   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   1   19 o 221.1604 14.53106 1180.479       152.7920 1363.376       251.0883 1072.927       192.5450 236.2743 22.49934 209.9870 19.39842 26.28732       29.70722 
1 1 1 3   1   20 o 356.8116 12.78327 3061.048       217.7142 3152.671       366.1990 3010.958       270.7628 360.2799 21.35608 353.2837 16.07297 6.996185       26.72869 
1 1 1 3   1   21 o 717.4897 24.98165 12560.03       855.6222 12598.12       1212.104 12522.19       1207.972 711.0905 35.76872 708.9507 35.75500 2.139771       50.57491 
1 1 1 3   1   22 o 470.6302 17.69618 5363.708       397.4599 5550.979       566.2501 5181.838       558.0266 475.7773 24.98162 459.3972 25.50741 16.38004       35.70308 
1 1 1 3   1   23 o 64.51395 24.10706 78.61556       99.98312 -36.87002      156.3756 158.4724       130.0353 61.73973 27.20852 82.43177 27.82091 -20.69204      38.91410 
1 1 1 3   1   24 o 91.58890 26.38751 212.7058       121.8266 109.9985       269.5688 239.0670       136.5688 93.34312 38.13634 96.88949 27.94581 -3.546371      47.27948 
1 1 1 3   1   25 o 108.8932 31.76866 307.7159       175.5749 269.2252       282.2533 332.0101       224.2395 109.4896 40.58300 113.6700 36.44661 -4.180328      54.54663 
1 1 1 3   1   26 o 195.6489 15.17369 934.5396       140.8223 797.4510       212.8326 1041.290       187.8115 177.0751 25.90686 205.2878 19.36478 -28.21269      32.34440 
1 1 1 3   1   27 o 231.3905 14.83586 1305.375       163.2572 1359.034       244.5315 1262.223       219.2870 233.3704 22.18343 225.5057 20.56590 7.864716       30.24997 
1 1 1 3   1   28 f 226.0185 16.78960 1254.656       180.1274 1428.378       327.8296 1179.528       215.5863 234.8458 29.87344 217.4816 20.99504 17.36415       36.51320 
1 1 1 3   1   29 o 102.7082 24.80522 275.3833       120.4185 187.7451       195.3780 329.0675       152.9157 91.28254 33.77746 111.4098 28.57388 -20.12723      44.24233 
1 1 1 3   1   30 o 203.6765 18.56297 1031.930       178.7734 1202.322       242.6263 829.5446       264.4254 217.4060 23.72779 175.4147 32.73405 41.99135       40.42927 
1 1 1 3   1   31 o 138.4350 21.44683 489.1349       137.3567 370.9774       222.6139 561.7726       174.5432 115.9334 36.20803 146.6235 25.84347 -30.69012      44.48490 
1 1 1 3   1   32 o 103.7884 31.41083 291.0140       169.1616 196.6281       218.9982 430.6354       266.3561 93.19726 35.48841 123.0823 39.74617 -29.88509      53.28400 
1 1 1 3   1   33 o 117.5170 25.50897 368.9476       139.1976 636.6999       237.8055 229.3943       171.6822 150.2130 33.91876 93.37208 31.96054 56.84097       46.60427 
1 1 1 3   1   34 o 120.4334 29.53265 404.2492       168.7198 385.9174       225.3750 427.6211       254.4786 114.7578 36.51128 119.4688 38.87124 -4.710945      53.32961 
1 1 1 3   1   35 o 82.69823 27.34314 182.0146       125.7064 265.5921       223.2288 143.2035       152.1189 98.20808 36.14622 78.33017 29.63518 19.87791       46.74178 
1 1 1 3   1   36 o 76.22808 30.78399 121.7379       173.2764 127.8249       230.3064 113.7974       263.0435 82.03854 34.52614 83.61848 36.08828 -1.579933      49.94415 
1 1 1 3   1   37 o 82.97917 28.76811 197.6120       139.2488 161.7120       241.3669 215.5218       170.4803 83.49782 35.25398 86.10532 31.60564 -2.607506      47.34722 
1 1 1 3   1   38 o 83.22802 32.34782 204.2798       184.5826 422.3578       246.2094 -75.58993      278.9181 107.7404 38.18477 69.29688 32.63140 38.44355       50.22833 
1 1 1 3   1   39 o 64.76673 27.03921 90.64646       139.5272 -58.30817      254.1216 154.9300       166.9416 65.19629 30.83549 74.09126 30.10849 -8.894966      43.09697 
1 1 1 3   2   0  o 478.8429 9.162206 5492.903       209.7498 5159.164       537.0914 5552.962       227.8426 460.4086 24.48845 481.3666 9.900351 -20.95804      26.41404 
1 1 1 3   2   1  o 221.3446 5.422482 1172.048       57.38197 1164.784       99.07043 1175.715       70.39153 220.2887 9.428640 221.5487 6.653271 -1.259949      11.53973 
1 1 1 3   2   2  o 487.3513 9.441686 5690.632       219.9885 5683.284       238.3390 5732.915       571.7191 486.9383 10.23795 485.3090 24.72232 1.629303       26.75834 
1 1 1 3   2   3  o 623.6579 10.23218 9322.760       305.0864 9289.827       323.7701 9583.650       911.2831 622.4457 10.87995 624.9734 30.59179 -2.527649      32.46893 
1 1 1 3   2   4  o 123.5781 8.560285 367.4928       50.26268 367.5898       70.82733 367.3943       71.33976 123.1754 12.18687 123.1293 12.28255 0.4606628E-01  17.30263 
1 1 1 3   2   5  o 267.6390 8.471404 1717.179       108.2594 1656.964       202.6492 1741.228       128.0654 261.8897 16.26549 269.3624 9.961740 -7.472717      19.07360 
1 1 1 3   2   6  o 556.5156 19.54486 7489.663       519.2105 7290.760       734.0475 7688.812       734.5018 545.6669 28.23369 560.7477 27.48158 -15.08087      39.40024 
1 1 1 3   2   7  o 643.0999 22.32510 10044.92       685.3637 10047.51       968.9521 10042.32       969.5493 637.9973 31.86781 637.8140 31.89686 0.1833496      45.08843 
1 1 1 3   2   8  o 433.3904 9.595156 4503.918       198.8106 4356.038       459.6703 4537.947       220.5012 422.5765 22.83754 434.8744 10.60569 -12.29788      25.18003 
1 1 1 3   2   9  o 250.5431 9.128194 1507.524       109.1564 1512.723       189.5316 1504.944       133.5244 249.7920 15.95404 250.0357 11.19834 -0.2436981     19.49191 
1 1 1 3   2   10 o 163.9435 9.598098 647.5919       74.90035 610.7729       101.9044 690.8549       110.4627 158.5619 13.57310 168.6591 13.82037 -10.09720      19.37090 
1 1 1 3   2   11 o 362.7462 14.11571 3183.848       244.3342 3447.861       345.7892 2920.592       345.2927 375.5588 19.32359 344.8561 21.04329 30.70273       28.56958 
1 1 1 3   2   12 o 170.5255 10.27013 701.2959       83.34051 762.7751       120.1839 644.3497       115.6683 177.1615 14.31126 162.5848 15.05164 14.57672       20.76930 
1 1 1 3   2   13 o 382.0584 14.71600 3525.674       268.2965 3530.350       379.4222 3520.997       379.4350 380.3116 20.94863 379.7949 20.97829 0.5166931      29.64682 
1 1 1 3   2   14 o 215.7448 9.743382 1118.279       100.2389 1206.786       141.9829 1030.328       141.5365 223.6604 13.33877 206.4305 14.43214 17.22992       19.65221 
1 1 1 3   2   15 f 224.6252 11.28191 1213.081       120.7694 1417.775       171.3075 1010.824       170.2845 242.4063 14.85300 204.0849 17.62498 38.32147       23.04889 
1 1 1 3   2   16 o 138.5504 11.53576 463.4235       75.71951 355.8301       106.2500 574.4608       107.9371 120.0543 19.15483 153.9309 14.85100 -33.87663      24.23757 
1 1 1 3   2   17 o 524.5602 12.24502 6600.144       307.0883 6645.680       346.4187 6433.070       663.5521 525.9481 13.78875 513.7924 27.10931 12.15564       30.41454 
1 1 1 3   2   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   2   19 o 338.3163 14.82084 2756.455       239.1382 2728.780       337.8188 2784.252       338.5672 335.3210 21.18067 338.7660 21.00772 -3.445007      29.83195 
1 1 1 3   2   20 o 275.5494 14.23351 1829.905       186.8725 1688.131       266.0880 1967.884       262.5038 263.2721 21.32268 284.8097 19.39417 -21.53757      28.82344 
1 1 1 3   2   21 o 668.5532 13.03460 10740.16       416.6220 11773.39       1093.835 10564.84       450.5854 689.4435 33.28355 662.7466 14.22071 26.69684       36.19424 
1 1 1 3   2   22 o 534.0693 13.03031 6860.426       332.7062 8332.604       756.9725 6507.937       370.4013 581.9834 27.28171 519.4603 14.93009 62.52313       31.09983 
1 1 1 3   2   23 o 91.52445 24.03543 212.6379       106.5001 210.0238       165.6820 214.4786       139.0276 93.90409 31.40107 92.87792 28.54900 1.026169       42.43904 
1 1 1 3   2   24 o 75.44726 25.04160 134.4222       105.4068 -52.96849      168.2956 255.3801       135.2122 62.64305 27.88351 99.87299 27.46515 -37.22995      39.13853 
1 1 1 3   2   25 o 109.0711 27.14565 307.8812       140.9889 293.1341       180.5968 330.8954       225.6086 106.7486 32.48597 113.6283 36.56971 -6.879646      48.91505 
1 1 1 3   2   26 o 96.20444 26.54202 239.0908       126.0456 497.5068       294.4276 181.1024       139.4727 135.2595 41.54049 86.33366 28.80938 48.92588       50.55287 
1 1 1 3   2   27 o 271.4337 15.98023 1799.712       206.4570 1731.305       336.1709 1841.137       261.6046 260.9258 27.35467 272.8284 20.19942 -11.90262      34.00433 
1 1 1 3   2   28 f 201.7280 15.98194 998.0768       152.8773 1003.416       234.1106 994.1071       201.8591 198.6392 25.21944 199.3066 21.52559 -0.6673737     33.15677 
1 1 1 3   2   29 f 158.3059 18.52529 624.1373       137.5589 867.1586       219.3437 466.5942       176.6048 183.9212 25.64120 132.9331 28.63469 50.98811       38.43718 
1 1 1 3   2   30 o 205.3006 16.47519 1039.719       160.3506 1222.648       251.8290 914.9748       207.9572 218.8520 24.48768 189.5224 23.45103 29.32957       33.90571 
1 1 1 3   2   31 o 135.7374 33.65241 508.9010       217.2935 475.7543       364.2926 527.2075       270.7277 129.0408 46.36827 135.6419 39.41343 -6.601166      60.85585 
1 1 1 3   2   32 o 216.3683 16.80820 1159.454       172.5066 1138.398       269.5665 1174.057       224.4939 208.3790 27.74749 215.0414 22.15265 -6.662354      35.50582 
1 1 1 3   2   33 o 88.22260 28.46317 204.5950       136.6162 284.6216       237.7789 165.1594       166.9169 103.5188 37.42686 84.06558 31.19944 19.45319       48.72551 
1 1 1 3   2   34 o 132.4075 28.42122 481.7693       174.5316 315.7846       233.3612 692.4741       262.9249 105.6760 37.20005 153.6204 36.36672 -47.94431      52.02290 
1 1 1 3   2   35 o 75.71563 28.94322 128.5517       146.0282 406.3475       398.1331 85.37093       156.9678 115.7984 46.69868 71.46890 29.13828 44.32948       55.04368 
1 1 1 3   2   36 o 84.01779 32.38634 178.1091       183.8871 88.01556       256.3164 273.6585       263.9633 81.38812 35.37278 98.09779 38.52098 -16.70967      52.29818 
1 1 1 3   2   37 o 74.69084 28.11375 144.4767       136.5031 -102.4475      264.9250 233.7253       159.2729 68.15015 32.00076 88.73170 30.76685 -20.58154      44.39198 
1 1 1 3   2   38 f 65.37495 27.67793 69.63039       149.4464 -501.7427      451.5877 139.9023       158.3700 70.41895 34.96050 74.40186 29.64029 -3.982910      45.83430 
1 1 1 3   2   39 o 62.97169 26.68200 74.21346       139.0724 -209.2047      268.8716 177.7366       162.4986 60.33563 29.33831 76.89763 30.21552 -16.56200      42.11549 
1 1 1 3   3   0  f 131.3728 6.705702 414.1096       41.97775 414.6954       59.11411 413.5138       59.62011 131.2206 9.486866 131.0225 9.584141 0.1981354      13.48541 
1 1 1 3   3   1  o 437.0370 9.107872 4575.508       190.3021 4546.005       466.7360 4581.391       208.4125 432.6814 22.64168 437.2257 9.970336 -4.544312      24.73971 
1 1 1 3   3   2  o 308.7987 6.316181 2281.787       93.24776 2207.353       253.1532 2293.471       100.2999 302.1744 17.59954 309.5643 6.777061 -7.389923      18.85928 
1 1 1 3   3   3  o 373.8048 8.858883 3346.926       158.3187 3366.867       177.0958 3267.564       353.2932 374.6936 9.894728 367.2557 20.19919 7.437897       22.49251 
1 1 1 3   3   4  o 311.6304 12.51369 2334.540       186.0585 2376.438       263.0306 2292.580       263.2225 313.5631 17.61663 307.8968 17.95970 5.666321       25.15743 
1 1 1 3   3   5  o 745.8954 10.72988 13340.11       382.6318 12600.32       1232.339 13419.04       402.5263 712.8531 36.27876 747.9842 11.25624 -35.13110      37.98488 
1 1 1 3   3   6  o 679.7465 10.50410 11079.74       341.3611 11128.07       361.1148 10673.83       1046.453 681.1060 11.08976 657.1266 33.41879 23.97937       35.21077 
1 1 1 3   3   7  o 329.0270 13.06920 2605.615       205.1748 2687.230       289.9334 2523.743       290.3891 333.0762 18.27739 322.6040 18.91085 10.47214       26.29987 
1 1 1 3   3   8  o 302.7561 12.43703 2206.764       179.6355 2295.121       253.9245 2118.242       254.1617 307.7543 17.32806 295.4399 18.08079 12.31436       25.04350 
1 1 1 3   3   9  o 293.0052 12.29648 2068.825       171.8692 2183.467       242.3993 1952.926       243.7257 299.9575 16.97223 283.3360 18.08692 16.62146       24.80309 
1 1 1 3   3   10 o 323.4406 13.11979 2526.371       202.4545 2653.564       285.6464 2397.983       286.9861 329.9763 18.17684 313.2657 19.25498 16.71063       26.47927 
1 1 1 3   3   11 o 352.5059 9.789025 2987.882       164.8138 2971.728       326.8963 2993.388       190.8451 348.4602 19.70250 352.4784 11.33981 -4.018158      22.73279 
1 1 1 3   3   12 o 264.8826 11.74462 1691.907       148.3609 1646.772       209.3396 1737.454       210.2916 260.1021 16.92640 267.3033 16.53640 -7.201141      23.66338 
1 1 1 3   3   13 o 30.91619 14.04794 -27.39217      45.26994 196.3432       86.41367 -112.0212      53.14651 88.12762 20.83956 25.34140 12.47145 62.78622       24.28629 
1 1 1 3   3   14 o 144.6418 12.20509 505.9837       83.61323 519.5884       118.6555 492.5648       117.8426 145.7383 17.37121 141.7666 17.77659 3.971619       24.85490 
1 1 1 3   3   15 o 317.4452 13.14231 2423.591       199.0254 2592.615       281.6529 2255.020       281.2762 327.4829 18.05934 305.0821 19.38473 22.40076       26.49354 
1 1 1 3   3   16 o 269.2728 10.92505 1740.839       140.3530 1844.962       225.9954 1675.464       179.0728 276.3559 17.19009 263.7519 14.25419 12.60400       22.33117 
1 1 1 3   3   17 o 91.63532 24.75623 210.3659       110.9996 148.5128       216.5218 232.4165       129.2800 92.24902 35.24839 96.42432 26.98553 -4.175308      44.39220 
1 1 1 3   3   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   3   19 o 175.2730 15.27245 744.2205       126.7004 750.7642       186.5932 738.6224       172.5880 174.6274 22.90125 173.5377 21.24471 1.089737       31.23787 
1 1 1 3   3   20 o 267.0939 15.09217 1721.455       191.9347 1428.668       290.1329 1949.304       255.9439 241.0196 25.56844 283.5313 18.99097 -42.51161      31.84968 
1 1 1 3   3   21 o 305.7705 14.66125 2254.858       213.7016 2467.591       304.2323 2047.662       300.2465 318.7054 20.06865 289.7668 21.83371 28.93863       29.65572 
1 1 1 3   3   22 o 515.8185 19.08839 6453.342       469.9208 6719.680       666.3057 6189.765       662.8446 522.7726 26.74845 501.1394 27.77454 21.63321       38.56040 
1 1 1 3   3   23 f 282.5132 14.70986 1930.848       197.9964 2029.008       285.2125 1839.538       275.0807 287.9271 20.86089 273.9905 21.16379 13.93655       29.71671 
1 1 1 3   3   24 o 131.0121 20.64051 428.5666       125.0091 464.3401       185.9730 399.0792       168.8447 133.9711 29.80467 124.2599 28.95955 9.711166       41.55688 
1 1 1 3   3   25 o 194.1403 15.60000 919.5352       143.5755 995.4995       218.1745 861.5084       190.6838 199.6777 23.29105 186.0690 21.85134 13.60866       31.93672 
1 1 1 3   3   26 o 157.0264 21.23780 617.2401       155.3540 710.6791       200.8952 478.2403       245.0262 166.9402 26.01885 133.1397 37.11099 33.80055       45.32336 
1 1 1 3   3   27 o 90.48112 25.83027 210.8249       117.2509 464.5526       193.5018 63.61393       147.3911 132.3747 31.10569 70.01107 28.34902 62.36361       42.08600 
1 1 1 3   3   28 o 75.90730 26.47154 133.5492       117.9907 479.6431       194.1862 -69.01359      148.5598 134.2861 30.89054 56.46166 25.57318 77.82440       40.10253 
1 1 1 3   3   29 o 153.9220 19.06176 591.9666       137.2773 459.6977       219.9673 676.3460       175.6901 129.7441 34.76236 163.0898 23.18505 -33.34576      41.78478 
1 1 1 3   3   30 o 75.55219 32.26276 34.08057       206.0940 174.7158       346.2578 -43.07606      256.4715 102.9140 42.75040 76.92947 34.32055 25.98458       54.82241 
1 1 1 3   3   31 o 269.4389 17.24542 1795.866       220.9818 1990.188       385.1157 1700.478       269.8221 274.9366 29.77339 259.4735 21.95676 15.46301       36.99397 
1 1 1 3   3   32 f 203.5314 17.49793 1029.954       168.6144 952.7421       263.6139 1083.415       219.3542 188.8090 30.22260 206.1982 22.62216 -17.38925      37.75139 
1 1 1 3   3   33 o 158.4470 26.44044 665.0833       193.2372 631.8967       257.3177 708.0042       292.6331 148.1411 36.55815 154.9729 39.41225 -6.831848      53.75708 
1 1 1 3   3   34 o 178.4991 19.44929 811.6050       163.2957 1184.587       273.5191 605.0352       203.5527 209.6938 27.98081 147.8517 29.82676 61.84212       40.89696 
1 1 1 3   3   35 o 76.01238 30.01610 119.1716       161.0657 205.5650       424.4457 104.6382       174.0869 103.2044 45.17401 75.75216 30.75986 27.45224       54.65217 
1 1 1 3   3   36 o 151.5004 28.41466 647.0624       198.2507 561.6285       273.5854 741.5280       287.6832 130.7361 40.02303 151.8878 39.31490 -21.15173      56.10262 
1 1 1 3   3   37 o 83.50292 29.00689 200.4365       141.6026 58.95905       264.6123 257.2085       167.6230 77.51890 34.70250 92.13676 31.57919 -14.61787      46.92024 
1 1 1 3   3   38 o 193.1261 19.24955 991.7515       175.3692 1486.345       309.1932 757.1821       212.9321 222.2974 29.84636 158.8910 29.10283 63.40640       41.68669 
1 1 1 3   3   39 o 46.47383 23.38923 -530.3983      235.8589 -513.4895      454.8861 -536.6155      275.8336 67.11745 33.59576 51.25216 25.72612 15.86530       42.31440 
1 1 1 3   4   0  o 383.9746 6.978503 3528.970       128.1071 3568.949       180.9937 3488.834       181.3484 385.7739 9.821447 381.3999 9.953967 4.373993       13.98364 
1 1 1 3   4   1  o 507.6242 7.248215 6168.261       175.9064 6140.250       248.7525 6196.281       248.7860 506.1169 10.28036 508.4272 10.23502 -2.310242      14.50660 
1 1 1 3   4   2  o 581.6338 20.39714 8185.046       566.3104 0.000000       0.000000 8185.046       566.3104 ?        ?        581.6338 20.39714 0.000000       20.39714 
1 1 1 3   4   3  o 478.2247 17.14260 5516.769       391.3038 5356.332       553.2086 5677.414       553.5659 468.9121 24.76462 483.0538 24.04545 -14.14175      34.51767 
1 1 1 3   4   4  o 853.1215 11.56153 17462.26       471.5573 17724.34       1654.213 17439.08       491.9699 840.6546 41.28534 852.4136 12.07201 -11.75903      43.01410 
1 1 1 3   4   5  o 599.2570 10.12566 8609.840       290.0979 8434.702       829.2903 8634.260       309.6628 585.8636 29.70443 599.9847 10.79544 -14.12103      31.60530 
1 1 1 3   4   6  o 477.1222 17.22564 5499.059       392.2835 5534.481       554.5015 5463.568       555.0442 476.1614 24.43968 473.0176 24.62864 3.143768       34.69680 
1 1 1 3   4   7  o 374.8400 9.307920 3368.796       166.8042 3424.862       362.2894 3353.714       187.9054 375.3246 20.26534 373.6971 10.52796 1.627472       22.83685 
1 1 1 3   4   8  o 168.5221 8.435689 682.4971       67.74899 686.5486       91.02242 677.4645       101.4460 168.6620 11.35431 167.3244 12.77806 1.337646       17.09383 
1 1 1 3   4   9  o 337.5021 9.041059 2735.480       145.7514 2821.979       167.8385 2470.180       293.9373 342.5752 10.25928 318.0410 19.42404 24.53421       21.96693 
1 1 1 3   4   10 o 291.7471 12.28975 2054.332       171.0347 2198.709       241.7840 1909.725       241.9754 300.5843 16.89289 279.6674 18.19640 20.91684       24.82899 
1 1 1 3   4   11 o 251.3965 11.50541 1524.313       137.9166 1694.578       194.6651 1352.717       195.4243 264.1678 15.48130 235.3944 17.48994 28.77347       23.35742 
1 1 1 3   4   12 o 231.3071 10.10368 1287.409       111.4623 1330.813       173.1382 1256.688       145.6616 234.1443 15.55501 227.9510 13.42525 6.193298       20.54740 
1 1 1 3   4   13 o 96.26927 13.36858 227.1933       59.87109 93.32627       92.23310 324.6768       78.70742 66.05544 23.37500 115.1851 14.62162 -49.12961      27.57141 
1 1 1 3   4   14 o 284.7387 12.37826 1950.451       168.1031 2129.930       236.8941 1768.404       238.5822 296.8121 16.76227 269.9971 18.59651 26.81500       25.03605 
1 1 1 3   4   15 o 454.6447 10.62407 4954.815       230.9251 4919.971       509.2288 4963.836       259.0978 449.9573 23.75608 454.7397 11.92800 -4.782440      26.58249 
1 1 1 3   4   16 o 69.95380 16.76089 122.4369       55.32043 52.62405       75.84261 201.8097       80.86887 55.21519 20.91729 89.79701 19.40422 -34.58182      28.53168 
1 1 1 3   4   17 o 461.0941 12.26959 5103.668       270.2352 5136.104       313.2487 5009.288       534.3363 462.2314 14.19176 453.9077 24.71613 8.323700       28.50075 
1 1 1 3   4   18 o 274.6132 13.89602 1815.794       181.8471 1625.754       254.4207 2014.278       260.0118 258.6214 20.75089 288.4066 18.96250 -29.78525      28.11006 
1 1 1 3   4   19 f 386.7338 13.65045 3596.980       251.9915 3658.563       412.0176 3560.178       318.5072 388.0938 22.29991 384.0243 17.39326 4.069458       28.28094 
1 1 1 3   4   20 o 422.2773 16.48225 4301.808       332.1145 4657.197       472.0226 3953.385       467.3735 437.6622 22.63568 402.5876 24.39712 35.07458       33.28053 
1 1 1 3   4   21 o 135.5162 21.89580 456.4448       137.0252 61.89402       265.5611 599.6042       159.9643 89.86931 37.39416 155.6981 22.11075 -65.82875      43.44201 
1 1 1 3   4   22 o 371.3912 15.56168 3332.947       275.6976 3464.904       393.4422 3205.642       386.4426 376.7123 21.94049 362.1253 22.43133 14.58704       31.37754 
1 1 1 3   4   23 o 346.4030 15.18747 2903.236       250.9103 3143.821       360.2315 2676.533       349.6849 358.5293 21.10934 330.2883 22.27526 28.24106       30.68862 
1 1 1 3   4   24 o 337.8068 15.39425 2766.804       247.9660 2850.111       352.7795 2685.454       348.6116 340.4898 21.78589 330.2922 22.20578 10.19754       31.10823 
1 1 1 3   4   25 o 438.2397 17.41016 4682.089       364.0472 4862.774       517.2405 4504.718       512.4736 442.4225 24.55009 425.2654 25.32059 17.15714       35.26811 
1 1 1 3   4   26 o 342.4045 15.68630 2855.788       256.1022 2952.293       365.7884 2762.997       358.6825 344.9166 22.30189 333.4503 22.63353 11.46637       31.77501 
1 1 1 3   4   27 o 160.9593 19.04289 644.0972       143.7055 823.6379       210.4904 487.3541       196.6731 179.9420 25.15391 135.5919 31.01419 44.35007       39.93243 
1 1 1 3   4   28 o 119.9056 28.88254 380.1056       163.5920 270.3640       202.6787 585.2523       277.1117 103.0286 34.73318 145.1388 39.07473 -42.11020      52.28029 
1 1 1 3   4   29 o 83.65897 30.67199 156.1560       160.4833 104.7085       201.9839 244.2404       264.2924 82.28086 33.23350 103.2587 39.06330 -20.97783      51.28749 
1 1 1 3   4   30 o 81.28655 27.68035 161.9274       128.7461 55.91518       207.2088 228.5896       164.3123 77.65028 32.71816 94.27208 31.26451 -16.62180      45.25425 
1 1 1 3   4   31 o 283.8512 15.51541 1980.668       209.7527 2490.687       317.6461 1586.331       279.3086 314.7243 21.23512 249.3427 23.71559 65.38158       31.83331 
1 1 1 3   4   32 o 80.27386 28.12743 155.9794       133.3085 -84.58311      223.0739 289.6138       166.2623 68.42559 31.12782 103.4244 31.10561 -34.99881      44.00569 
1 1 1 3   4   33 o 126.1503 30.75706 440.6206       183.7979 583.1616       239.2211 235.2352       287.1537 142.8223 35.25131 100.8117 39.99295 42.01064       53.31126 
1 1 1 3   4   34 o 180.2173 19.47204 828.0346       165.1099 526.6115       258.7574 1035.047       214.4386 131.7861 38.60025 199.4217 22.90717 -67.63560      44.88561 
1 1 1 3   4   35 o 148.0197 26.39747 596.3386       179.9534 215.5410       403.0213 691.1645       201.1151 102.3764 44.42604 158.8159 27.48203 -56.43948      52.23921 
1 1 1 3   4   36 o 79.90791 34.47182 90.36465       239.8022 -100.9556      402.9565 195.2755       298.3925 83.72450 39.36181 92.61800 39.15594 -8.893501      55.52063 
1 1 1 3   4   37 o 175.0175 20.91099 820.0302       171.5123 795.9518       280.0027 834.4896       216.9830 154.0435 38.20678 170.2487 27.60276 -16.20515      47.13460 
1 1 1 3   4   38 o 112.5472 29.01466 388.8477       157.1157 309.1560       265.7318 431.6803       194.8158 95.03587 38.21261 114.2378 33.50213 -19.20195      50.81926 
1 1 1 3   4   39 o 164.7444 27.72220 834.7142       210.6017 1113.135       288.3660 516.4608       308.3042 179.6436 34.83310 106.3943 41.67488 73.24924       54.31520 
1 1 1 3   5   0  o 129.7032 7.533827 404.2137       46.51591 392.5829       73.36921 412.0309       60.14975 127.2779 12.20682 130.7390 9.692148 -3.461082      15.58667 
1 1 1 3   5   1  o 410.7525 15.20751 4067.270       298.1234 4117.928       421.6094 4016.611       421.6110 411.5916 21.50027 406.3953 21.77931 5.196320       30.60392 
1 1 1 3   5   2  o 227.2738 10.39806 1241.407       112.6829 0.000000       0.000000 1241.407       112.6829 ?        ?        227.2738 10.39806 0.000000       10.39806 
1 1 1 3   5   3  o 348.2371 5.727141 2901.837       95.35012 2845.521       165.6535 2929.741       116.6032 344.3267 10.07369 349.8210 6.971981 -5.494385      12.25103 
1 1 1 3   5   4  o 385.6949 14.57444 3585.544       268.2638 3668.024       379.2237 3502.926       379.5410 388.5659 20.48611 379.5421 20.99841 9.023834       29.33622 
1 1 1 3   5   5  o 347.9836 13.51781 2917.212       224.4640 2883.581       317.2729 2950.915       317.6074 344.5794 19.33665 348.6497 19.12758 -4.070313      27.19872 
1 1 1 3   5   6  o 107.4041 8.698250 278.3363       44.28249 273.0878       60.71594 284.3011       64.72601 105.8963 12.21626 107.9843 12.78521 -2.087982      17.68328 
1 1 1 3   5   7  o 237.1763 7.479401 1349.203       84.70386 1323.128       117.1931 1377.725       122.5661 234.4914 10.48010 239.2504 10.74283 -4.758942      15.00803 
1 1 1 3   5   8  o 64.81473 12.06089 104.3387       35.99825 106.4205       43.77820 99.99207       63.25769 65.13588 14.43763 63.77850 19.18770 1.357384       24.01276 
1 1 1 3   5   9  o 407.5323 15.34846 4024.667       298.5096 4058.303       421.5338 3990.833       422.7817 406.4683 21.77132 402.9372 22.03058 3.531036       30.97317 
1 1 1 3   5   10 o 291.0596 9.332457 2036.393       129.6954 1959.027       235.2885 2070.160       155.4428 283.5087 17.44351 293.1268 11.11204 -9.618134      20.68220 
1 1 1 3   5   11 o 279.7556 9.765630 1881.645       130.4130 1977.843       230.0412 1836.086       158.3107 285.2056 16.94736 275.9330 12.02938 9.272614       20.78266 
1 1 1 3   5   12 o 278.4550 12.05943 1867.746       160.1620 1878.649       224.7997 1856.506       228.2462 278.2314 16.98066 276.4888 17.35456 1.742554       24.28011 
1 1 1 3   5   13 o 476.2160 10.49886 5440.337       239.0312 5341.259       548.4419 5463.571       265.5826 467.5428 24.62263 477.0375 11.64498 -9.494659      27.23747 
1 1 1 3   5   14 o 709.2828 11.63307 12068.96       394.4773 12319.97       1169.558 12036.74       419.0319 705.9308 34.76072 708.1686 12.37662 -2.237854      36.89835 
1 1 1 3   5   15 o 585.4891 8.472705 8208.162       237.1643 8504.938       331.2789 7896.140       339.6809 595.5370 11.63527 573.7059 12.38436 21.83112       16.99270 
1 1 1 3   5   16 o 477.8538 9.802360 5470.517       223.9412 5592.411       304.0733 5326.041       331.0443 482.5381 13.19308 470.6212 14.73131 11.91690       19.77546 
1 1 1 3   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   5   18 o 373.3118 15.29122 3356.503       272.3340 3421.519       382.4738 3289.642       387.8595 375.5829 21.38881 368.0584 22.14433 7.524414       30.78722 
1 1 1 3   5   19 o 264.0933 14.00129 1680.659       176.1485 1976.142       246.1119 1370.318       252.2238 285.7021 18.11140 236.7817 22.55279 48.92041       28.92492 
1 1 1 3   5   20 o 483.4049 10.84873 5605.373       250.7253 6075.393       349.5897 5107.527       359.7886 502.3596 14.57118 460.1378 16.38116 42.22177       21.92400 
1 1 1 3   5   21 o 432.2581 16.89966 4515.943       348.5715 4863.848       491.8006 4164.754       494.1166 446.5256 23.11614 412.3181 25.18637 34.20749       34.18639 
1 1 1 3   5   22 o 515.4811 13.05208 6399.126       321.4041 6633.206       373.3148 5728.624       631.8205 524.2432 14.90992 481.5721 27.55757 42.67111       31.33250 
1 1 1 3   5   23 o 167.8574 16.48988 688.3707       130.6263 548.7231       188.5181 817.3412       181.1680 146.6599 27.90570 181.8525 21.23726 -35.19258      35.06778 
1 1 1 3   5   24 f 432.5031 17.04231 4548.765       351.7023 4754.385       498.9920 4345.778       495.7878 438.6368 23.88481 418.7317 24.87790 19.90515       34.48759 
1 1 1 3   5   25 o 304.3051 14.63863 2248.468       212.3452 2805.167       313.3323 1775.620       288.7720 338.0233 19.47116 267.3152 22.81338 70.70816       29.99294 
1 1 1 3   5   26 o 103.4520 28.04919 279.2614       142.1878 301.8739       284.1671 271.7092       164.2246 112.0715 40.85772 102.3400 30.94408 9.731468       51.25319 
1 1 1 3   5   27 f 201.4165 16.52280 996.1874       157.7088 1116.155       221.3168 872.4225       224.7916 211.0875 22.26527 184.7266 26.18628 26.36093       34.37242 
1 1 1 3   5   28 o 114.0323 25.38573 338.9648       134.8377 271.5237       188.4557 409.7007       193.0042 102.4514 33.45876 123.4063 32.33151 -20.95491      46.52757 
1 1 1 3   5   29 o 273.7061 15.68647 1836.171       204.4069 1905.693       288.0413 1765.641       290.1199 275.5996 22.04454 264.5711 23.17010 11.02850       31.98148 
1 1 1 3   5   30 o 67.07222 26.89342 67.62098       131.2318 67.24689       186.6860 67.98640       184.5126 75.69722 31.41277 75.45795 31.26393 0.2392654      44.31924 
1 1 1 3   5   31 o 318.1705 15.83827 2491.382       240.1643 2688.823       349.3250 2314.407       330.7251 325.8492 22.56290 301.8130 23.09578 24.03622       32.28776 
1 1 1 3   5   32 o 236.5092 18.59327 1397.239       208.5490 1599.848       277.8763 1135.930       315.5728 250.0466 23.52085 203.6044 33.58962 46.44218       41.00601 
1 1 1 3   5   33 o 61.86010 27.89425 -51.77011      174.4601 36.42014       218.5014 -206.8667      289.7645 76.03269 32.85308 70.64554 33.26442 5.387154       46.75303 
1 1 1 3   5   34 o 74.66480 28.36555 123.9640       139.7092 -6.309038      228.7239 201.4966       176.4518 73.14377 32.53500 88.46796 32.20444 -15.32419      45.77830 
1 1 1 3   5   35 o 162.5825 24.25741 705.8499       182.7896 1477.841       409.4482 513.6970       204.2756 218.3307 40.72379 132.8310 32.44925 85.49966       52.07092 
1 1 1 3   5   36 o 83.43196 31.62524 181.9193       173.4290 591.8048       408.4967 91.79424       191.5490 124.3193 48.17638 74.77904 31.48006 49.54031       57.54961 
1 1 1 3   5   37 o 186.3325 25.08458 973.9142       217.7909 751.7061       286.2323 1279.456       335.6400 146.4095 39.83896 198.6147 36.69864 -52.20512      54.16579 
1 1 1 3   5   38 o 71.51300 28.87645 123.6302       152.4477 314.7700       254.0769 16.11067       190.5607 95.04754 37.64694 65.05935 29.26085 29.98819       47.68112 
1 1 1 3   5   39 o 59.00475 26.39523 22.00390       152.7897 106.2486       261.0831 -21.87565      188.4250 74.40982 33.78151 60.06396 27.79261 14.34586       43.74494 
1 1 1 3   6   0  o 480.5320 9.197620 5539.617       211.3032 5091.430       535.4720 5622.279       229.9653 455.0335 24.70684 483.9587 9.939068 -28.92520      26.63105 
1 1 1 3   6   1  o 247.7988 8.066605 1473.294       95.43753 1505.499       112.9325 1392.830       178.5106 250.3233 9.453450 239.6865 15.66384 10.63683       18.29545 
1 1 1 3   6   2  o 113.0176 6.915770 307.0617       37.18865 309.6203       63.67944 305.7374       45.81263 112.8569 11.98524 112.6017 8.574521 0.2551880      14.73663 
1 1 1 3   6   3  o 255.4925 9.133527 1567.748       111.3848 1530.700       193.0410 1586.239       136.3766 251.1965 16.15987 256.7049 11.13864 -5.508423      19.62678 
1 1 1 3   6   4  o 140.5748 8.022332 475.2187       53.69200 533.8884       70.30875 393.1339       83.16370 148.8031 9.940009 126.9716 13.92830 21.83146       17.11144 
1 1 1 3   6   5  o 343.0259 8.819616 2824.712       144.5189 2653.425       302.2402 2875.483       164.5489 329.8235 19.25104 345.8960 9.960785 -16.07251      21.67533 
1 1 1 3   6   6  o 373.4997 14.28626 3373.155       254.6336 3336.708       359.9189 3409.677       360.2939 369.2716 20.46692 373.3855 20.25914 -4.113861      28.79805 
1 1 1 3   6   7  o 212.7993 10.27600 1090.881       104.2358 1014.764       146.7120 1168.468       148.1216 204.2908 15.12869 219.5057 14.19050 -15.21492      20.74241 
1 1 1 3   6   8  o 153.2716 9.431724 566.3217       68.77847 525.2814       95.73132 610.1061       98.87999 146.8704 13.79513 158.4995 13.16765 -11.62907      19.07073 
1 1 1 3   6   9  o 334.8234 13.29960 2708.246       212.4701 2682.697       299.6664 2734.073       301.2964 331.4421 18.99082 334.6405 18.90940 -3.198395      26.79956 
1 1 1 3   6   10 o 174.9938 10.12822 737.9016       84.37318 795.7637       119.1412 679.6875       119.5030 181.1387 13.86293 167.0842 15.12373 14.05458       20.51604 
1 1 1 3   6   11 o 162.3144 10.36549 634.9742       80.01655 685.8199       110.0359 577.9131       116.5674 168.2029 13.80472 153.8986 16.07987 14.30423       21.19275 
1 1 1 3   6   12 o 238.1994 9.463890 1362.351       107.5606 1431.942       135.1316 1242.027       177.6873 243.9475 11.61990 226.3619 16.53293 17.58563       20.20792 
1 1 1 3   6   13 o 345.8673 10.05439 2869.735       166.0781 2718.331       310.0643 2930.648       196.6688 334.9707 19.44499 349.2901 11.79408 -14.31937      22.74220 
1 1 1 3   6   14 o 100.9677 12.00038 247.9395       56.79575 223.1026       75.21870 280.8812       86.62663 94.83492 17.22432 106.6296 17.60678 -11.79465      24.63079 
1 1 1 3   6   15 o 655.0330 22.77357 10390.98       712.1010 10699.15       1007.391 10083.21       1006.735 660.5652 31.99391 640.7256 32.97602 19.83960       45.94593 
1 1 1 3   6   16 o 485.8041 25.80434 5745.566       597.1750 0.000000       0.000000 5745.566       597.1750 ?        ?        485.8041 25.80434 0.000000       25.80434 
1 1 1 3   6   17 o 307.1079 13.14337 2268.294       192.5310 1484.501       261.3604 3198.283       284.6936 246.6953 22.40413 364.2070 16.39214 -117.5116      27.76054 
1 1 1 3   6   18 o 174.2254 16.48632 737.1518       135.6896 555.8818       158.6727 1230.470       261.7598 149.8298 22.87508 223.7617 24.88928 -73.93188      33.80452 
1 1 1 3   6   19 o 426.8562 12.49367 4378.509       254.6902 4434.665       301.8093 4239.590       474.6945 429.1493 14.73195 417.1189 23.90388 12.03033       28.07892 
1 1 1 3   6   20 f 355.9068 13.81975 3050.600       234.7031 3139.753       361.1454 2985.415       308.8066 359.3194 21.11600 351.0557 18.46426 8.263702       28.05021 
1 1 1 3   6   21 o 579.3153 20.86534 8160.080       576.9510 8396.051       814.7951 7922.786       817.0734 582.8903 29.33265 565.5475 30.33019 17.34283       42.19389 
1 1 1 3   6   22 o 217.6631 14.64150 1147.997       151.4763 1217.500       209.1501 1071.322       219.6773 222.9656 19.82714 208.3374 22.40693 14.62814       29.91966 
1 1 1 3   6   23 o 602.0743 13.90471 8748.938       400.2400 9891.325       926.3411 8486.726       443.8026 627.7444 30.96148 592.0084 15.69411 35.73602       34.71194 
1 1 1 3   6   24 o 257.2724 14.66989 1606.991       179.6903 1890.098       250.2595 1305.713       258.1658 277.6980 18.96372 228.8078 23.95505 48.89024       30.55269 
1 1 1 3   6   25 o 78.93947 28.24328 138.3800       134.9988 120.0870       259.7283 145.1514       158.0215 92.03154 37.49671 82.60750 30.41073 9.424042       48.27852 
1 1 1 3   6   26 o 135.9521 20.11141 463.8172       126.7796 440.0180       178.8873 487.8338       179.7023 129.2345 29.59193 136.6193 28.43876 -7.384750      41.04200 
1 1 1 3   6   27 o 117.9131 22.96185 356.6572       124.7858 571.6312       179.0852 153.7803       173.9734 148.8474 26.11783 85.10855 31.80026 63.73888       41.15091 
1 1 1 3   6   28 o 242.7003 15.40561 1442.229       177.8322 1565.085       254.7236 1325.415       248.3817 250.1270 21.50971 229.3318 22.96264 20.79526       31.46347 
1 1 1 3   6   29 o 79.80257 30.53761 128.1439       162.6724 351.0165       303.6520 38.43407       192.6494 115.9807 42.24249 73.96657 31.37491 42.01418       52.61951 
1 1 1 3   6   30 o 108.6224 31.22419 320.0204       170.7625 212.1891       319.1541 363.2715       202.1283 102.9587 41.70664 114.8483 34.24025 -11.88960      53.96145 
1 1 1 3   6   31 o 99.47211 32.35303 263.7373       176.2974 696.1826       329.0728 89.65284       208.7884 152.5668 43.17973 80.54819 33.30420 72.01863       54.53127 
1 1 1 3   6   32 o 125.4435 38.24026 453.9655       250.1001 377.1193       360.4227 525.3303       347.3304 117.9924 45.37800 132.0051 45.44995 -14.01270      64.22508 
1 1 1 3   6   33 o 198.8285 27.58417 1059.377       255.1553 1121.515       381.6726 1009.167       343.0913 190.9249 42.86652 183.3416 40.24749 7.583267       58.79965 
1 1 1 3   6   34 o 80.89256 30.88662 152.2704       166.1724 167.1287       371.5639 148.5555       185.7875 98.23907 42.64364 82.18018 32.30310 16.05889       53.49739 
1 1 1 3   6   35 o 181.5992 22.99002 872.0497       195.1345 1061.791       399.0007 812.4013       223.7136 175.7656 46.69495 171.1564 28.32971 4.609222       54.61677 
1 1 1 3   6   36 f 84.45418 31.66029 194.4384       172.7387 -216.6656      402.7357 287.1177       191.2210 77.88670 37.38172 97.27058 33.71249 -19.38388      50.33810 
1 1 1 3   6   37 o 83.75965 32.93546 200.0644       193.1911 107.2645       246.2909 348.4830       311.4718 78.25800 34.32863 99.53419 40.86668 -21.27619      53.37172 
1 1 1 3   6   38 o 85.18610 33.48051 228.4861       199.5563 290.7562       254.9997 130.0910       320.5432 91.67471 37.22710 81.82835 37.25942 9.846367       52.66993 
1 1 1 3   6   39 o 70.26764 29.16154 132.5370       160.9016 -282.8680      265.5954 373.3919       202.2379 56.42271 27.78948 98.86594 34.64418 -42.44322      44.41255 
1 1 1 3   7   0  o 406.3021 15.19274 3998.147       294.5967 4172.530       416.5553 3823.652       416.6902 412.5727 21.18952 394.4309 22.18647 18.14175       30.67955 
1 1 1 3   7   1  o 400.4297 14.92610 3882.481       285.2465 4210.407       403.4548 3554.735       403.3441 414.7496 20.40969 380.1447 22.29094 34.60489       30.22320 
1 1 1 3   7   2  o 401.2440 8.213308 3862.057       157.5560 3756.844       397.6353 3881.652       171.6016 391.2833 21.33693 402.1332 8.925714 -10.84988      23.12861 
1 1 1 3   7   3  o 168.1332 7.823132 679.3700       62.71194 0.000000       0.000000 679.3700       62.71194 ?        ?        168.1332 7.823132 0.000000       7.823132 
1 1 1 3   7   4  o 130.8423 6.607291 411.2096       41.19760 477.9400       78.13224 385.5125       48.48537 140.4135 11.74647 126.5246 8.057305 13.88893       14.24429 
1 1 1 3   7   5  o 156.5686 7.888054 589.3521       58.85478 557.8444       80.79413 624.9741       85.90746 151.8645 11.20690 160.7820 11.24689 -8.917511      15.87726 
1 1 1 3   7   6  o 204.7837 8.425229 1007.775       82.31083 1067.248       102.9029 902.1271       137.1506 210.4876 10.25658 192.5976 15.01346 17.88992       18.18244 
1 1 1 3   7   7  o 330.3146 13.19063 2634.560       207.8870 2755.855       293.6778 2512.736       294.3164 336.2935 18.33540 320.7477 19.28202 15.54575       26.60795 
1 1 1 3   7   8  o 220.4130 10.58306 1169.851       111.1952 1159.582       156.2902 1180.376       158.2354 218.6304 15.04417 220.5798 15.09577 -1.949387      21.31219 
1 1 1 3   7   9  o 535.0840 19.15109 6953.706       489.1283 7155.445       691.0740 6751.196       692.3917 538.7003 26.91826 522.6913 27.80762 16.00897       38.70215 
1 1 1 3   7   10 o 213.0136 9.164157 1089.807       93.10887 1047.920       116.5160 1163.813       154.8749 208.5533 11.73317 219.3211 14.85811 -10.76788      18.93226 
1 1 1 3   7   11 o 298.0418 12.52649 2136.926       178.0925 2162.544       249.5799 2110.349       254.2054 298.9245 17.54093 295.1649 18.10111 3.759521       25.20584 
1 1 1 3   7   12 o 365.4471 14.34152 3214.155       250.0829 3344.479       351.6395 3080.777       355.7373 371.6576 19.86216 356.3988 20.97048 15.25882       28.88367 
1 1 1 3   7   13 o 170.4263 10.58256 698.7903       85.80011 766.0950       118.7958 625.3951       124.0544 178.0603 14.06911 160.4220 16.40559 17.63824       21.61211 
1 1 1 3   7   14 o 584.6703 20.36690 8258.938       568.4347 9235.586       804.8942 7287.157       802.8857 615.7100 27.41223 545.3600 30.92039 70.34998       41.32192 
1 1 1 3   7   15 o 460.9359 11.64633 5098.251       256.4425 5055.371       291.1122 5246.795       541.8278 458.7278 13.28786 464.6081 24.47943 -5.880280      27.85336 
1 1 1 3   7   16 o 171.9568 14.60427 715.5842       118.9279 533.2427       158.6963 949.1755       179.6191 146.6189 23.42778 197.4516 19.27263 -50.83275      30.33636 
1 1 1 3   7   17 o 199.4201 13.77097 959.7958       130.4868 619.2706       171.1626 1432.342       201.6305 158.2217 23.32636 243.2140 17.45651 -84.99229      29.13501 
1 1 1 3   7   18 o 444.6183 13.12029 4752.324       278.5890 4081.723       469.2623 5117.319       346.2000 409.2465 24.09060 460.8286 15.73682 -51.58218      28.77506 
1 1 1 3   7   19 o 192.9502 14.32880 900.3544       131.2358 960.6883       173.2479 819.1222       201.0255 198.6148 18.45636 182.1254 23.64486 16.48940       29.99527 
1 1 1 3   7   20 o 520.4810 18.86404 6564.002       468.6290 6055.443       658.3848 7086.248       667.1857 495.9382 27.88021 537.5861 26.03657 -41.64789      38.14721 
1 1 1 3   7   21 o 311.1064 13.53024 2335.277       200.7627 2411.083       266.0821 2235.080       305.9083 315.0884 17.73501 302.2756 21.30446 12.81284       27.72022 
1 1 1 3   7   22 o 292.1791 14.54706 2066.076       202.5652 2083.084       275.1958 2045.965       299.2549 291.8541 19.84072 288.5403 21.85588 3.313751       29.51836 
1 1 1 3   7   23 o 364.2831 15.48256 3219.249       269.0287 3346.130       376.8395 3087.365       384.1950 368.9515 21.45639 353.7020 22.84201 15.24951       31.33902 
1 1 1 3   7   24 f 359.5334 15.56061 3142.786       266.8362 3248.965       372.8900 3031.355       382.0016 362.7779 21.59741 349.6469 22.97953 13.13107       31.53580 
1 1 1 3   7   25 f 184.7522 18.24416 842.7535       159.0456 709.6792       187.5664 1183.266       300.0368 167.3692 24.13746 213.9798 30.16468 -46.61057      38.63321 
1 1 1 3   7   26 o 107.9291 27.42406 305.3787       141.7726 340.7463       161.5014 186.5688       296.0057 113.5642 29.48821 101.1518 40.44718 12.41245       50.05526 
1 1 1 3   7   27 o 64.41112 27.00923 29.81217       140.1435 -13.22195      269.1178 45.82452       164.1586 81.48771 35.81035 70.52139 29.37656 10.96632       46.31807 
1 1 1 3   7   28 o 276.1964 15.10440 1866.027       198.6889 2341.222       280.5281 1387.699       281.4513 307.3829 19.18488 232.9869 25.69375 74.39601       32.06601 
1 1 1 3   7   29 o 119.8365 23.85628 373.6177       131.8718 512.6814       187.3370 237.0268       185.6639 138.5225 29.20885 96.49457 33.22940 42.02797       44.24195 
1 1 1 3   7   30 o 234.9346 16.10114 1362.399       179.7539 1505.835       254.3894 1219.366       254.0319 243.7674 22.06683 217.5215 24.87415 26.24582       33.25159 
1 1 1 3   7   31 o 90.72732 29.15410 215.5652       143.4259 393.4403       194.3364 2.774700       212.5556 119.0407 33.00117 73.15898 31.99660 45.88168       45.96585 
1 1 1 3   7   32 o 72.88438 28.73225 98.00794       147.3578 -133.1751      206.3877 338.4108       210.4629 62.05344 28.84190 109.8780 35.31696 -47.82454      45.59761 
1 1 1 3   7   33 o 135.3209 36.21463 542.5670       238.9006 659.4775       358.9059 449.5575       320.1233 141.2264 46.17706 120.5753 43.44869 20.65112       63.40433 
1 1 1 3   7   34 o 68.29774 31.41831 -84.16476      235.7898 -225.9143      361.4771 20.81640       311.0826 76.63583 36.40076 83.59534 37.50887 -6.959518      52.26787 
1 1 1 3   7   35 o 126.5559 29.69337 460.1722       176.5449 554.7220       384.5528 434.9227       198.7248 124.4678 47.11243 120.3812 33.37127 4.086594       57.73407 
1 1 1 3   7   36 o 42.41763 21.11972 -364.1160      169.6272 394.2247       381.0143 -551.5758      189.4362 105.8477 44.46905 40.35534 20.38996 65.49234       48.92082 
1 1 1 3   7   37 o 71.98301 30.21415 106.9725       175.6430 192.9081       397.4003 86.10983       195.8061 90.08578 41.19761 71.81738 31.06598 18.26840       51.59785 
1 1 1 3   7   38 o 67.37177 28.27654 97.13750       153.8201 372.3705       246.7607 -77.77906      196.7167 98.44785 37.62629 58.44705 27.48555 40.00080       46.59606 
1 1 1 3   7   39 o 46.66444 23.16257 -312.1610      197.8390 -462.8139      249.6009 -57.56189      324.4784 48.93200 24.54905 68.38446 33.00616 -19.45247      41.13469 
1 1 1 3   8   0  o 153.9586 7.917961 569.5162       58.08507 567.0641       92.53973 571.1103       74.61402 153.0033 12.76709 153.9171 10.19720 -0.9137726     16.33957 
1 1 1 3   8   1  o 284.4674 8.381362 1941.716       113.8627 1882.878       223.4922 1962.342       132.3235 278.5174 16.86325 285.7934 9.698531 -7.276001      19.45329 
1 1 1 3   8   2  o 183.0761 7.738775 804.6606       67.58208 761.6757       116.1945 826.6364       83.08037 177.2614 13.81995 185.3759 9.404987 -8.114502      16.71660 
1 1 1 3   8   3  o 343.7965 7.162932 2831.583       117.7337 0.000000       0.000000 2831.583       117.7337 ?        ?        343.7965 7.162932 0.000000       7.162932 
1 1 1 3   8   4  o 173.5518 7.232063 722.8354       59.87521 0.000000       0.000000 722.8354       59.87521 ?        ?        173.5518 7.232063 0.000000       7.232063 
1 1 1 3   8   5  o 82.33245 6.890506 163.4785       26.87402 205.7267       47.82959 143.9877       32.48693 91.88290 11.11371 76.96710 8.998289 14.91579       14.29978 
1 1 1 3   8   6  o 184.6051 8.876909 818.9326       78.11585 831.2278       122.0421 810.3992       101.6718 185.2955 13.87723 183.2891 11.66310 2.006378       18.12748 
1 1 1 3   8   7  o 540.3778 10.05434 7004.863       259.7524 7011.121       280.2429 6966.707       692.0261 540.4641 10.84575 532.3523 27.28134 8.111755       29.35817 
1 1 1 3   8   8  o 813.4878 8.545928 15855.41       332.3676 16041.71       468.1058 15666.00       471.9957 817.3494 11.97920 807.6463 12.22386 9.703064       17.11503 
1 1 1 3   8   9  o 340.2180 9.430765 2775.951       153.2475 2562.270       295.4221 2854.620       179.2512 325.1871 19.08601 344.8231 10.88684 -19.63599      21.97268 
1 1 1 3   8   10 o 716.4207 11.19134 12308.33       383.3174 12116.86       1166.030 12331.53       405.8754 700.3566 34.93456 716.9592 11.84104 -16.60260      36.88677 
1 1 1 3   8   11 o 263.2580 11.57194 1665.127       145.2893 1589.321       203.5658 1743.838       207.4289 256.4721 16.69254 268.7769 16.21788 -12.30484      23.27361 
1 1 1 3   8   12 o 93.22337 13.86124 213.1524       59.90120 200.7596       83.75699 226.1277       85.70268 89.49198 20.07202 95.14471 19.49673 -5.652725      27.98229 
1 1 1 3   8   13 o 866.4867 12.46248 18011.79       516.2675 17812.48       1688.285 18032.36       542.2421 845.3407 41.90457 866.8226 13.08442 -21.48193      43.89983 
1 1 1 3   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   8   15 o 476.8650 17.26273 5483.221       392.9128 5007.481       550.5443 5977.072       560.9262 453.3487 25.50388 496.0323 23.72181 -42.68362      34.83063 
1 1 1 3   8   16 o 113.7594 17.82127 319.2242       93.74445 156.3647       119.4577 580.2933       151.2465 81.54987 26.63904 153.5171 21.17027 -71.96719      34.02674 
1 1 1 3   8   17 o 240.1695 13.87317 1390.811       158.6170 1102.250       216.0941 1727.899       233.5591 212.3027 21.59020 266.9761 18.41127 -54.67348      28.37449 
1 1 1 3   8   18 o 462.2229 12.28236 5134.179       271.1794 5194.891       312.8960 4950.942       543.5859 464.5616 14.10430 450.0430 25.36690 14.51865       29.02432 
1 1 1 3   8   19 o 171.8317 18.23419 721.5591       147.5114 711.2471       173.2946 748.6870       281.0744 169.7829 21.85566 170.4123 35.64696 -0.6294098     41.81358 
1 1 1 3   8   20 o 120.3170 25.29080 367.4492       140.8516 137.7467       234.5946 496.9291       176.1313 92.37676 36.30269 139.8799 27.31775 -47.50312      45.43286 
1 1 1 3   8   21 o 222.2886 15.98623 1201.029       168.7569 1238.212       253.8521 1171.584       225.9022 223.4138 24.14973 217.9388 21.98094 5.475021       32.65533 
1 1 1 3   8   22 o 452.5462 17.60655 4982.887       380.2035 5455.642       534.9634 4500.373       540.4565 470.1490 23.87837 425.2031 26.72130 44.94598       35.83580 
1 1 1 3   8   23 o 235.4217 15.59696 1350.090       174.5578 1299.240       216.2144 1445.274       295.8151 229.5862 19.89454 239.6660 26.24569 -10.07979      32.93370 
1 1 1 3   8   24 o 256.6775 14.98610 1604.503       183.1013 1861.818       262.0943 1359.196       255.9053 274.5994 20.10340 233.1049 23.27327 41.49445       30.75373 
1 1 1 3   8   25 o 147.8145 18.22753 542.7814       126.0857 652.3695       169.8921 408.4128       188.1223 160.6939 22.74924 123.8090 31.66094 36.88489       38.98645 
1 1 1 3   8   26 o 177.3267 24.28535 799.4575       200.4828 833.4890       263.4927 752.6697       308.9538 177.3303 32.26810 164.4518 39.74184 12.87856       51.19223 
1 1 1 3   8   27 o 134.4477 24.54701 466.8699       151.9709 643.0220       173.5964 -110.9639      314.4115 158.7194 23.59373 81.17312 36.93784 77.54624       43.83000 
1 1 1 3   8   28 o 367.2259 16.27876 3311.627       285.0901 3679.067       398.8962 2927.975       407.6015 383.0675 21.87182 338.9120 25.33936 44.15555       33.47327 
1 1 1 3   8   29 o 45.71995 22.06333 -207.2814      144.8434 -532.8318      276.5135 -84.17569      170.0381 56.89859 28.08654 59.15037 27.01157 -2.251781      38.96766 
1 1 1 3   8   30 o 78.82020 27.81947 148.9514       130.5733 52.95673       179.2413 257.4964       190.5985 72.69635 30.51836 98.90205 33.67938 -26.20570      45.44966 
1 1 1 3   8   31 o 177.8163 18.71087 794.7057       156.6837 1135.340       221.8513 455.7065       221.3181 210.7993 22.35356 126.7108 35.25172 84.08855       41.74165 
1 1 1 3   8   32 o 86.87576 28.96866 198.2354       141.0239 -18.45628      197.0825 425.6048       201.8798 68.20531 30.27744 122.0549 33.55779 -53.84962      45.19789 
1 1 1 3   8   33 o 126.5759 24.38212 429.7414       142.1955 -11.01500      196.5054 914.2206       206.0216 67.99467 30.20574 186.3450 23.65778 -118.3503      38.36765 
1 1 1 3   8   34 o 81.04363 28.61964 171.6104       138.2072 94.82012       194.2381 250.3549       196.6941 76.49775 31.91733 94.65697 34.06419 -18.15923      46.68066 
1 1 1 3   8   35 o 71.48354 29.71193 86.74233       167.3975 35.92586       194.1806 233.7840       330.3115 69.91237 30.57937 96.30012 40.97444 -26.38775      51.12731 
1 1 1 3   8   36 o 54.78263 25.72812 -102.9925      171.3679 -249.2537      200.7089 290.4495       329.1868 51.98362 25.29324 95.91695 40.86115 -43.93333      48.05603 
1 1 1 3   8   37 o 64.78760 28.61039 39.00176       173.7461 573.2748       367.3794 -114.9254      197.1927 112.7609 45.07016 57.23087 27.09626 55.53006       52.58827 
1 1 1 3   8   38 o 51.76538 24.85340 -139.0259      178.3705 -329.6087      373.4520 -82.69926      203.0252 65.01768 32.19347 58.13021 27.51376 6.887474       42.34886 
1 1 1 3   9   0  o 309.3017 8.582011 2292.912       126.7826 2302.098       145.5042 2263.944       258.3754 309.7935 9.836610 306.0247 17.73581 3.768829       20.28097 
1 1 1 3   9   1  o 207.0716 6.838682 1027.369       67.60911 895.2034       133.9430 1072.555       78.31840 192.4239 14.67029 211.5124 7.758114 -19.08849      16.59536 
1 1 1 3   9   2  o 258.6704 7.353469 1603.076       90.84612 1578.939       193.7415 1609.879       102.8544 255.6467 15.93081 259.1379 8.312774 -3.491257      17.96922 
1 1 1 3   9   3  o 750.9704 9.959016 13517.39       357.5589 0.000000       0.000000 13517.39       357.5589 ?        ?        750.9704 9.959016 0.000000       9.959016 
1 1 1 3   9   4  o 253.4514 11.34163 1543.931       137.0809 0.000000       0.000000 1543.931       137.0809 ?        ?        253.4514 11.34163 0.000000       11.34163 
1 1 1 3   9   5  o 205.2465 6.556345 1009.164       64.25227 926.7456       105.7213 1057.436       80.90926 196.2450 11.31622 209.9892 8.074262 -13.74422      13.90146 
1 1 1 3   9   6  o 188.1784 8.109075 849.4577       72.78281 863.3997       99.24859 833.2363       107.0550 189.4426 11.00556 185.9660 12.10689 3.476593       16.36152 
1 1 1 3   9   7  o 262.8801 7.770839 1655.790       97.55668 1748.034       134.8196 1554.402       141.3435 269.8592 10.46965 254.3194 11.65586 15.53973       15.66756 
1 1 1 3   9   8  o 225.7307 8.161399 1221.519       87.93226 1286.116       120.8168 1148.759       128.2234 231.3721 10.95325 218.4860 12.32537 12.88606       16.48904 
1 1 1 3   9   9  o 627.2119 10.64700 9428.059       319.2639 8985.572       891.1413 9493.216       341.9633 605.8559 30.86757 629.2626 11.36683 -23.40674      32.89395 
1 1 1 3   9   10 o 527.6288 7.988304 6664.395       201.5076 6799.578       280.1353 6519.449       290.0741 532.6098 11.00146 521.4390 11.63582 11.17084       16.01326 
1 1 1 3   9   11 o 586.0567 20.44271 8298.614       571.9012 7709.513       807.3644 8891.896       810.2241 561.3109 30.19670 603.8264 28.14369 -42.51544      41.27842 
1 1 1 3   9   12 o 317.2892 13.42338 2420.993       203.1623 2317.288       285.4795 2527.408       289.1862 309.3922 19.39760 323.2874 18.79128 -13.89520      27.00702 
1 1 1 3   9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   9   14 o 375.4789 10.28993 3381.745       184.5426 3166.751       256.2130 3613.529       266.0291 362.6644 14.80820 387.5190 14.38408 -24.85458      20.64424 
1 1 1 3   9   15 o 243.0808 13.54893 1423.764       156.8347 1089.627       203.4985 1912.556       246.1281 211.3781 20.38966 280.9942 18.42288 -69.61615      27.47982 
1 1 1 3   9   16 o 370.3288 15.07307 3305.037       266.3110 3098.141       372.6208 3521.062       380.7520 356.9057 21.94371 380.8383 20.99310 -23.93253      30.36835 
1 1 1 3   9   17 o 164.5824 17.96326 661.5232       139.0520 576.1768       165.4100 867.1569       256.7534 152.2726 23.47465 185.7423 29.93022 -33.46976      38.03784 
1 1 1 3   9   18 o 457.8367 13.48995 5047.034       294.9548 5033.516       527.6824 5053.177       355.7131 453.5320 24.42653 457.3623 16.29392 -3.830322      29.36234 
1 1 1 3   9   19 o 197.8316 16.31438 951.8572       152.9329 1138.136       221.7219 782.8069       211.2197 215.0812 21.86609 176.9111 25.72634 38.17012       33.76345 
1 1 1 3   9   20 o 141.2695 21.67373 497.8825       141.7170 448.8050       215.2158 535.4542       188.3054 131.1251 34.03685 144.7590 28.22309 -13.63391      44.21595 
1 1 1 3   9   21 o 238.9941 16.96605 1392.698       192.5943 1348.247       247.5740 1460.829       306.5052 233.4182 22.46214 241.2774 27.03571 -7.859146      35.14936 
1 1 1 3   9   22 o 61.64989 24.52021 53.14442       108.2099 -33.45924      139.2567 185.1332       171.9161 57.98275 25.60920 89.99866 31.90669 -32.01591      40.91293 
1 1 1 3   9   23 o 356.6532 15.15518 3093.641       257.8246 3518.639       385.5250 2749.770       346.7826 377.2202 21.46572 333.1060 21.89684 44.11414       30.66348 
1 1 1 3   9   24 o 233.4142 16.19686 1333.925       179.6240 1862.818       275.1752 941.2438       237.1078 273.8546 21.18204 191.9113 26.55330 81.94324       33.96698 
1 1 1 3   9   25 o 361.2040 15.83441 3186.778       272.7760 3529.290       380.6466 2825.210       391.0924 377.0150 21.20355 335.0379 24.58738 41.97711       32.46736 
1 1 1 3   9   26 o 206.2652 16.41512 1046.734       160.5401 1095.038       218.1915 989.7178       237.0558 208.6075 22.21912 196.5026 25.86038 12.10489       34.09470 
1 1 1 3   9   27 o 328.2103 15.78455 2640.291       246.9550 2812.756       345.3558 2459.828       353.2731 335.1800 21.66774 311.8588 23.87587 23.32114       32.24203 
1 1 1 3   9   28 o 328.2359 15.25353 2642.591       238.7128 3045.973       329.3682 2196.252       346.4619 349.4650 19.79471 292.9589 24.97453 56.50607       31.86781 
1 1 1 3   9   29 o 131.6038 22.92154 448.6773       138.9805 347.3383       182.0957 590.0760       215.0971 112.3639 32.22615 146.9186 31.56449 -34.55469      45.10922 
1 1 1 3   9   30 f 75.59031 27.62431 129.7573       130.0146 123.0664       171.3118 138.8462       199.6643 79.39655 31.07561 84.42105 33.39364 -5.024498      45.61610 
1 1 1 3   9   31 o 250.5076 18.01769 1569.643       214.3472 1845.066       336.8636 1382.263       277.8535 264.7127 26.99513 229.8254 25.72876 34.88728       37.29217 
1 1 1 3   9   32 o 90.72870 28.96073 224.3536       141.7048 246.6706       195.6535 199.7311       205.5116 95.44344 34.01755 90.06656 34.35854 5.376877       48.34980 
1 1 1 3   9   33 f 92.47122 27.55464 237.5516       130.9274 173.9252       186.4528 299.4424       183.8922 84.74355 32.62580 101.7273 33.03933 -16.98370      46.43318 
1 1 1 3   9   34 o 254.5235 16.08287 1630.654       194.7034 1540.451       275.3585 1720.849       275.3459 239.7898 24.35685 255.1850 22.80939 -15.39517      33.36951 
1 1 1 3   9   35 o 115.8238 26.89934 387.0129       146.0923 304.2382       203.6326 474.8047       209.7129 98.38837 34.73989 121.9752 34.45286 -23.58685      48.92708 
1 1 1 3   9   36 o 56.88436 25.39645 -1.374592      140.7057 -18.07652      195.4171 16.60644       202.7621 63.44676 28.96735 66.83175 30.10968 -3.384987      41.78157 
1 1 1 3   9   37 o 52.74011 24.36945 -47.85002      144.1210 -244.1988      201.9812 155.8069       205.7057 51.14059 24.99036 77.05029 32.53939 -25.90970      41.02840 
1 1 1 3   9   38 f 94.28657 37.49426 383.4917       252.9728 504.0277       356.2903 260.9496       359.2430 97.37719 42.01326 83.43188 38.52399 13.94531       57.00185 
1 1 1 3   10  0  o 535.3840 7.437302 6859.875       190.3659 6609.688       268.3708 7113.248       270.0734 525.2040 10.68806 544.8820 10.36743 -19.67792      14.89020 
1 1 1 3   10  1  o 339.1303 5.882016 2751.262       95.36768 2784.155       161.8111 2733.756       118.0500 340.7743 9.942547 337.9821 7.305737 2.792206       12.33807 
1 1 1 3   10  2  o 240.2267 7.364198 1382.398       84.47765 0.000000       0.000000 1382.398       84.47765 ?        ?        240.2267 7.364198 0.000000       7.364198 
1 1 1 3   10  3  o 449.1946 7.437990 4829.112       159.7344 0.000000       0.000000 4829.112       159.7344 ?        ?        449.1946 7.437990 0.000000       7.437990 
1 1 1 3   10  4  o 394.6670 7.284325 3727.702       137.4449 0.000000       0.000000 3727.702       137.4449 ?        ?        394.6670 7.284325 0.000000       7.284325 
1 1 1 3   10  5  o 664.9949 9.720483 10592.80       309.0399 0.000000       0.000000 10592.80       309.0399 ?        ?        664.9949 9.720483 0.000000       9.720483 
1 1 1 3   10  6  o 318.8068 8.055479 2434.604       122.6816 2226.585       259.9706 2494.201       139.1501 303.5979 17.99156 322.6031 9.030966 -19.00522      20.13094 
1 1 1 3   10  7  o 473.4351 9.788688 5369.387       221.5610 4889.039       518.0280 5476.929       245.1112 448.6903 24.23894 478.0508 10.72459 -29.36044      26.50553 
1 1 1 3   10  8  o 779.1183 11.36087 14552.91       423.1782 14622.44       445.2022 13901.81       1362.314 780.8619 11.92545 749.5063 38.14381 31.35559       39.96457 
1 1 1 3   10  9  o 395.6399 15.16800 3767.112       286.3726 3858.408       404.7624 3675.607       405.2220 399.1232 21.28918 389.3892 21.85482 9.733948       30.51003 
1 1 1 3   10  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   10  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   10  12 o 181.8353 12.54566 797.2562       108.3951 538.3801       148.9055 1089.069       158.0945 147.6743 21.74098 212.2162 15.69328 -64.54193      26.81323 
1 1 1 3   10  13 o 268.2693 12.56277 1731.315       160.6782 1472.284       212.9527 2073.716       244.8353 246.4378 18.20303 292.8213 17.56973 -46.38348      25.29913 
1 1 1 3   10  14 o 192.9733 15.52904 901.8712       142.0596 710.0908       193.6828 1125.174       208.9951 169.2345 24.66320 214.7262 20.61116 -45.49179      32.14177 
1 1 1 3   10  15 o 527.9889 12.06986 6693.108       304.6740 6509.960       665.1335 6741.741       342.7467 515.5330 27.08131 529.4323 13.55226 -13.89929      30.28302 
1 1 1 3   10  16 o 444.9814 10.32717 4749.961       219.7007 4833.185       297.2722 4649.791       326.1375 448.0144 13.89566 439.0167 15.56320 8.997711       20.86391 
1 1 1 3   10  17 o 337.1328 13.78896 2740.748       221.7806 2863.216       332.0753 2642.139       297.9781 342.8661 20.34987 329.7188 18.98331 13.14731       27.82954 
1 1 1 3   10  18 o 81.94177 26.59179 161.1017       119.1367 200.6099       135.2370 24.18025       251.7604 90.23851 28.22700 84.03888 35.76530 6.199631       45.56227 
1 1 1 3   10  19 o 323.0440 13.75344 2521.696       211.9270 2500.031       278.4058 2551.546       326.7967 320.3465 18.25371 322.5528 21.31125 -2.206299      28.06006 
1 1 1 3   10  20 o 625.5176 12.25813 9429.181       366.5828 9655.394       401.9557 8310.967       893.6796 632.5283 13.29199 572.4457 32.79140 60.08252       35.38294 
1 1 1 3   10  21 o 222.6988 17.54587 1214.933       185.3024 1471.340       231.3265 755.7806       309.5559 244.3667 19.97458 167.0762 39.39886 77.29050       44.17300 
1 1 1 3   10  22 o 409.0181 16.77336 4082.981       327.3019 4377.439       453.9791 3764.257       472.3148 419.9985 22.69320 387.4184 25.64449 32.58014       34.24355 
1 1 1 3   10  23 o 249.5429 16.33915 1524.480       193.8597 1794.745       240.5764 1024.023       327.3720 269.8620 18.76361 195.1334 36.43097 74.72859       40.97912 
1 1 1 3   10  24 o 355.1586 15.78004 3080.768       267.2718 3320.955       368.6611 2814.663       388.0419 365.7005 21.17654 334.5100 24.43242 31.19052       32.33247 
1 1 1 3   10  25 o 163.8828 21.10769 676.0938       161.5435 355.3317       260.3506 876.8969       205.9929 115.7560 39.36353 185.8127 23.72901 -70.05663      45.96252 
1 1 1 3   10  26 o 175.2908 20.30338 771.2753       167.0087 898.5954       196.7453 442.9711       315.9324 188.5026 22.26015 126.3554 43.35271 62.14716       48.73368 
1 1 1 3   10  27 o 299.4303 15.72656 2202.873       224.3430 2479.124       321.7238 1941.411       312.9940 314.0426 21.55902 276.1657 23.94229 37.87692       32.21839 
1 1 1 3   10  28 o 57.65926 25.04357 -3.850715      128.3063 -85.64960      175.8911 89.17860       187.5772 60.06139 27.44468 77.74530 31.79370 -17.68391      42.00060 
1 1 1 3   10  29 o 217.2634 19.30331 1185.029       198.4206 1676.594       320.8035 880.4651       252.5155 253.3621 26.89468 180.8528 30.27391 72.50928       40.49485 
1 1 1 3   10  30 o 68.57777 27.64367 73.47234       139.4449 295.3096       186.1552 -210.1517      210.4890 103.6698 33.20440 58.41463 27.75489 45.25520       43.27662 
1 1 1 3   10  31 o 194.8602 19.15014 964.4186       176.1014 837.5414       241.9448 1107.365       256.8094 174.2828 30.12657 203.2806 27.09890 -28.99779      40.52111 
1 1 1 3   10  32 o 149.0200 33.73271 648.2629       234.7105 502.5020       322.5624 812.2792       342.1660 124.1688 43.73353 157.2633 43.86173 -33.09456      61.93927 
1 1 1 3   10  33 o 212.6709 19.76869 1166.649       198.6978 1323.600       250.1796 898.5038       327.0048 223.0549 23.82887 166.8882 41.22865 56.16676       47.61950 
1 1 1 3   10  34 o 98.30634 31.84398 290.0339       170.8915 462.0474       204.0502 -114.0234      312.7354 122.0534 33.80807 73.87810 34.71502 48.17529       48.45739 
1 1 1 3   10  35 o 135.7271 29.11770 553.1712       183.2812 618.6906       222.4654 414.7384       323.3683 138.5876 33.86784 104.8364 42.15342 33.75124       54.07348 
1 1 1 3   10  36 o 61.04473 26.46449 43.19125       142.7307 129.0751       210.1127 -30.39891      194.4941 75.73669 32.46401 61.82372 28.47444 13.91298       43.18224 
1 1 1 3   10  37 o 63.04197 27.28240 69.01263       151.1526 426.8358       215.7023 -276.2192      211.8732 104.9172 35.82666 50.42968 24.83441 54.48754       43.59240 
1 1 1 3   11  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11  2  o 546.5084 27.66574 7280.527       720.4974 0.000000       0.000000 7280.527       720.4974 ?        ?        546.5084 27.66574 0.000000       27.66574 
1 1 1 3   11  3  o 322.9827 12.71161 2506.639       195.9022 0.000000       0.000000 2506.639       195.9022 ?        ?        322.9827 12.71161 0.000000       12.71161 
1 1 1 3   11  4  o 309.3849 12.69298 2300.373       187.3474 0.000000       0.000000 2300.373       187.3474 ?        ?        309.3849 12.69298 0.000000       12.69298 
1 1 1 3   11  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11  8  o 223.3195 11.19290 1198.785       119.1218 941.5206       156.4432 1553.746       183.7625 197.0874 16.76199 253.7806 15.21560 -56.69321      22.63799 
1 1 1 3   11  9  o 464.6625 10.68506 5176.084       237.3685 4914.377       261.5992 6395.704       564.7292 452.4195 12.10535 513.3271 23.07007 -60.90768      26.05317 
1 1 1 3   11  10 o 312.3874 10.16734 2341.486       151.6458 2514.719       209.2954 2150.034       220.0259 323.2865 13.57159 298.5810 15.46628 24.70554       20.57654 
1 1 1 3   11  11 o 338.2496 14.02036 2754.250       226.2363 2827.032       317.9013 2679.565       322.0315 341.5809 19.54824 332.3317 20.36615 9.249207       28.22966 
1 1 1 3   11  12 o 312.8800 13.23290 2355.954       197.4965 2229.215       272.8651 2495.400       286.2175 303.2583 18.91448 320.9585 18.73402 -17.70016      26.62182 
1 1 1 3   11  13 o 414.0204 9.318693 4108.358       184.4527 3859.054       241.8101 4455.283       285.2505 400.6224 12.64080 430.2354 13.88612 -29.61304      18.77803 
1 1 1 3   11  14 o 347.5160 12.08009 2904.267       200.3976 2862.056       247.4382 2984.736       341.6355 344.4058 15.06398 350.3584 20.48523 -5.952576      25.42771 
1 1 1 3   11  15 o 167.5479 13.75080 680.1640       109.1793 692.2565       150.9835 666.9105       158.0656 168.0053 19.13826 164.5448 20.53902 3.460480       28.07355 
1 1 1 3   11  16 o 309.9368 12.30370 2314.221       181.9505 2614.330       239.3690 1903.525       280.0203 328.7791 15.27015 278.8613 21.16154 49.91779       26.09576 
1 1 1 3   11  17 o 227.7784 13.49416 1254.864       146.2905 1285.763       197.8286 1217.578       217.3134 229.5015 18.17836 222.6205 20.65349 6.880981       27.51399 
1 1 1 3   11  18 o 61.45796 24.55251 49.67250       108.9716 38.33337       121.4485 96.50818       246.8260 62.44564 25.56517 89.21605 36.47616 -26.77040      44.54310 
1 1 1 3   11  19 o 285.4510 13.77731 1973.364       187.4649 2194.387       253.7384 1707.720       278.1743 299.7826 17.78391 262.6812 22.36272 37.10147       28.57199 
1 1 1 3   11  20 o 201.0225 16.85037 990.0179       160.4543 903.5721       241.7952 1058.039       214.4849 188.1474 27.70963 206.1135 22.11142 -17.96609      35.45051 
1 1 1 3   11  21 o 169.2812 24.25325 725.9213       190.6843 725.6123       244.7326 726.3987       304.2028 166.0104 31.99538 162.6503 39.51550 3.360107       50.84466 
1 1 1 3   11  22 o 108.6331 28.43694 310.1892       149.3898 536.1556       246.8530 179.6072       187.6542 140.2494 36.47667 90.01314 33.13920 50.23628       49.28239 
1 1 1 3   11  23 o 108.0873 25.02771 304.0597       126.7804 319.6983       164.4838 281.1705       198.9945 109.8199 30.32863 104.3893 34.39767 5.430618       45.85875 
1 1 1 3   11  24 o 271.8882 14.84067 1805.896       192.1775 1933.204       256.2257 1642.184       290.5610 279.2943 19.30784 254.7697 24.14318 24.52451       30.91417 
1 1 1 3   11  25 f 175.0907 19.30177 766.2353       158.8951 759.7989       180.9707 787.8947       331.9783 173.0747 22.39541 165.5910 41.90542 7.483658       47.51441 
1 1 1 3   11  26 o 203.8031 18.41605 1034.728       177.5043 631.7603       264.9985 1362.667       239.0589 149.6523 37.19892 232.3165 21.77756 -82.66423      43.10477 
1 1 1 3   11  27 o 202.9551 16.30787 1019.580       156.9052 940.9909       207.5429 1124.420       239.7124 191.6740 23.11445 208.9244 24.46159 -17.25040      33.65483 
1 1 1 3   11  28 o 88.79863 30.84372 199.2477       160.1024 -54.94247      266.9841 341.9843       200.0662 76.65896 34.54267 111.0113 34.26958 -34.35236      48.65799 
1 1 1 3   11  29 f 195.5876 19.93324 967.5565       183.7898 994.7778       215.5547 895.0701       351.7476 196.3599 23.42257 172.0256 42.91325 24.33430       48.88930 
1 1 1 3   11  30 o 104.9251 32.45225 310.1107       179.3097 422.5296       314.8030 256.1220       218.1577 118.5425 43.03532 98.06951 35.79205 20.47298       55.97419 
1 1 1 3   11  31 o 119.4893 26.27905 391.2982       146.0317 164.1408       191.6602 705.6849       225.4762 84.36382 32.91304 158.1318 30.93296 -73.76794      45.16765 
1 1 1 3   11  32 o 98.13301 29.16143 274.0090       146.8009 406.0685       191.6306 86.42716       228.3891 117.0070 32.89379 79.23647 33.90273 37.77054       47.23766 
1 1 1 3   11  33 o 62.65617 28.34442 -32.41129      181.8416 -309.0571      315.9596 104.6034       222.3582 66.66424 32.27146 79.03503 33.62305 -12.37079      46.60426 
1 1 1 3   11  34 f 148.0050 22.46686 599.9893       153.9860 697.8066       218.5733 503.5983       216.9739 151.3611 31.24086 123.8143 35.06887 27.54688       46.96613 
1 1 1 3   11  35 o 125.1689 26.04506 460.5690       150.7786 614.3076       216.9070 316.8225       209.7398 136.7957 33.44944 96.15755 35.09464 40.63815       48.48195 
1 1 1 3   11  36 o 63.01058 26.92960 70.28092       143.8045 396.9384       208.3339 -226.9999      198.7454 103.4413 35.21173 50.96169 24.87834 52.47966       43.11378 
1 1 1 3   11  37 o 44.81291 21.71129 -147.9445      143.7611 -449.4056      211.3329 111.7155       196.1345 44.19062 22.22691 68.84764 30.40083 -24.65702      37.65961 
1 1 1 3   12  0  o 174.1812 7.569366 727.6612       62.88270 660.5407       94.63275 780.7313       84.14704 165.4926 12.04306 180.2376 9.802179 -14.74498      15.52798 
1 1 1 3   12  1  o 183.7210 7.464838 809.3215       65.43079 734.8281       117.7989 842.5583       78.68501 174.3076 14.26021 187.3519 8.809339 -13.04433      16.76180 
1 1 1 3   12  2  o 627.3677 10.68609 9435.757       320.5156 0.000000       0.000000 9435.757       320.5156 ?        ?        627.3677 10.68609 0.000000       10.68609 
1 1 1 3   12  3  o 531.9128 9.851768 6780.012       250.5319 0.000000       0.000000 6780.012       250.5319 ?        ?        531.9128 9.851768 0.000000       9.851768 
1 1 1 3   12  4  o 344.9110 10.68609 2854.807       175.9989 0.000000       0.000000 2854.807       175.9989 ?        ?        344.9110 10.68609 0.000000       10.68609 
1 1 1 3   12  5  o 538.5312 9.919603 6950.435       255.3957 0.000000       0.000000 6950.435       255.3957 ?        ?        538.5312 9.919603 0.000000       9.919603 
1 1 1 3   12  6  o 489.4997 11.09551 5746.460       259.6617 0.000000       0.000000 5746.460       259.6617 ?        ?        489.4997 11.09551 0.000000       11.09551 
1 1 1 3   12  7  f 365.7575 14.52342 3221.221       253.4581 0.000000       0.000000 3221.221       253.4581 ?        ?        365.7575 14.52342 0.000000       14.52342 
1 1 1 3   12  8  o 481.3055 7.707727 5546.806       177.3599 4909.300       547.5746 5621.526       187.4660 448.3704 25.65158 484.4953 8.093284 -36.12485      26.89804 
1 1 1 3   12  9  o 499.1730 17.98539 6020.070       428.5178 5879.896       600.8456 6165.176       611.3215 490.6221 25.70544 502.4851 25.53076 -11.86295      36.22968 
1 1 1 3   12  10 o 288.1933 11.70521 1996.951       160.9411 1999.764       242.3802 1994.732       215.2395 287.3259 17.73106 287.3655 15.72670 -0.3961182E-01 23.70063 
1 1 1 3   12  11 o 232.5377 12.32910 1302.611       136.5772 1320.639       190.1213 1283.388       196.3269 233.3135 17.16459 229.8102 18.01292 3.503265       24.88149 
1 1 1 3   12  12 o 293.5719 13.32055 2077.301       186.4713 2174.218       260.5959 1975.608       266.9390 299.2795 18.30052 284.8752 19.72141 14.40433       26.90434 
1 1 1 3   12  13 o 413.7666 16.30618 4140.826       321.9326 4650.363       451.1331 3612.106       459.5463 436.6033 21.68054 383.2662 25.21973 53.33710       33.25779 
1 1 1 3   12  14 o 222.9578 12.13823 1199.172       128.8977 1201.807       170.4885 1195.655       196.9363 222.4334 16.14180 221.2385 18.79680 1.194855       24.77655 
1 1 1 3   12  15 o 135.2807 14.31361 446.3939       91.17244 687.6498       117.7559 85.31905       144.0596 168.1270 14.80091 73.03725 28.52300 95.08972       32.13454 
1 1 1 3   12  16 o 95.95826 20.16309 232.6949       89.55671 258.0850       122.9540 204.0024       130.7057 100.3635 25.55939 90.32860 27.66580 10.03493       37.66535 
1 1 1 3   12  17 o 124.2208 17.10991 381.5702       98.91711 501.3581       135.4707 244.7686       144.7720 141.7842 20.58646 97.94153 28.92245 43.84264       35.50085 
1 1 1 3   12  18 o 269.7464 13.41349 1762.947       172.4413 2174.667       233.4812 1268.832       255.7789 298.7057 16.41241 225.2158 24.13090 73.48987       29.18334 
1 1 1 3   12  19 o 62.90017 25.82856 39.88183       124.4361 13.01251       203.6941 55.87960       157.1737 74.38873 31.92668 70.90472 29.06200 3.484016       43.17305 
1 1 1 3   12  20 o 159.0042 18.70866 627.7346       139.5011 704.6027       159.9571 383.5346       285.1039 168.0400 20.32290 120.9510 41.19128 47.08903       45.93193 
1 1 1 3   12  21 o 326.4684 15.09292 2598.149       234.9341 2738.139       322.1129 2439.044       343.4020 332.5619 20.35697 312.2184 23.17088 20.34344       30.84309 
1 1 1 3   12  22 o 97.01423 27.61792 245.8952       134.2270 225.0935       148.7416 337.1456       311.5303 93.69130 29.64360 116.1770 42.71100 -22.48570      51.99012 
1 1 1 3   12  23 o 437.0605 13.35337 4642.558       278.6961 5068.906       337.2150 3723.776       495.0293 455.4085 15.51071 381.4768 27.32374 73.93170       31.41924 
1 1 1 3   12  24 o 308.0537 16.13035 2330.546       236.7351 2585.767       305.0424 1944.043       375.3867 322.3275 19.89186 273.1239 29.20078 49.20355       35.33230 
1 1 1 3   12  25 o 107.1961 26.31799 305.2131       133.8681 100.2620       172.8705 612.2181       211.5770 77.28246 30.90751 150.8232 30.39350 -73.54075      43.34788 
1 1 1 3   12  26 o 113.9286 26.08922 345.4427       139.0359 317.5381       183.2236 383.3240       213.4789 107.6950 32.71066 117.0713 35.25498 -9.376320      48.09263 
1 1 1 3   12  27 o 270.8575 18.52485 1831.283       238.4414 1931.375       310.0949 1686.500       372.9538 274.4420 23.87117 249.8677 31.95031 24.57426       39.88301 
1 1 1 3   12  28 o 235.0441 16.10776 1368.865       179.9118 1707.180       238.4194 921.4515       274.1796 260.6854 19.26622 182.9022 32.54819 77.78320       37.82291 
1 1 1 3   12  29 f 154.5459 25.33899 635.1284       180.7388 981.1432       290.0175 415.4102       231.1052 186.1784 33.82831 118.7848 36.85970 67.39356       50.02991 
1 1 1 3   12  30 o 204.3279 17.88977 1056.899       172.9983 1319.699       229.7117 712.5239       262.9578 225.7515 21.54455 154.5591 36.22210 71.19241       42.14508 
1 1 1 3   12  31 o 159.5510 26.22111 695.4624       193.0713 648.0977       311.7203 724.9415       245.9204 139.2983 42.73599 156.7194 33.81561 -17.42105      54.49642 
1 1 1 3   12  32 o 199.6007 21.36960 1049.356       200.7533 954.9498       234.6633 1307.041       387.6959 185.1716 27.32735 199.3487 42.00631 -14.17709      50.11301 
1 1 1 3   12  33 o 206.1970 21.64279 1144.769       210.1794 1062.807       246.2360 1364.781       403.4309 192.2883 27.57284 193.6876 44.50317 -1.399292      52.35260 
1 1 1 3   12  34 o 61.57129 29.54755 -171.6396      251.4480 -557.6172      327.2111 385.0057       392.9490 57.66867 28.81001 99.23950 43.45137 -41.57084      52.13481 
1 1 1 3   12  35 f 40.02555 20.13013 -426.6797      173.1336 -357.2010      196.3436 -669.5372      367.0850 45.94732 22.85163 57.87563 29.13423 -11.92831      37.02702 
1 1 1 3   12  36 o 119.0215 32.62410 509.8050       191.1342 589.4507       227.0816 316.2646       353.9863 122.3985 36.24311 85.73036 39.08201 36.66809       53.30072 
1 1 1 3   13  0  o 288.2584 6.863544 1989.299       94.58860 2042.746       143.7455 1948.483       125.6168 291.6457 10.32562 284.9632 9.232603 6.682556       13.85133 
1 1 1 3   13  1  o 350.7281 6.831145 2944.830       114.5440 2962.708       172.0924 2930.609       153.4800 351.3183 10.25694 349.5516 9.191983 1.766724       13.77307 
1 1 1 3   13  2  o 440.5762 16.01286 4683.393       336.7249 0.000000       0.000000 4683.393       336.7249 ?        ?        440.5762 16.01286 0.000000       16.01286 
1 1 1 3   13  3  o 305.2810 10.09262 2237.359       147.1006 0.000000       0.000000 2237.359       147.1006 ?        ?        305.2810 10.09262 0.000000       10.09262 
1 1 1 3   13  4  o 99.61243 12.48266 242.0382       58.14518 0.000000       0.000000 242.0382       58.14518 ?        ?        99.61243 12.48266 0.000000       12.48266 
1 1 1 3   13  5  o 503.7822 17.92201 6137.370       430.9685 0.000000       0.000000 6137.370       430.9685 ?        ?        503.7822 17.92201 0.000000       17.92201 
1 1 1 3   13  6  o 304.9880 10.31588 2233.923       150.2007 0.000000       0.000000 2233.923       150.2007 ?        ?        304.9880 10.31588 0.000000       10.31588 
1 1 1 3   13  7  o 253.6594 9.189244 1544.568       111.2553 0.000000       0.000000 1544.568       111.2553 ?        ?        253.6594 9.189244 0.000000       9.189244 
1 1 1 3   13  8  o 197.8277 7.652386 938.8885       72.23912 904.0856       118.0629 959.7154       91.33109 193.4837 12.83581 199.8108 9.588724 -6.327042      16.02191 
1 1 1 3   13  9  o 273.8532 8.366200 1799.163       109.4069 1866.029       228.6766 1779.314       124.5918 277.2921 17.33621 272.1839 9.589539 5.108124       19.81170 
1 1 1 3   13  10 o 404.1560 11.79253 3929.750       227.6144 3661.659       399.9084 4058.214       276.8283 387.1563 21.69233 410.1436 14.13892 -22.98734      25.89336 
1 1 1 3   13  11 f 229.5398 11.15827 1269.137       122.0844 1379.074       158.2553 1107.545       191.8654 238.8061 13.92168 212.7899 19.06151 26.01617       23.60411 
1 1 1 3   13  12 o 300.2766 11.08150 2170.371       158.8118 2350.046       198.1178 1847.365       265.6351 312.0051 13.31229 274.6886 20.37225 37.31650       24.33610 
1 1 1 3   13  13 o 133.5793 14.78120 436.1779       92.81931 476.4686       123.9742 384.7845       140.0179 138.6901 19.21261 123.0160 24.66682 15.67403       31.26622 
1 1 1 3   13  14 o 312.4561 13.72007 2361.447       204.4531 2241.093       284.7868 2489.452       293.7000 302.4536 19.80378 319.0079 19.34821 -16.55426      27.68652 
1 1 1 3   13  15 o 117.5208 18.54476 344.3590       100.7430 422.2740       145.6891 272.9648       139.4593 128.7316 24.56793 102.8274 27.73575 25.90421       37.05206 
1 1 1 3   13  16 o 154.2102 13.69825 579.5074       99.94213 674.0444       128.5856 435.2513       158.8396 165.7501 16.44324 129.9908 26.45941 35.75932       31.15254 
1 1 1 3   13  17 o 203.9770 14.07645 1012.553       136.4304 1276.927       196.2940 765.4980       189.7556 227.9077 18.16545 174.3811 23.34683 53.52669       29.58138 
1 1 1 3   13  18 o 253.4467 14.71655 1564.690       177.5534 1856.246       234.6497 1174.154       271.5748 274.9119 17.95148 214.5624 27.07622 60.34947       32.48657 
1 1 1 3   13  19 o 233.1834 14.29088 1324.768       158.5528 1719.043       214.3874 848.7717       235.5602 264.7379 17.02880 181.3126 28.08198 83.42531       32.84171 
1 1 1 3   13  20 o 342.5584 15.24162 2862.606       248.9919 2979.859       342.5094 2731.190       362.6046 346.5733 20.76661 330.3195 23.10672 16.25375       31.06723 
1 1 1 3   13  21 o 277.9909 15.64418 1891.721       207.0788 1989.940       264.5306 1736.274       332.7886 283.2434 19.65669 260.2516 27.14507 22.99179       33.51478 
1 1 1 3   13  22 o 139.3084 19.20689 487.4617       124.5207 571.6246       157.3640 346.5051       203.6515 149.7235 22.69456 113.2256 34.50530 36.49785       41.29962 
1 1 1 3   13  23 o 153.9413 21.36634 601.6285       153.0175 717.3577       171.2119 142.2863       341.0992 168.1154 21.81587 99.77939 42.00669 68.33598       47.33385 
1 1 1 3   13  24 o 290.6028 15.43067 2075.705       213.6158 2158.608       285.7324 1970.654       321.6425 293.3304 20.50395 277.4430 24.50036 15.88733       31.94808 
1 1 1 3   13  25 o 61.49815 26.50879 7.458528       141.5893 52.75636       154.0887 -238.2567      358.8790 68.69878 28.52630 78.98312 37.13709 -10.28434      46.82856 
1 1 1 3   13  26 f 163.9052 24.19223 697.5257       183.8819 829.7167       287.6351 606.1605       239.1285 171.3076 36.25249 146.8053 34.63453 24.50230       50.13775 
1 1 1 3   13  27 o 166.6315 20.04180 705.9177       156.4608 632.6143       202.5943 814.2501       246.2885 153.0022 28.75160 172.5474 30.99484 -19.54526      42.27688 
1 1 1 3   13  28 o 77.10444 30.50740 118.6165       166.6814 245.7108       185.9404 -401.3291      376.0881 95.22498 33.22942 72.88670 35.26560 22.33827       48.45469 
1 1 1 3   13  29 o 308.7061 17.80009 2404.729       261.5956 2464.880       338.3821 2315.380       412.4088 306.9846 23.22828 289.0707 30.29041 17.91391       38.17148 
1 1 1 3   13  30 o 51.32065 23.40779 -54.03917      127.1970 24.76217       159.4603 -191.8919      210.9082 64.71699 28.01469 58.00903 27.62466 6.707958       39.34393 
1 1 1 3   13  31 o 62.77804 26.39456 48.69788       134.3913 210.1354       168.2235 -236.0938      223.4334 87.07194 31.48041 57.32383 27.59754 29.74811       41.86456 
1 1 1 3   13  32 o 135.8747 30.12185 555.3228       190.5334 391.7290       301.6636 663.8997       245.7584 104.9598 41.19070 142.3649 36.07046 -37.40511      54.75173 
1 1 1 3   13  33 f 95.85555 29.72757 288.8475       150.3472 565.5346       192.8315 -140.1252      240.1035 134.4214 30.68341 61.66813 29.39727 72.75330       42.49319 
1 1 1 3   13  34 o 74.24483 30.00882 150.7233       164.8175 43.34091       225.0667 274.9037       242.0312 69.20719 31.39798 88.74546 36.18211 -19.53827      47.90593 
1 1 1 3   13  35 o 52.66105 24.55254 -45.98636      151.4064 31.09311       190.3114 -178.8950      249.9034 62.86146 28.65647 57.94526 28.20057 4.916199       40.20529 
1 1 1 3   14  0  o 296.9731 6.467717 2111.971       91.82829 2089.364       148.4382 2125.988       116.8771 294.7571 10.55052 297.6812 8.220261 -2.924072      13.37484 
1 1 1 3   14  1  o 179.8088 9.491149 777.9341       81.30125 0.000000       0.000000 777.9341       81.30125 ?        ?        179.8088 9.491149 0.000000       9.491149 
1 1 1 3   14  2  o 240.8109 11.08663 1396.285       127.2967 0.000000       0.000000 1396.285       127.2967 ?        ?        240.8109 11.08663 0.000000       11.08663 
1 1 1 3   14  3  o 96.69612 11.10618 227.5776       50.41211 0.000000       0.000000 227.5776       50.41211 ?        ?        96.69612 11.10618 0.000000       11.10618 
1 1 1 3   14  4  o 389.0308 14.95491 3657.437       277.6301 0.000000       0.000000 3657.437       277.6301 ?        ?        389.0308 14.95491 0.000000       14.95491 
1 1 1 3   14  5  o 721.1368 25.13826 12784.84       865.3594 0.000000       0.000000 12784.84       865.3594 ?        ?        721.1368 25.13826 0.000000       25.13826 
1 1 1 3   14  6  o 431.3191 8.172734 4460.215       168.5289 0.000000       0.000000 4460.215       168.5289 ?        ?        431.3191 8.172734 0.000000       8.172734 
1 1 1 3   14  7  o 272.5477 8.896580 1783.940       115.7688 0.000000       0.000000 1783.940       115.7688 ?        ?        272.5477 8.896580 0.000000       8.896580 
1 1 1 3   14  8  o 66.54318 17.49678 111.2497       56.39132 0.000000       0.000000 111.2497       56.39132 ?        ?        66.54318 17.49678 0.000000       17.49678 
1 1 1 3   14  9  o 183.3120 8.028744 807.3407       70.19273 776.7015       112.6866 826.7661       89.72611 179.0056 13.26150 185.2289 10.17119 -6.223267      16.71289 
1 1 1 3   14  10 o 198.6970 8.482059 948.9755       80.38975 930.0909       144.0884 957.5105       96.86737 195.4406 15.54886 199.3474 10.19774 -3.906830      18.59465 
1 1 1 3   14  11 o 176.9417 9.062490 753.7150       76.40767 974.6500       139.1005 658.2473       91.43761 200.2377 14.63128 164.9245 11.67202 35.31326       18.71658 
1 1 1 3   14  12 o 46.44437 18.22273 31.49281       59.02963 44.32974       70.03419 -0.9617744E-03 109.6962 51.85655 19.98735 54.78634 23.46983 -2.929794      30.82738 
1 1 1 3   14  13 o 174.1656 12.60399 735.9453       104.2391 846.4323       134.3414 568.7829       165.2431 186.2478 15.21986 149.9874 23.84112 36.26039       28.28503 
1 1 1 3   14  14 o 83.06136 24.40741 174.8341       103.3132 318.8803       169.1815 89.17420       130.4641 110.3449 30.86637 70.83638 27.28606 39.50854       41.19784 
1 1 1 3   14  15 o 156.5080 14.47994 598.9346       107.1176 798.5488       144.2205 353.3243       159.9759 180.2301 16.93600 116.0419 28.93609 64.18812       33.52798 
1 1 1 3   14  16 o 330.3044 11.84210 2638.043       186.7016 2902.555       232.8743 2162.110       312.3716 345.6683 14.12111 294.6574 22.34057 51.01089       26.42929 
1 1 1 3   14  17 o 272.8394 13.28295 1807.548       172.7440 1820.491       233.5683 1791.918       256.6541 272.0418 18.06076 268.9890 20.10285 3.052765       27.02435 
1 1 1 3   14  18 o 330.4915 13.90500 2655.750       219.2139 3006.626       328.9604 2375.477       294.0067 348.7114 19.81344 309.7619 19.95898 38.94952       28.12354 
1 1 1 3   14  19 o 215.2059 15.03350 1133.565       153.7032 1338.225       212.6315 909.5911       222.4382 232.2121 19.32798 188.5925 25.30871 43.61964       31.84496 
1 1 1 3   14  20 o 85.71680 28.64106 182.6408       137.8405 498.1576       217.7860 -28.21634      178.0381 135.1223 33.80085 65.60152 28.96607 69.52079       44.51439 
1 1 1 3   14  21 f 229.0547 16.31478 1292.458       177.4910 1179.885       251.7763 1403.671       250.2511 214.5830 25.01037 235.7117 22.47871 -21.12871      33.62754 
1 1 1 3   14  22 o 225.7053 16.70176 1259.432       178.9470 1463.525       253.5704 1056.944       252.5712 240.3865 22.31868 201.4370 26.89791 38.94957       34.95170 
1 1 1 3   14  23 o 257.7718 15.93303 1638.785       195.3954 2212.767       270.9871 1017.186       282.0037 297.7112 19.14045 194.2167 31.44528 103.4945       36.81253 
1 1 1 3   14  24 o 255.4156 16.75645 1616.078       203.4851 1550.372       279.3623 1690.337       296.9888 245.6442 24.09748 256.2467 24.54186 -10.60246      34.39464 
1 1 1 3   14  25 o 402.2195 17.52871 4017.607       336.2617 4388.879       460.4685 3593.386       492.2085 414.5358 23.32843 369.7560 28.05294 44.77982       36.48538 
1 1 1 3   14  26 f 116.8220 28.62768 374.5892       158.6189 368.5552       173.4827 405.3439       391.6603 114.9139 30.90800 119.2505 46.89365 -4.336563      56.16332 
1 1 1 3   14  27 o 265.5450 16.59910 1763.827       209.6783 1981.151       276.9177 1471.801       321.0024 277.8664 21.00068 231.6629 29.66271 46.20343       36.34425 
1 1 1 3   14  28 o 116.3912 27.23428 376.6389       148.8416 340.4988       191.6220 431.6086       236.3262 107.7092 33.58614 118.6441 37.34286 -10.93487      50.22467 
1 1 1 3   14  29 o 181.0079 18.37583 839.2925       156.8189 949.0452       194.3093 634.2584       265.5823 190.1151 21.77025 141.7817 38.28887 48.33344       44.04522 
1 1 1 3   14  30 f 113.0026 36.13918 406.4328       220.5783 234.6131       267.5765 770.8172       389.6650 93.35263 38.04998 140.6862 48.15025 -47.33357      61.36976 
1 1 1 3   14  31 o 139.9553 22.99913 540.9083       148.5488 684.0062       187.4457 299.2931       243.5684 154.6805 26.28704 95.99183 37.20015 58.68865       45.55062 
1 1 1 3   14  32 o 67.43575 29.49688 60.02811       180.6867 163.7021       284.5709 -10.00105      233.8811 82.93562 36.62032 67.90728 31.25767 15.02834       48.14654 
1 1 1 3   14  33 o 126.7757 26.30471 484.2107       154.2036 480.3294       193.1466 491.0336       256.0844 118.5799 32.91006 110.6385 38.96727 7.941452       51.00510 
1 1 1 3   14  34 o 90.28416 30.22206 285.4425       153.4687 240.6636       189.6675 370.3512       261.1755 81.98534 32.50980 92.17976 37.58451 -10.19441      49.69389 
1 1 1 3   15  0  f 327.1790 6.403368 2564.685       100.1618 2372.735       161.7131 2684.156       127.5798 313.8618 10.79307 334.5037 7.977610 -20.64182      13.42135 
1 1 1 3   15  1  o 164.7185 11.29927 656.1216       88.44285 0.000000       0.000000 656.1216       88.44285 ?        ?        164.7185 11.29927 0.000000       11.29927 
1 1 1 3   15  2  o 135.6462 11.39051 446.0055       73.18684 0.000000       0.000000 446.0055       73.18684 ?        ?        135.6462 11.39051 0.000000       11.39051 
1 1 1 3   15  3  o 315.9866 10.52843 2403.926       158.8304 0.000000       0.000000 2403.926       158.8304 ?        ?        315.9866 10.52843 0.000000       10.52843 
1 1 1 3   15  4  o 261.9468 10.67610 1653.256       133.4206 0.000000       0.000000 1653.256       133.4206 ?        ?        261.9468 10.67610 0.000000       10.67610 
1 1 1 3   15  5  o 73.61378 14.51171 135.5114       49.25607 0.000000       0.000000 135.5114       49.25607 ?        ?        73.61378 14.51171 0.000000       14.51171 
1 1 1 3   15  6  f 175.6856 11.84275 747.0307       98.88998 0.000000       0.000000 747.0307       98.88998 ?        ?        175.6856 11.84275 0.000000       11.84275 
1 1 1 3   15  7  f 100.9711 13.93776 250.9692       65.48927 0.000000       0.000000 250.9692       65.48927 ?        ?        100.9711 13.93776 0.000000       13.93776 
1 1 1 3   15  8  o 448.4022 8.295451 4826.392       177.8345 0.000000       0.000000 4826.392       177.8345 ?        ?        448.4022 8.295451 0.000000       8.295451 
1 1 1 3   15  9  o 236.5102 9.632970 1347.114       108.6947 0.000000       0.000000 1347.114       108.6947 ?        ?        236.5102 9.632970 0.000000       9.632970 
1 1 1 3   15  10 o 381.4424 15.49227 3537.976       281.9341 0.000000       0.000000 3537.976       281.9341 ?        ?        381.4424 15.49227 0.000000       15.49227 
1 1 1 3   15  11 o 275.6802 10.59650 1833.149       139.4014 1808.417       239.7966 1845.773       171.3250 271.3032 18.60010 276.0020 13.02046 -4.698822      22.70454 
1 1 1 3   15  12 o 173.6519 9.253719 727.1729       76.54790 732.7388       130.5670 724.2578       94.49035 172.8455 15.98126 172.8946 11.49666 -0.4916382E-01 19.68690 
1 1 1 3   15  13 o 74.38099 25.16538 130.8988       106.3976 231.0037       124.2419 -144.4506      206.0547 94.49657 26.45755 62.76345 29.04943 31.73311       39.29213 
1 1 1 3   15  14 o 256.8526 20.74345 1637.238       252.5608 0.000000       0.000000 1637.238       252.5608 ?        ?        256.8526 20.74345 0.000000       20.74345 
1 1 1 3   15  15 o 249.5183 12.48212 1509.899       148.4287 1788.850       195.3829 1129.212       228.2479 270.7513 15.15459 212.0009 22.88166 58.75043       27.44508 
1 1 1 3   15  16 o 37.86440 17.73630 -77.52251      80.53707 -86.93704      101.6502 -61.64725      131.9985 43.31264 20.16842 53.30934 24.12946 -9.996704      31.44831 
1 1 1 3   15  17 o 337.3213 12.54665 2760.420       201.9865 3052.640       256.7420 2285.773       327.2106 353.5410 15.22537 301.7829 22.84880 51.75809       27.45687 
1 1 1 3   15  18 o 82.85697 22.76138 177.3371       92.92075 196.3298       100.2685 61.81327       247.2908 86.98171 23.54202 83.96239 35.57801 3.019325       42.66171 
1 1 1 3   15  19 o 97.54718 19.80705 243.8335       89.21495 261.3369       106.1057 201.6053       164.8080 100.2596 22.66988 90.24281 31.29656 10.01678       38.64451 
1 1 1 3   15  20 o 58.25894 22.43965 60.85027       88.23067 106.2579       101.8478 -75.71833      176.6292 68.60297 24.53315 61.11929 27.76266 7.483681       37.04917 
1 1 1 3   15  21 o 268.8578 14.60746 1773.139       187.0558 1954.427       243.4819 1512.030       292.2082 280.3263 18.26696 241.8661 25.66132 38.46021       31.49898 
1 1 1 3   15  22 o 151.1972 18.99428 576.5017       134.2789 596.2434       169.2207 542.9359       220.6530 151.4812 24.17850 139.6623 33.48127 11.81889       41.29885 
1 1 1 3   15  23 o 214.0388 16.33512 1135.458       165.8937 1448.512       214.1864 666.0816       262.2667 240.5738 18.77087 152.8699 36.40836 87.70389       40.96235 
1 1 1 3   15  24 o 119.5663 24.27848 378.2823       134.0398 423.1572       165.6484 293.1692       228.1307 124.6550 28.42740 103.9824 36.76524 20.67266       46.47365 
1 1 1 3   15  25 o 212.0113 16.99527 1126.559       170.8227 1223.959       216.4596 965.7515       278.1316 218.4656 20.98225 185.4057 32.56519 33.05992       38.73947 
1 1 1 3   15  26 o 70.59687 31.77518 -30.40886      225.1927 -285.4778      271.8080 527.9084       402.1369 63.51119 30.54114 125.5409 48.02023 -62.02976      56.90961 
1 1 1 3   15  27 o 122.0500 26.47187 412.0474       150.0107 361.9297       183.6862 512.4093       259.9354 110.9201 32.53162 127.1700 39.02695 -16.24989      50.80757 
1 1 1 3   15  28 o 92.86292 28.97337 245.4672       142.5793 331.8693       176.1841 81.49557       242.7107 105.8044 32.06363 79.70343 34.53208 26.10092       47.12262 
1 1 1 3   15  29 o 71.77420 30.61446 76.49344       185.1962 -148.5246      290.6675 230.2610       240.2814 69.44383 32.88414 90.82072 36.39903 -21.37688      49.05360 
1 1 1 3   15  30 o 142.9074 27.43254 598.8043       180.6127 551.9717       199.5979 810.4471       424.3106 132.5702 31.88396 130.9752 49.50770 1.595016       58.88632 
1 1 1 3   15  31 o 68.43899 29.33358 83.51095       171.5199 41.50262       188.2464 288.8826       416.2259 66.43128 29.53461 93.03357 42.39877 -26.60229      51.67155 
1 1 1 3   15  32 o 87.24406 30.54509 252.9990       157.1900 210.4435       199.7916 322.1398       254.6633 81.16927 32.95516 91.76875 37.22557 -10.59948      49.71705 
1 1 1 3   15  33 o 62.21408 26.61743 81.22697       140.7602 89.11627       165.7770 60.84325       266.4691 65.07278 28.36240 69.71339 32.52597 -4.640610      43.15513 
1 1 1 3   16  0  o 159.9570 7.832719 615.4949       59.71752 578.3049       83.26379 654.8889       85.69534 154.4928 11.35227 164.5267 10.95707 -10.03384      15.77756 
1 1 1 3   16  1  o 115.2632 12.03545 323.9308       65.34637 0.000000       0.000000 323.9308       65.34637 ?        ?        115.2632 12.03545 0.000000       12.03545 
1 1 1 3   16  2  f 172.6788 9.896784 719.6113       81.36148 0.000000       0.000000 719.6113       81.36148 ?        ?        172.6788 9.896784 0.000000       9.896784 
1 1 1 3   16  3  o 270.0468 9.276346 1755.053       119.5856 0.000000       0.000000 1755.053       119.5856 ?        ?        270.0468 9.276346 0.000000       9.276346 
1 1 1 3   16  4  o 364.5847 9.386883 3197.939       163.4808 0.000000       0.000000 3197.939       163.4808 ?        ?        364.5847 9.386883 0.000000       9.386883 
1 1 1 3   16  5  o 112.9576 12.56627 311.8829       66.71513 0.000000       0.000000 311.8829       66.71513 ?        ?        112.9576 12.56627 0.000000       12.56627 
1 1 1 3   16  6  o 263.8926 11.88174 1683.876       149.5203 0.000000       0.000000 1683.876       149.5203 ?        ?        263.8926 11.88174 0.000000       11.88174 
1 1 1 3   16  7  o 185.5193 10.96954 832.3566       96.85969 0.000000       0.000000 832.3566       96.85969 ?        ?        185.5193 10.96954 0.000000       10.96954 
1 1 1 3   16  8  o 30.25245 12.98942 -2.023541      33.74367 0.000000       0.000000 -2.023541      33.74367 ?        ?        30.25245 12.98942 0.000000       12.98942 
1 1 1 3   16  9  o 48.52153 18.77721 38.20437       61.99170 0.000000       0.000000 38.20437       61.99170 ?        ?        48.52153 18.77721 0.000000       18.77721 
1 1 1 3   16  10 o 245.9537 9.949884 1458.888       116.7568 0.000000       0.000000 1458.888       116.7568 ?        ?        245.9537 9.949884 0.000000       9.949884 
1 1 1 3   16  11 o 118.3254 12.04055 341.7322       67.16566 0.000000       0.000000 341.7322       67.16566 ?        ?        118.3254 12.04055 0.000000       12.04055 
1 1 1 3   16  12 o 24.80807 12.01369 -71.89563      43.88847 -148.6963      65.54670 -9.481060      59.08964 27.33506 13.52638 38.84638 16.93225 -11.51132      21.67174 
1 1 1 3   16  13 o 323.5675 9.079900 2521.524       140.3217 2793.114       199.1630 2253.816       197.7343 339.5194 12.29003 304.4646 13.61876 35.05475       18.34435 
1 1 1 3   16  14 o 255.9512 13.10164 1592.749       159.7879 1680.938       212.7769 1478.694       241.9772 261.4317 17.11801 243.4038 20.99917 18.02786       27.09228 
1 1 1 3   16  15 o 99.26687 25.38306 258.2235       120.9212 323.6786       140.3593 69.77702       238.1572 110.8007 26.79343 83.52724 35.12864 27.27348       44.18041 
1 1 1 3   16  16 o 193.9147 13.17235 917.5701       121.3938 974.1063       154.6617 826.8509       195.9155 198.7272 16.42514 180.1765 23.28791 18.55070       28.49758 
1 1 1 3   16  17 o 71.35408 23.56570 124.6772       93.38131 94.60662       117.2127 176.9247       154.5029 68.80847 26.01806 85.67565 30.25947 -16.86718      39.90708 
1 1 1 3   16  18 o 141.9697 25.22107 526.1180       164.9142 416.1617       209.6703 704.4930       267.0508 122.4360 34.40273 158.7139 36.02185 -36.27792      49.81086 
1 1 1 3   16  19 o 195.8630 16.67546 951.0485       154.6653 1010.392       231.1348 902.9304       208.1292 197.7016 25.01274 187.4442 23.75773 10.25739       34.49734 
1 1 1 3   16  20 o 96.55557 21.74102 243.0095       97.93748 335.9647       113.3681 -30.44004      194.4431 113.9836 21.59396 67.62508 30.04388 46.35849       36.99911 
1 1 1 3   16  21 f 180.6076 15.14823 805.8633       129.5955 839.3596       156.6982 733.3610       230.5376 183.0900 18.13978 164.5578 30.42356 18.53223       35.42097 
1 1 1 3   16  22 o 326.9887 15.30839 2637.434       238.6511 2632.787       314.3838 2643.753       366.6110 322.8102 20.47617 320.1854 24.12696 2.624786       31.64465 
1 1 1 3   16  23 o 81.16480 24.60933 174.4784       103.7680 212.4311       117.4015 38.94744       221.8560 88.76948 26.00037 76.13087 32.99961 12.63861       42.01183 
1 1 1 3   16  24 o 121.0521 29.46755 411.8337       168.9120 590.8672       235.4693 222.0458       242.4384 141.6315 34.98348 94.49698 36.97329 47.13454       50.90057 
1 1 1 3   16  25 o 273.4593 17.22479 1886.103       224.0490 2442.935       303.2060 1216.373       332.5262 307.8327 20.72300 203.0974 35.54013 104.7354       41.14054 
1 1 1 3   16  26 o 124.0276 27.70275 432.3284       160.1153 487.0702       175.4106 158.8632       392.0555 131.1115 28.77516 96.58935 42.80000 34.52210       51.57373 
1 1 1 3   16  27 o 170.6861 20.00058 762.9547       160.1190 844.4676       201.3579 622.7622       264.0692 175.9408 24.61064 137.9779 38.55061 37.96286       45.73656 
1 1 1 3   16  28 o 156.7678 21.75515 665.7946       158.6640 952.2988       198.9439 165.0769       263.0035 186.8448 22.73874 84.70396 36.31460 102.1409       42.84624 
1 1 1 3   16  29 f 124.4661 33.30433 508.6551       202.0662 815.8495       300.5715 255.3255       272.9507 147.8825 41.05880 89.98920 37.71146 57.89330       55.74925 
1 1 1 3   16  30 o 122.8819 30.88139 486.6571       181.1838 486.7105       197.4114 486.3719       456.3278 119.9909 33.25995 101.2542 45.43097 18.73675       56.30450 
1 1 1 3   16  31 o 105.5750 39.10169 482.1537       261.9326 475.2364       314.3763 497.8560       473.6580 100.1822 41.08637 94.98878 43.99205 5.193451       60.19461 
1 1 1 3   16  32 o 66.43674 28.35905 113.5001       159.1256 180.6403       193.0459 -28.81436      281.0567 74.31094 31.45905 65.53906 31.39522 8.771881       44.44470 
1 1 1 3   17  0  o 418.3172 10.78166 4221.440       215.4456 0.000000       0.000000 4221.440       215.4456 ?        ?        418.3172 10.78166 0.000000       10.78166 
1 1 1 3   17  1  o 120.6077 11.26011 353.9169       64.17676 0.000000       0.000000 353.9169       64.17676 ?        ?        120.6077 11.26011 0.000000       11.26011 
1 1 1 3   17  2  o 295.4594 9.496181 2102.789       133.9648 0.000000       0.000000 2102.789       133.9648 ?        ?        295.4594 9.496181 0.000000       9.496181 
1 1 1 3   17  3  o 166.3968 10.45239 669.8020       82.73123 0.000000       0.000000 669.8020       82.73123 ?        ?        166.3968 10.45239 0.000000       10.45239 
1 1 1 3   17  4  o 320.7028 11.60122 2486.567       177.5819 0.000000       0.000000 2486.567       177.5819 ?        ?        320.7028 11.60122 0.000000       11.60122 
1 1 1 3   17  5  o 304.3618 13.08742 2247.212       189.9925 0.000000       0.000000 2247.212       189.9925 ?        ?        304.3618 13.08742 0.000000       13.08742 
1 1 1 3   17  6  o 206.0255 11.01645 1026.989       108.1157 0.000000       0.000000 1026.989       108.1157 ?        ?        206.0255 11.01645 0.000000       11.01645 
1 1 1 3   17  7  o 344.3668 9.477272 2856.869       155.8834 0.000000       0.000000 2856.869       155.8834 ?        ?        344.3668 9.477272 0.000000       9.477272 
1 1 1 3   17  8  o 202.5812 11.47558 994.4157       110.6885 0.000000       0.000000 994.4157       110.6885 ?        ?        202.5812 11.47558 0.000000       11.47558 
1 1 1 3   17  9  o 31.57343 13.44425 0.3719343      35.60762 0.000000       0.000000 0.3719343      35.60762 ?        ?        31.57343 13.44425 0.000000       13.44425 
1 1 1 3   17  10 o 336.4350 9.309325 2727.790       149.5926 0.000000       0.000000 2727.790       149.5926 ?        ?        336.4350 9.309325 0.000000       9.309325 
1 1 1 3   17  11 o 279.1118 13.44971 1896.179       178.9449 0.000000       0.000000 1896.179       178.9449 ?        ?        279.1118 13.44971 0.000000       13.44971 
1 1 1 3   17  12 o 105.4943 14.74879 276.2416       72.35635 0.000000       0.000000 276.2416       72.35635 ?        ?        105.4943 14.74879 0.000000       14.74879 
1 1 1 3   17  13 o 429.2290 9.793985 4444.638       200.9818 4701.737       253.0291 4005.147       330.8225 440.2905 12.03179 403.3076 17.19683 36.98294       20.98797 
1 1 1 3   17  14 o 219.3824 9.161404 1162.058       95.87720 1287.404       173.4727 1106.929       115.0455 228.6733 15.96779 213.5473 11.30885 15.12602       19.56682 
1 1 1 3   17  15 o 394.7018 12.71204 3790.020       239.5665 3966.223       411.3868 3699.605       294.6892 397.2237 21.74536 388.0494 15.91812 9.174347       26.94897 
1 1 1 3   17  16 o 296.9200 11.86378 2142.315       168.0721 2361.397       205.7727 1703.220       291.3152 310.8327 13.88193 258.3081 23.85888 52.52463       27.60352 
1 1 1 3   17  17 o 303.3047 15.30640 2260.347       221.2352 2855.368       308.6891 1631.930       317.2335 338.4477 19.15570 250.5091 26.90925 87.93863       33.03102 
1 1 1 3   17  18 o 59.99949 21.74831 78.01167       80.35552 -8.177754      91.46719 369.5031       168.2098 48.46483 21.09641 116.3850 30.03057 -67.92017      36.70005 
1 1 1 3   17  19 o 101.4614 25.53291 274.9652       123.7379 320.5947       136.6823 67.71413       291.2980 109.3055 26.44533 87.83086 37.94195 21.47468       46.24875 
1 1 1 3   17  20 o 87.21654 29.03360 199.0795       141.6684 87.97461       218.9304 279.1162       185.8165 80.65249 33.78478 100.8539 33.23950 -20.20136      47.39489 
1 1 1 3   17  21 o 254.2025 18.00299 1625.787       217.3771 1994.230       266.9144 900.0843       374.5987 279.9913 20.07291 166.3858 45.69844 113.6055       49.91261 
1 1 1 3   17  22 o 161.5458 22.42954 683.2357       168.5638 995.9796       230.8799 326.2411       246.6735 193.0983 25.64241 106.1313 38.15308 86.96700       45.96946 
1 1 1 3   17  23 o 69.43326 29.62264 48.34357       173.4603 -101.2026      192.9964 676.8561       395.6568 60.53280 28.05076 137.5347 48.43631 -77.00188      55.97251 
1 1 1 3   17  24 o 40.58644 20.12431 -312.7242      147.8347 -457.8427      190.6108 -93.65305      234.1957 43.76495 21.88289 66.99088 30.99327 -23.22593      37.94000 
1 1 1 3   17  25 f 183.5452 18.98274 872.4045       164.1740 1002.752       202.6946 623.8002       279.9269 194.2303 22.22803 136.7277 40.17564 57.50262       45.91478 
1 1 1 3   17  26 o 229.2599 19.72654 1383.528       214.1154 1497.789       243.6660 996.2986       448.5703 236.2175 21.82278 149.3860 51.64135 86.83151       56.06302 
1 1 1 3   17  27 o 58.04910 25.62736 12.28915       139.3095 103.6819       165.2430 -212.2798      259.0252 70.77385 29.47692 61.19855 29.52595 9.575294       41.72134 
1 1 1 3   17  28 o 171.5927 26.79138 868.0975       212.6078 740.5128       301.9704 993.5125       299.3918 136.4439 42.09890 167.9453 38.15807 -31.50143      56.81862 
1 1 1 3   17  29 o 105.5818 30.00955 366.9413       158.6055 300.8684       189.7725 520.0192       288.8538 92.22568 33.42318 109.0917 40.93174 -16.86601      52.84427 
1 1 1 3   17  30 o 64.67043 28.57336 74.65724       173.5105 66.73419       185.0155 132.4848       499.8381 64.95778 29.05290 80.22478 39.22615 -15.26700      48.81355 
1 1 1 3   18  0  o 94.93449 14.42421 224.0010       63.41019 0.000000       0.000000 224.0010       63.41019 ?        ?        94.93449 14.42421 0.000000       14.42421 
1 1 1 3   18  1  o 314.6335 13.50644 2408.091       202.6944 0.000000       0.000000 2408.091       202.6944 ?        ?        314.6335 13.50644 0.000000       13.50644 
1 1 1 3   18  2  o 174.7552 10.59976 739.7994       88.14295 0.000000       0.000000 739.7994       88.14295 ?        ?        174.7552 10.59976 0.000000       10.59976 
1 1 1 3   18  3  o 341.4513 11.52583 2822.600       187.8825 0.000000       0.000000 2822.600       187.8825 ?        ?        341.4513 11.52583 0.000000       11.52583 
1 1 1 3   18  4  o 128.5286 11.83793 403.0371       71.92509 0.000000       0.000000 403.0371       71.92509 ?        ?        128.5286 11.83793 0.000000       11.83793 
1 1 1 3   18  5  o 109.0114 13.40701 292.7527       68.40340 0.000000       0.000000 292.7527       68.40340 ?        ?        109.0114 13.40701 0.000000       13.40701 
1 1 1 3   18  6  o 52.09407 19.57942 51.35643       66.15382 0.000000       0.000000 51.35643       66.15382 ?        ?        52.09407 19.57942 0.000000       19.57942 
1 1 1 3   18  7  o 173.1273 11.98562 729.3483       98.59280 0.000000       0.000000 729.3483       98.59280 ?        ?        173.1273 11.98562 0.000000       11.98562 
1 1 1 3   18  8  o 205.7626 10.07056 1024.150       98.76595 0.000000       0.000000 1024.150       98.76595 ?        ?        205.7626 10.07056 0.000000       10.07056 
1 1 1 3   18  9  f 49.18442 16.46580 56.24855       45.55502 0.000000       0.000000 56.24855       45.55502 ?        ?        49.18442 16.46580 0.000000       16.46580 
1 1 1 3   18  10 o 47.87169 18.93680 33.35278       64.20953 0.000000       0.000000 33.35278       64.20953 ?        ?        47.87169 18.93680 0.000000       18.93680 
1 1 1 3   18  11 f 30.48251 13.25383 -5.404716      36.01644 0.000000       0.000000 -5.404716      36.01644 ?        ?        30.48251 13.25383 0.000000       13.25383 
1 1 1 3   18  12 o 184.3117 11.90918 827.1148       104.3788 0.000000       0.000000 827.1148       104.3788 ?        ?        184.3117 11.90918 0.000000       11.90918 
1 1 1 3   18  13 o 34.30686 14.67773 -0.4284895     42.80224 0.000000       0.000000 -0.4284895     42.80224 ?        ?        34.30686 14.67773 0.000000       14.67773 
1 1 1 3   18  14 o 111.6885 12.16082 306.3481       63.88775 477.4121       104.0551 202.8438       80.94006 138.5744 15.99971 88.68182 19.61176 49.89262       25.31031 
1 1 1 3   18  15 o 191.8944 10.07463 892.6939       92.10346 810.9329       155.1679 937.1713       114.4455 179.9986 18.28467 195.9765 12.27647 -15.97791      22.02364 
1 1 1 3   18  16 o 65.84758 20.32775 109.4620       70.39349 -205.8949      150.6533 197.5436       79.61960 46.91273 22.60451 87.32186 19.55851 -40.40913      29.89146 
1 1 1 3   18  17 o 122.4146 17.14728 378.3883       97.60593 386.9032       114.6353 355.9439       186.1147 122.5762 20.26937 112.4637 32.67908 10.11253       38.45478 
1 1 1 3   18  18 o 168.7128 16.38239 712.5324       130.4783 710.7189       143.2149 721.3893       316.4953 167.6506 18.15744 152.1909 42.08573 15.45976       45.83559 
1 1 1 3   18  19 o 116.9506 19.00055 352.2553       102.5942 380.2124       120.2932 277.6608       196.4933 120.3701 21.70146 99.67364 34.18980 20.69642       40.49563 
1 1 1 3   18  20 o 181.5240 16.88507 830.6611       144.8561 901.3227       160.4252 518.7054       337.0757 188.4795 18.02253 125.6594 44.66452 62.82009       48.16359 
1 1 1 3   18  21 o 99.39396 28.07199 277.6156       139.2329 338.8086       174.2692 169.6148       231.5171 108.0226 31.68810 87.55546 35.50194 20.46714       47.58701 
1 1 1 3   18  22 o 46.26355 22.11275 -153.6843      137.7692 -19.67754      169.3898 -415.5617      236.7952 62.18914 27.80792 52.75665 26.03245 9.432491       38.09159 
1 1 1 3   18  23 o 67.98005 25.37091 109.9854       110.6731 187.4536       125.3437 -164.0567      235.7487 82.16590 27.30842 62.39508 29.56656 19.77082       40.24836 
1 1 1 3   18  24 o 227.6013 16.16110 1323.809       174.7109 1273.209       209.9654 1437.696       315.0016 219.2330 20.26157 220.0501 30.78320 -0.8170929     36.85291 
1 1 1 3   18  25 o 73.54058 29.04993 136.5688       150.9103 249.1638       159.5274 -821.9973      465.4647 89.67049 30.80474 65.22099 32.82858 24.44951       45.01830 
1 1 1 3   18  26 o 144.3486 27.38931 621.0907       182.1047 529.9332       210.0906 896.5086       365.1796 125.4412 34.13036 142.8469 46.57064 -17.40575      57.73826 
1 1 1 3   18  27 o 138.2666 34.39586 661.1145       226.4354 536.5339       333.4044 767.7784       308.4998 107.5574 42.95393 134.3643 42.71336 -26.80695      60.57616 
1 1 1 3   18  28 o 57.33273 27.63631 -137.4621      225.7248 -107.9331      347.0789 -159.1066      297.1511 68.49422 33.31175 63.24105 30.77184 5.253166       45.34952 
1 1 1 3   18  29 o 63.27819 29.04271 41.78656       199.8978 166.6684       216.2146 -693.1827      524.5295 73.37830 32.17692 63.87411 32.45069 9.504196       45.69903 
1 1 1 3   19  0  o 76.10126 21.56990 148.6824       82.05510 0.000000       0.000000 148.6824       82.05510 ?        ?        76.10126 21.56990 0.000000       21.56990 
1 1 1 3   19  1  o 139.0123 11.61247 471.0168       76.47224 0.000000       0.000000 471.0168       76.47224 ?        ?        139.0123 11.61247 0.000000       11.61247 
1 1 1 3   19  2  o 148.8756 13.25284 542.7324       93.34308 0.000000       0.000000 542.7324       93.34308 ?        ?        148.8756 13.25284 0.000000       13.25284 
1 1 1 3   19  3  o 65.35955 16.67193 108.7918       52.25454 0.000000       0.000000 108.7918       52.25454 ?        ?        65.35955 16.67193 0.000000       16.67193 
1 1 1 3   19  4  o 210.6814 11.05353 1076.462       110.9464 0.000000       0.000000 1076.462       110.9464 ?        ?        210.6814 11.05353 0.000000       11.05353 
1 1 1 3   19  5  o 330.3662 8.622361 2629.793       136.0689 0.000000       0.000000 2629.793       136.0689 ?        ?        330.3662 8.622361 0.000000       8.622361 
1 1 1 3   19  6  f 90.97227 14.07382 206.1628       59.23664 0.000000       0.000000 206.1628       59.23664 ?        ?        90.97227 14.07382 0.000000       14.07382 
1 1 1 3   19  7  o 144.2212 13.22401 510.0406       90.16623 0.000000       0.000000 510.0406       90.16623 ?        ?        144.2212 13.22401 0.000000       13.22401 
1 1 1 3   19  8  o 184.2606 11.41047 825.6423       100.0249 0.000000       0.000000 825.6423       100.0249 ?        ?        184.2606 11.41047 0.000000       11.41047 
1 1 1 3   19  9  o 298.7017 9.818729 2157.208       140.0267 0.000000       0.000000 2157.208       140.0267 ?        ?        298.7017 9.818729 0.000000       9.818729 
1 1 1 3   19  10 o 129.3003 13.66219 412.2126       83.17988 0.000000       0.000000 412.2126       83.17988 ?        ?        129.3003 13.66219 0.000000       13.66219 
1 1 1 3   19  11 o 196.1365 10.53090 934.1249       98.38688 0.000000       0.000000 934.1249       98.38688 ?        ?        196.1365 10.53090 0.000000       10.53090 
1 1 1 3   19  12 o 28.05265 12.77584 -22.69563      37.70989 0.000000       0.000000 -22.69563      37.70989 ?        ?        28.05265 12.77584 0.000000       12.77584 
1 1 1 3   19  13 o 261.7207 10.26405 1662.791       128.1806 0.000000       0.000000 1662.791       128.1806 ?        ?        261.7207 10.26405 0.000000       10.26405 
1 1 1 3   19  14 o 147.0586 13.36610 533.8477       92.94746 0.000000       0.000000 533.8477       92.94746 ?        ?        147.0586 13.36610 0.000000       13.36610 
1 1 1 3   19  15 f 118.7203 14.47057 351.8142       80.43835 0.000000       0.000000 351.8142       80.43835 ?        ?        118.7203 14.47057 0.000000       14.47057 
1 1 1 3   19  16 f 43.87076 17.09023 31.95060       51.61547 51.93602       196.0077 30.46145       53.50390 73.50038 31.42698 44.04396 17.32835 29.45642       35.88770 
1 1 1 3   19  17 o 170.6502 11.52953 714.2106       93.51257 891.1985       165.0927 630.6016       113.4705 187.0529 18.71191 158.8509 15.12344 28.20198       24.05939 
1 1 1 3   19  18 o 207.4052 10.27659 1049.235       101.5834 1184.797       192.2950 996.7595       119.6397 215.5181 18.85238 201.1787 12.50075 14.33942       22.62037 
1 1 1 3   19  19 f 306.5067 17.03059 2371.138       248.5806 2346.392       300.3145 2424.987       443.0075 300.8024 21.01489 290.9558 32.39632 9.846558       38.61538 
1 1 1 3   19  20 o 42.68746 20.20119 -105.6529      109.3621 -154.7249      129.0686 19.25668       205.9214 44.06117 21.15107 70.19283 31.06516 -26.13166      37.58207 
1 1 1 3   19  21 o 125.4107 25.22611 441.5429       146.0033 480.6307       157.5200 203.1774       388.9887 130.2357 26.20710 94.71798 42.26115 35.51768       49.72743 
1 1 1 3   19  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19  26 o 47.52303 23.11238 -179.5506      167.0717 -279.3811      192.6312 123.5410       335.6462 47.25644 23.34836 76.95950 36.09994 -29.70306      42.99246 
1 1 1 3   19  27 o 107.5040 41.10577 594.5845       294.5949 647.5897       353.8102 474.7755       531.9315 104.2235 43.24728 87.28133 42.15965 16.94212       60.39671 
1 1 1 3   20  0  o 133.5091 16.49221 446.5517       103.0328 0.000000       0.000000 446.5517       103.0328 ?        ?        133.5091 16.49221 0.000000       16.49221 
1 1 1 3   20  1  o 123.5867 13.29094 377.1597       77.29722 0.000000       0.000000 377.1597       77.29722 ?        ?        123.5867 13.29094 0.000000       13.29094 
1 1 1 3   20  2  o 138.2811 15.94310 477.2238       103.4735 0.000000       0.000000 477.2238       103.4735 ?        ?        138.2811 15.94310 0.000000       15.94310 
1 1 1 3   20  3  o 171.3956 12.57952 719.8264       102.3615 0.000000       0.000000 719.8264       102.3615 ?        ?        171.3956 12.57952 0.000000       12.57952 
1 1 1 3   20  4  o 95.07565 20.70363 235.6353       91.43467 0.000000       0.000000 235.6353       91.43467 ?        ?        95.07565 20.70363 0.000000       20.70363 
1 1 1 3   20  5  o 291.9866 13.25600 2088.024       184.5650 0.000000       0.000000 2088.024       184.5650 ?        ?        291.9866 13.25600 0.000000       13.25600 
1 1 1 3   20  6  o 310.8375 9.815374 2340.981       145.6814 0.000000       0.000000 2340.981       145.6814 ?        ?        310.8375 9.815374 0.000000       9.815374 
1 1 1 3   20  7  o 201.9082 11.81693 995.8593       113.5702 0.000000       0.000000 995.8593       113.5702 ?        ?        201.9082 11.81693 0.000000       11.81693 
1 1 1 3   20  8  f 24.86844 12.47172 -181.6537      64.12532 0.000000       0.000000 -181.6537      64.12532 ?        ?        24.86844 12.47172 0.000000       12.47172 
1 1 1 3   20  9  o 131.4635 14.61148 430.2130       90.28529 0.000000       0.000000 430.2130       90.28529 ?        ?        131.4635 14.61148 0.000000       14.61148 
1 1 1 3   20  10 o 166.5029 13.87546 685.5062       109.4499 0.000000       0.000000 685.5062       109.4499 ?        ?        166.5029 13.87546 0.000000       13.87546 
1 1 1 3   20  11 o 195.8638 15.43858 954.9598       143.3991 0.000000       0.000000 954.9598       143.3991 ?        ?        195.8638 15.43858 0.000000       15.43858 
1 1 1 3   20  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20  16 o 198.6535 30.85543 1129.384       283.5416 0.000000       0.000000 1129.384       283.5416 ?        ?        198.6535 30.85543 0.000000       30.85543 
1 1 1 3   20  17 o 124.3723 21.91438 416.3073       125.5462 309.9654       144.8093 738.1545       251.9239 103.2582 28.43383 154.6985 34.89597 -51.44025      45.01346 
1 1 1 3   20  18 o 115.1413 16.32232 342.1679       87.33527 97.21746       144.8369 482.1161       109.4772 69.28255 28.08475 136.4943 17.15444 -67.21177      32.90939 
1 1 1 3   20  19 o 43.22333 19.11610 -10.07967      77.84409 -288.2067      135.3970 127.2474       95.14053 38.30693 19.03914 68.99840 23.78601 -30.69146      30.46741 
1 1 1 3   20  20 o 96.25668 16.18116 242.5441       71.82526 203.4198       145.5843 255.1307       82.57429 82.95211 29.36616 97.62437 18.36593 -14.67226      34.63638 
1 1 1 3   20  21 o 94.95572 26.23583 269.1866       123.0537 299.4416       149.5148 205.6678       216.6393 97.76166 29.51840 83.90596 34.22307 13.85570       45.19463 
1 1 1 3   20  22 o 52.91767 23.64560 -2.054981      122.2479 12.12660       142.0640 -42.51927      239.9704 57.48090 25.60007 65.61596 30.69675 -8.135056      39.97067 
1 1 1 3   20  23 o 63.33491 26.07098 91.41618       127.1873 126.8175       148.2184 -7.455719      247.7017 69.32443 28.29544 66.70249 31.19929 2.621941       42.11921 
1 1 1 3   20  24 o 94.26418 28.41957 298.4595       138.6653 289.1208       162.1259 323.9053       267.6198 89.82497 31.04646 87.67271 37.07441 2.152267       48.35695 
1 1 1 3   21  0  o 181.4272 12.18202 809.3617       105.0523 0.000000       0.000000 809.3617       105.0523 ?        ?        181.4272 12.18202 0.000000       12.18202 
1 1 1 3   21  1  o 201.8250 12.79530 1003.043       122.8265 0.000000       0.000000 1003.043       122.8265 ?        ?        201.8250 12.79530 0.000000       12.79530 
1 1 1 3   21  2  o 175.7253 12.93618 761.5658       107.9180 0.000000       0.000000 761.5658       107.9180 ?        ?        175.7253 12.93618 0.000000       12.93618 
1 1 1 3   21  3  o 212.6925 13.65183 1117.503       138.0868 0.000000       0.000000 1117.503       138.0868 ?        ?        212.6925 13.65183 0.000000       13.65183 
1 1 1 3   21  4  o 117.9499 17.03893 353.9607       93.30185 0.000000       0.000000 353.9607       93.30185 ?        ?        117.9499 17.03893 0.000000       17.03893 
1 1 1 3   21  5  o 181.9361 13.83033 819.8524       119.3971 0.000000       0.000000 819.8524       119.3971 ?        ?        181.9361 13.83033 0.000000       13.83033 
1 1 1 3   21  6  o 132.1121 13.13740 432.8512       81.87912 0.000000       0.000000 432.8512       81.87912 ?        ?        132.1121 13.13740 0.000000       13.13740 
1 1 1 3   21  7  o 238.4530 10.85836 1388.881       123.4622 0.000000       0.000000 1388.881       123.4622 ?        ?        238.4530 10.85836 0.000000       10.85836 
1 1 1 3   21  8  o 110.4367 13.46272 304.7015       69.61391 0.000000       0.000000 304.7015       69.61391 ?        ?        110.4367 13.46272 0.000000       13.46272 
1 1 1 3   21  9  o 105.4234 18.25796 288.2718       88.69174 0.000000       0.000000 288.2718       88.69174 ?        ?        105.4234 18.25796 0.000000       18.25796 
1 1 1 3   21  10 o 71.48557 17.22061 133.8341       58.15163 0.000000       0.000000 133.8341       58.15163 ?        ?        71.48557 17.22061 0.000000       17.22061 
1 1 1 3   21  11 o 79.11377 18.26254 165.3058       67.67608 0.000000       0.000000 165.3058       67.67608 ?        ?        79.11377 18.26254 0.000000       18.26254 
1 1 1 3   21  12 o 150.7476 14.59774 572.3768       103.8918 0.000000       0.000000 572.3768       103.8918 ?        ?        150.7476 14.59774 0.000000       14.59774 
1 1 1 3   21  13 o 105.9649 17.58572 293.0980       85.96863 0.000000       0.000000 293.0980       85.96863 ?        ?        105.9649 17.58572 0.000000       17.58572 
1 1 1 3   21  14 o 150.1199 14.24320 569.2379       101.0014 0.000000       0.000000 569.2379       101.0014 ?        ?        150.1199 14.24320 0.000000       14.24320 
1 1 1 3   21  15 o 74.72213 23.63957 154.8515       94.59303 0.000000       0.000000 154.8515       94.59303 ?        ?        74.72213 23.63957 0.000000       23.63957 
1 1 1 3   21  16 o 51.55814 21.53951 32.32451       88.63036 0.000000       0.000000 32.32451       88.63036 ?        ?        51.55814 21.53951 0.000000       21.53951 
1 1 1 3   21  17 f 96.96494 21.48659 261.4173       96.98574 0.000000       0.000000 261.4173       96.98574 ?        ?        96.96494 21.48659 0.000000       21.48659 
1 1 1 3   21  18 o 180.5908 14.74601 835.8777       126.2073 0.000000       0.000000 835.8777       126.2073 ?        ?        180.5908 14.74601 0.000000       14.74601 
1 1 1 3   21  19 f 55.09633 19.00555 78.53646       60.74459 186.4673       137.7005 52.45821       67.68649 78.29144 28.45673 50.21824 19.56857 28.07320       34.53570 
1 1 1 3   21  20 o 71.76614 18.71454 144.1417       64.86445 143.9067       141.4756 144.2043       72.98784 71.24742 28.13247 71.05840 20.40971 0.1890259      34.75618 
1 1 1 3   21  21 o 114.1283 14.19604 340.7900       75.78892 341.5459       156.8518 340.5598       86.56480 99.31197 30.28553 112.3829 16.61125 -13.07088      34.54197 
1 1 1 3   22  0  o 47.58764 19.87992 22.13625       75.49426 0.000000       0.000000 22.13625       75.49426 ?        ?        47.58764 19.87992 0.000000       19.87992 
1 1 1 3   22  1  o 176.2143 11.98870 769.0693       100.3986 0.000000       0.000000 769.0693       100.3986 ?        ?        176.2143 11.98870 0.000000       11.98870 
1 1 1 3   22  2  o 205.5599 13.27425 1053.404       129.7563 0.000000       0.000000 1053.404       129.7563 ?        ?        205.5599 13.27425 0.000000       13.27425 
1 1 1 3   22  3  o 151.6801 15.54053 584.5394       111.1029 0.000000       0.000000 584.5394       111.1029 ?        ?        151.6801 15.54053 0.000000       15.54053 
1 1 1 3   22  4  o 169.8455 13.45561 721.5455       108.3689 0.000000       0.000000 721.5455       108.3689 ?        ?        169.8455 13.45561 0.000000       13.45561 
1 1 1 3   22  5  o 128.1561 19.86481 434.9444       117.7753 0.000000       0.000000 434.9444       117.7753 ?        ?        128.1561 19.86481 0.000000       19.86481 
1 1 1 3   22  6  o 128.6972 17.22926 428.8564       103.3486 0.000000       0.000000 428.8564       103.3486 ?        ?        128.6972 17.22926 0.000000       17.22926 
1 1 1 3   22  7  o 132.7336 15.54871 450.0634       96.80164 0.000000       0.000000 450.0634       96.80164 ?        ?        132.7336 15.54871 0.000000       15.54871 
1 1 1 3   22  8  o 85.90651 16.52578 193.2225       65.40895 0.000000       0.000000 193.2225       65.40895 ?        ?        85.90651 16.52578 0.000000       16.52578 
1 1 1 3   22  9  o 116.0537 13.18210 339.5039       71.84513 0.000000       0.000000 339.5039       71.84513 ?        ?        116.0537 13.18210 0.000000       13.18210 
1 1 1 3   22  10 o 118.0707 16.14021 360.5241       88.72613 0.000000       0.000000 360.5241       88.72613 ?        ?        118.0707 16.14021 0.000000       16.14021 
1 1 1 3   22  11 o 52.67844 21.46323 44.09731       85.10008 0.000000       0.000000 44.09731       85.10008 ?        ?        52.67844 21.46323 0.000000       21.46323 
1 1 1 3   22  12 o 107.3751 15.60173 299.1808       77.74917 0.000000       0.000000 299.1808       77.74917 ?        ?        107.3751 15.60173 0.000000       15.60173 
1 1 1 3   22  13 o 40.81437 17.13714 14.67999       56.53416 0.000000       0.000000 14.67999       56.53416 ?        ?        40.81437 17.13714 0.000000       17.13714 
1 1 1 3   22  14 f 62.44806 24.03774 94.92390       101.1993 0.000000       0.000000 94.92390       101.1993 ?        ?        62.44806 24.03774 0.000000       24.03774 
1 1 1 3   22  15 o 79.16663 25.29989 188.2542       108.1194 0.000000       0.000000 188.2542       108.1194 ?        ?        79.16663 25.29989 0.000000       25.29989 
1 1 1 3   22  16 o 67.26447 25.14988 126.0030       108.8533 0.000000       0.000000 126.0030       108.8533 ?        ?        67.26447 25.14988 0.000000       25.14988 
1 1 1 3   22  17 o 105.5143 16.52096 299.2008       80.60761 0.000000       0.000000 299.2008       80.60761 ?        ?        105.5143 16.52096 0.000000       16.52096 
1 1 1 3   23  1  o 74.07393 17.67579 148.8617       61.72207 0.000000       0.000000 148.8617       61.72207 ?        ?        74.07393 17.67579 0.000000       17.67579 
1 1 1 3   23  2  o 55.68412 25.01477 -6.157440      138.8101 0.000000       0.000000 -6.157440      138.8101 ?        ?        55.68412 25.01477 0.000000       25.01477 
1 1 1 3   23  3  o 63.20181 22.65846 104.9855       86.93495 0.000000       0.000000 104.9855       86.93495 ?        ?        63.20181 22.65846 0.000000       22.65846 
1 1 1 3   23  4  o 152.5485 16.55303 609.5670       118.7914 0.000000       0.000000 609.5670       118.7914 ?        ?        152.5485 16.55303 0.000000       16.55303 
1 1 1 3   23  5  o 96.64859 34.74913 326.6512       204.6298 0.000000       0.000000 326.6512       204.6298 ?        ?        96.64859 34.74913 0.000000       34.74913 
1 1 1 3   23  6  o 73.77283 23.53634 156.9023       93.60252 0.000000       0.000000 156.9023       93.60252 ?        ?        73.77283 23.53634 0.000000       23.53634 
1 1 1 3   23  7  o 82.66056 22.10602 196.5153       89.05531 0.000000       0.000000 196.5153       89.05531 ?        ?        82.66056 22.10602 0.000000       22.10602 
1 1 1 3   23  8  o 190.0665 12.38748 911.7601       111.9500 0.000000       0.000000 911.7601       111.9500 ?        ?        190.0665 12.38748 0.000000       12.38748 
1 1 1 3   23  9  o 127.7863 30.13134 525.6808       181.0659 0.000000       0.000000 525.6808       181.0659 ?        ?        127.7863 30.13134 0.000000       30.13134 
1 1 1 4   -19 0  o 147.7954 13.23160 555.0316       92.50548 555.0316       92.50548 0.000000       0.000000 147.7954 13.23160 ?        ?        0.000000       13.23160 
1 1 1 4   -19 1  o 187.2362 13.88562 893.8184       123.4131 893.8184       123.4131 0.000000       0.000000 187.2362 13.88562 ?        ?        0.000000       13.88562 
1 1 1 4   -19 2  o 131.5107 17.47645 459.5470       107.1636 459.5470       107.1636 0.000000       0.000000 131.5107 17.47645 ?        ?        0.000000       17.47645 
1 1 1 4   -19 3  o 78.80443 20.31973 174.4005       77.04830 174.4005       77.04830 0.000000       0.000000 78.80443 20.31973 ?        ?        0.000000       20.31973 
1 1 1 4   -19 4  f 79.32904 27.36003 190.9789       125.8848 190.9789       125.8848 0.000000       0.000000 79.32904 27.36003 ?        ?        0.000000       27.36003 
1 1 1 4   -19 5  o 39.33677 17.88822 -27.42044      73.58343 -27.42044      73.58343 0.000000       0.000000 39.33677 17.88822 ?        ?        0.000000       17.88822 
1 1 1 4   -18 0  o 139.1718 14.03619 488.4969       92.11718 488.4969       92.11718 0.000000       0.000000 139.1718 14.03619 ?        ?        0.000000       14.03619 
1 1 1 4   -18 1  o 27.89022 13.36422 -66.93571      51.01073 -66.93571      51.01073 0.000000       0.000000 27.89022 13.36422 ?        ?        0.000000       13.36422 
1 1 1 4   -18 2  o 112.8166 18.23719 334.2396       95.01031 334.2396       95.01031 0.000000       0.000000 112.8166 18.23719 ?        ?        0.000000       18.23719 
1 1 1 4   -18 3  o 48.77645 20.99171 10.21269       88.51514 10.21269       88.51514 0.000000       0.000000 48.77645 20.99171 ?        ?        0.000000       20.99171 
1 1 1 4   -18 4  o 118.4017 17.00883 363.7368       93.52087 363.7368       93.52087 0.000000       0.000000 118.4017 17.00883 ?        ?        0.000000       17.00883 
1 1 1 4   -18 5  o 93.28934 25.64855 249.4727       117.9332 249.4727       117.9332 0.000000       0.000000 93.28934 25.64855 ?        ?        0.000000       25.64855 
1 1 1 4   -18 6  o 161.6482 12.99481 654.0523       99.58122 654.0523       99.58122 0.000000       0.000000 161.6482 12.99481 ?        ?        0.000000       12.99481 
1 1 1 4   -18 7  o 101.9418 25.53561 299.0144       124.1760 299.0144       124.1760 0.000000       0.000000 101.9418 25.53561 ?        ?        0.000000       25.53561 
1 1 1 4   -18 8  o 48.81889 18.59600 49.11265       60.14503 52.99651       83.36160 44.89575       86.86218 53.83666 21.48559 53.14094 21.67202 0.6957207      30.51733 
1 1 1 4   -18 9  o 63.00808 21.40730 104.8589       76.99862 255.5436       143.0238 43.36133       91.36987 91.35130 29.08807 53.52255 22.07116 37.82875       36.51372 
1 1 1 4   -18 10 o 34.05171 15.41358 -22.25201      53.86934 -24.70695      73.74532 -19.44337      78.87901 39.98513 18.07313 42.03076 18.87102 -2.045628      26.12955 
1 1 1 4   -18 11 o 46.98403 16.81906 51.98249       47.88099 -48.38482      170.0722 60.62253       49.89935 57.18652 26.44120 49.59065 17.21962 7.595871       31.55396 
1 1 1 4   -17 0  o 166.5970 12.93554 684.9695       102.2224 684.9695       102.2224 0.000000       0.000000 166.5970 12.93554 ?        ?        0.000000       12.93554 
1 1 1 4   -17 1  f 94.49938 16.48721 228.3383       71.77995 228.3383       71.77995 0.000000       0.000000 94.49938 16.48721 ?        ?        0.000000       16.48721 
1 1 1 4   -17 2  o 287.4559 12.43539 2027.907       170.4945 2027.907       170.4945 0.000000       0.000000 287.4559 12.43539 ?        ?        0.000000       12.43539 
1 1 1 4   -17 3  o 246.7243 11.12861 1487.338       130.9308 1487.338       130.9308 0.000000       0.000000 246.7243 11.12861 ?        ?        0.000000       11.12861 
1 1 1 4   -17 4  o 125.0236 16.36082 395.9385       95.44836 395.9385       95.44836 0.000000       0.000000 125.0236 16.36082 ?        ?        0.000000       16.36082 
1 1 1 4   -17 5  o 33.35265 15.50199 -48.16443      59.62203 -48.16443      59.62203 0.000000       0.000000 33.35265 15.50199 ?        ?        0.000000       15.50199 
1 1 1 4   -17 6  f 71.10860 25.04630 126.4397       105.7975 126.4397       105.7975 0.000000       0.000000 71.10860 25.04630 ?        ?        0.000000       25.04630 
1 1 1 4   -17 7  o 89.70288 16.14143 207.1199       66.67891 232.7787       98.22305 185.1885       90.80916 92.66842 22.41688 82.67581 22.41566 9.992607       31.70140 
1 1 1 4   -17 8  o 169.9749 9.633082 705.5616       77.96093 730.3399       107.6065 678.1859       113.1058 171.3603 13.23724 164.4394 14.53657 6.920898       19.66052 
1 1 1 4   -17 9  o 70.95012 16.07831 131.3900       53.27258 241.0152       182.4334 121.1708       55.70028 91.50619 32.82142 67.85710 17.16101 23.64909       37.03709 
1 1 1 4   -17 10 o 104.9748 13.56708 277.9130       66.49868 232.6002       105.7923 307.5110       85.50171 91.40624 23.93178 109.0066 16.95759 -17.60039      29.33070 
1 1 1 4   -17 11 o 127.4045 12.63673 405.4253       75.95790 490.5272       169.1520 383.9304       85.01105 130.5517 27.94462 123.0096 14.74907 7.542091       31.59805 
1 1 1 4   -17 12 o 51.47400 19.70000 53.62367       67.70429 -6.090463      100.6580 102.9593       91.49345 49.53454 21.82965 64.45950 23.22802 -14.92496      31.87592 
1 1 1 4   -17 13 o 105.2885 18.90514 295.4274       91.66611 343.8217       193.4856 281.4217       104.0888 103.4174 33.91005 100.8380 22.19376 2.579407       40.52720 
1 1 1 4   -17 14 o 75.49727 18.29457 154.1357       65.33298 303.7292       198.2771 135.9158       69.19734 96.32585 34.25407 70.48282 19.74914 25.84303       39.53947 
1 1 1 4   -17 15 o 138.8655 12.41953 485.4684       81.58371 450.3051       150.1042 500.2110       97.19287 123.7179 26.19468 139.5372 14.79435 -15.81927      30.08378 
1 1 1 4   -16 0  o 66.99435 17.47311 115.6779       56.53805 115.6779       56.53805 0.000000       0.000000 66.99435 17.47311 ?        ?        0.000000       17.47311 
1 1 1 4   -16 1  o 87.89084 15.97311 196.1967       64.64686 196.1967       64.64686 0.000000       0.000000 87.89084 15.97311 ?        ?        0.000000       15.97311 
1 1 1 4   -16 2  o 262.8141 12.02634 1686.014       150.7085 1686.014       150.7085 0.000000       0.000000 262.8141 12.02634 ?        ?        0.000000       12.02634 
1 1 1 4   -16 3  o 194.0929 12.74222 923.6327       117.5858 923.6327       117.5858 0.000000       0.000000 194.0929 12.74222 ?        ?        0.000000       12.74222 
1 1 1 4   -16 4  o 45.25802 20.04153 -19.99431      85.82957 -19.99431      85.82957 0.000000       0.000000 45.25802 20.04153 ?        ?        0.000000       20.04153 
1 1 1 4   -16 5  o 271.7365 10.66320 1795.007       138.2611 1795.007       138.2611 0.000000       0.000000 271.7365 10.66320 ?        ?        0.000000       10.66320 
1 1 1 4   -16 6  o 244.9928 8.195767 1449.690       95.86047 1444.778       133.6340 1454.897       137.5868 243.3627 11.51831 244.0832 11.82564 -0.7204590     16.50809 
1 1 1 4   -16 7  o 243.8355 8.151536 1436.115       94.89291 1497.519       130.7119 1367.692       137.9806 247.9324 11.05522 236.4131 12.24960 11.51930       16.50062 
1 1 1 4   -16 8  o 234.3997 11.20342 1339.805       125.1863 1560.851       195.8739 1187.167       162.7679 250.2518 16.46303 218.5426 15.68271 31.70921       22.73717 
1 1 1 4   -16 9  o 150.9412 11.81371 558.8632       84.57287 722.6370       182.9956 514.3821       95.36885 165.9339 23.74327 144.0184 14.02856 21.91542       27.57795 
1 1 1 4   -16 10 o 198.0242 10.09409 954.2523       95.24865 928.1011       157.6190 969.2955       119.5451 192.0163 17.35691 198.5879 12.65718 -6.571609      21.48177 
1 1 1 4   -16 11 o 158.5882 12.33608 619.5602       92.79596 560.7400       168.7268 645.0671       111.1090 144.2389 25.39483 160.9010 14.60270 -16.66206      29.29396 
1 1 1 4   -16 12 f 79.05475 15.15168 160.1430       55.18242 196.3086       102.6253 145.4336       65.44938 84.92214 24.14014 74.36002 18.48863 10.56212       30.40684 
1 1 1 4   -16 13 o 82.57436 20.36941 182.4365       79.90775 242.7912       183.1313 168.2430       88.80798 92.53946 32.91853 78.87181 22.46826 13.66765       39.85540 
1 1 1 4   -16 14 o 80.45171 15.20507 166.7579       56.34097 71.03126       118.7368 194.5739       64.00536 63.18538 25.49494 86.75050 16.02258 -23.56512      30.11171 
1 1 1 4   -16 15 o 110.7491 12.99175 307.6008       67.48228 292.0410       133.6558 312.9244       78.17868 100.8531 27.13053 110.8134 15.15317 -9.960243      31.07546 
1 1 1 4   -16 16 o 107.1176 14.85713 292.8094       74.04015 618.0467       266.5885 265.6255       77.07228 135.2153 39.05819 101.2155 16.49485 33.99986       42.39838 
1 1 1 4   -16 17 o 75.06241 21.32238 155.3004       80.09385 326.0733       171.5390 107.6914       90.57284 102.0312 31.77150 64.90410 23.14374 37.12708       39.30726 
1 1 1 4   -16 18 f 91.76531 20.06780 230.9756       85.58324 246.2660       184.2235 226.7674       96.64519 88.72820 32.80510 89.50722 22.58775 -0.7790146     39.82940 
1 1 1 4   -16 19 o 102.3025 15.22852 272.3635       72.21506 124.9115       164.3779 307.6288       80.38821 72.32907 29.69148 108.3984 15.99145 -36.06935      33.72404 
1 1 1 4   -15 0  o 279.1607 12.64164 1897.019       168.2821 1897.019       168.2821 0.000000       0.000000 279.1607 12.64164 ?        ?        0.000000       12.64164 
1 1 1 4   -15 1  o 172.4121 11.86347 723.9999       97.19241 723.9999       97.19241 0.000000       0.000000 172.4121 11.86347 ?        ?        0.000000       11.86347 
1 1 1 4   -15 2  o 185.2191 11.50572 834.1612       101.3814 834.1612       101.3814 0.000000       0.000000 185.2191 11.50572 ?        ?        0.000000       11.50572 
1 1 1 4   -15 3  o 178.9022 11.73007 778.9885       99.77510 778.9885       99.77510 0.000000       0.000000 178.9022 11.73007 ?        ?        0.000000       11.73007 
1 1 1 4   -15 4  o 224.8916 10.36462 1224.799       111.1388 1224.799       111.1388 0.000000       0.000000 224.8916 10.36462 ?        ?        0.000000       10.36462 
1 1 1 4   -15 5  f 170.4929 8.924884 702.4457       72.49405 711.2501       100.0470 692.7130       105.1904 170.7282 12.34046 168.2359 13.18346 2.492325       18.05797 
1 1 1 4   -15 6  o 128.0987 10.40109 399.2677       63.15132 376.2961       87.19524 424.6108       91.58530 123.1254 15.13056 130.9642 14.89147 -7.838753      21.22945 
1 1 1 4   -15 7  o 144.5532 10.23381 507.6768       70.26788 556.4506       110.9825 475.0427       90.78139 149.7947 15.73154 138.8679 13.85859 10.92686       20.96526 
1 1 1 4   -15 8  o 317.2263 11.09237 2442.712       167.9705 2521.815       216.2723 2322.461       266.6549 320.8169 14.13522 305.3076 18.35327 15.50931       23.16564 
1 1 1 4   -15 9  o 269.5752 9.209496 1757.080       118.5184 1727.561       206.0933 1771.666       144.8698 264.0760 16.40501 269.9430 11.24995 -5.866943      19.89185 
1 1 1 4   -15 10 o 305.3765 9.687882 2257.614       141.2612 2361.204       272.0402 2219.371       165.2927 307.1981 18.61007 302.0151 11.46850 5.182922       21.86003 
1 1 1 4   -15 11 o 106.5654 16.11640 286.1955       79.54739 270.9527       151.3721 292.0110       93.49847 99.59383 29.61603 106.6499 19.03575 -7.056084      35.20610 
1 1 1 4   -15 12 o 223.8656 9.684951 1215.343       103.4104 1129.688       183.6022 1255.140       125.1488 211.9693 18.29635 226.8185 11.57923 -14.84918      21.65260 
1 1 1 4   -15 13 o 96.88136 16.90969 239.1872       75.47440 381.1110       178.0198 208.0865       83.33470 116.4485 31.30467 89.25173 20.02378 27.19681       37.16092 
1 1 1 4   -15 14 o 91.91396 13.57098 211.4209       57.84364 218.9553       116.2709 208.9428       66.68090 90.04488 25.72739 90.62452 15.97377 -0.5796356     30.28300 
1 1 1 4   -15 15 o 74.96094 16.75695 145.4232       58.54249 42.01512       216.3412 153.5937       60.81129 75.04681 32.55801 77.01685 16.97369 -1.970047      36.71689 
1 1 1 4   -15 16 o 51.95298 20.17336 49.32738       71.73671 76.07110       150.1566 41.41816       81.65836 68.95129 28.34933 52.58676 21.16944 16.36453       35.38121 
1 1 1 4   -15 17 o 80.08199 20.67124 172.2720       79.67924 88.93017       165.2224 197.5286       90.95480 71.79876 29.65076 85.28003 22.12237 -13.48127      36.99414 
1 1 1 4   -15 18 o 38.82909 17.98700 -54.92070      79.25115 -106.3805      257.6968 -49.54530      83.28757 68.38695 31.93318 40.55697 18.66277 27.82998       36.98685 
1 1 1 4   -15 19 o 49.77058 20.94539 22.66978       84.75471 21.30272       247.9325 22.85067       90.18800 74.32584 33.40672 50.99499 21.54128 23.33085       39.74966 
1 1 1 4   -15 20 o 97.61068 19.38654 256.3885       87.27966 373.4431       162.7878 209.1645       103.3973 110.5991 30.02304 85.74152 24.18255 24.85762       38.55098 
1 1 1 4   -15 21 o 138.9587 13.75368 490.6194       90.17466 806.6443       218.3953 425.6695       99.00838 164.1064 28.89089 127.6529 16.61710 36.45351       33.32884 
1 1 1 4   -14 0  o 303.8668 12.61894 2243.509       182.9230 2243.509       182.9230 0.000000       0.000000 303.8668 12.61894 ?        ?        0.000000       12.61894 
1 1 1 4   -14 1  o 67.94799 18.33434 117.6508       60.92609 117.6508       60.92609 0.000000       0.000000 67.94799 18.33434 ?        ?        0.000000       18.33434 
1 1 1 4   -14 2  o 98.86986 17.11590 246.3113       77.97605 246.3113       77.97605 0.000000       0.000000 98.86986 17.11590 ?        ?        0.000000       17.11590 
1 1 1 4   -14 3  o 44.68243 17.63991 28.82431       55.61443 28.82431       55.61443 0.000000       0.000000 44.68243 17.63991 ?        ?        0.000000       17.63991 
1 1 1 4   -14 4  o 111.6336 12.03632 305.2625       63.22456 305.2625       63.22456 0.000000       0.000000 111.6336 12.03632 ?        ?        0.000000       12.03632 
1 1 1 4   -14 5  o 314.3888 8.343425 2379.823       125.2956 2415.651       196.2242 2355.160       162.8073 315.1194 13.05300 311.9521 10.93326 3.167328       17.02695 
1 1 1 4   -14 6  o 343.5219 11.15684 2857.036       182.9901 2865.458       226.2643 2841.112       311.1233 342.8688 13.83158 338.3334 19.31468 4.535431       23.75646 
1 1 1 4   -14 7  o 211.9155 11.11929 1088.989       112.2602 980.6769       164.6858 1183.003       153.4310 198.9749 17.48987 219.7591 14.68785 -20.78415      22.83919 
1 1 1 4   -14 8  o 223.3094 9.452315 1204.244       100.6863 1175.605       177.9557 1217.728       122.1111 218.1017 17.20577 224.0346 11.43856 -5.932907      20.66105 
1 1 1 4   -14 9  o 39.83138 17.46634 -12.67617      63.70873 -80.02329      148.8274 2.433645       70.49414 55.31622 25.26451 44.25854 18.88331 11.05769       31.54164 
1 1 1 4   -14 10 o 169.5564 10.00841 696.2533       80.77026 739.2743       130.3257 669.4239       102.9191 173.0645 15.92980 165.4762 13.11646 7.588242       20.63493 
1 1 1 4   -14 11 o 65.99933 14.18206 110.1305       43.41558 159.2200       84.66202 92.61512       50.57133 78.52129 21.78718 60.48297 16.85994 18.03831       27.54885 
1 1 1 4   -14 12 o 180.7786 10.55851 793.1125       90.85808 812.2194       170.4840 785.5329       107.3780 179.4704 20.22083 179.3413 12.60378 0.1291809      23.82724 
1 1 1 4   -14 13 o 36.09813 14.62847 14.20505       39.28116 -138.9517      98.04253 43.49155       42.87263 37.98112 18.28428 44.86846 15.93095 -6.887337      24.25098 
1 1 1 4   -14 14 o 191.9048 12.22838 899.8210       111.6087 834.9901       195.3297 931.2473       135.9951 179.8671 23.25875 194.2975 14.75044 -14.43042      27.54170 
1 1 1 4   -14 15 o 186.9992 10.97863 851.6254       97.71960 795.0605       182.2966 874.4328       115.7557 175.7826 22.18489 188.8397 12.89901 -13.05705      25.66230 
1 1 1 4   -14 16 o 126.8081 14.27387 399.4261       85.03471 433.1051       165.1341 387.2730       99.19775 126.0280 28.12148 123.8014 17.22569 2.226654       32.97790 
1 1 1 4   -14 17 o 190.7728 13.65172 897.0544       123.6892 782.1581       278.0329 925.4046       138.1086 163.9351 36.42081 193.1474 15.07562 -29.21225      39.41764 
1 1 1 4   -14 18 o 213.8673 12.45902 1123.550       126.8387 1043.935       206.1345 1172.061       160.9062 200.6733 21.83768 216.8061 15.62850 -16.13280      26.85394 
1 1 1 4   -14 19 o 72.09491 17.53844 135.9860       59.86485 177.1532       146.9426 127.7934       65.55153 82.32105 29.46469 69.68749 19.10723 12.63356       35.11773 
1 1 1 4   -14 20 o 152.2657 14.42742 581.8068       103.7737 344.4975       177.1044 705.8823       128.0604 107.4188 32.05685 166.8065 16.26442 -59.38774      35.94681 
1 1 1 4   -14 21 o 52.59692 22.86419 5.877048       107.1350 6.754225       274.8864 5.719942       116.3343 76.69761 34.75774 54.46357 23.74849 22.23404       42.09622 
1 1 1 4   -14 22 o 50.36713 22.55539 -20.63509      111.8906 415.3377       300.6025 -90.75335      120.5531 108.5469 41.51827 46.11174 21.63153 62.43520       46.81549 
1 1 1 4   -14 23 o 64.62260 21.53636 111.3788       77.94564 138.9375       339.8901 109.8491       80.07980 85.78864 38.78592 64.38876 21.83193 21.39988       44.50821 
1 1 1 4   -13 0  o 52.46695 19.26310 55.23584       63.33443 55.23584       63.33443 0.000000       0.000000 52.46695 19.26310 ?        ?        0.000000       19.26310 
1 1 1 4   -13 1  o 179.0201 10.23287 774.8480       87.21568 774.8480       87.21568 0.000000       0.000000 179.0201 10.23287 ?        ?        0.000000       10.23287 
1 1 1 4   -13 2  o 126.9114 12.54317 393.4106       75.11140 393.4106       75.11140 0.000000       0.000000 126.9114 12.54317 ?        ?        0.000000       12.54317 
1 1 1 4   -13 3  o 256.0800 9.809031 1581.694       119.8689 1581.694       119.8689 0.000000       0.000000 256.0800 9.809031 ?        ?        0.000000       9.809031 
1 1 1 4   -13 4  o 154.8115 9.090144 578.5889       66.98338 499.6210       92.00647 667.6473       97.70804 142.9072 13.63149 165.6671 12.42689 -22.75984      18.44574 
1 1 1 4   -13 5  o 313.4760 6.896743 2357.891       103.3610 2277.490       134.5000 2473.862       161.5344 307.5104 9.158797 320.1121 10.56940 -12.60165      13.98556 
1 1 1 4   -13 6  o 105.6606 11.10208 272.3978       55.24548 343.8181       83.96128 217.8681       73.36436 117.9053 15.25189 92.99603 17.13215 24.90923       22.93754 
1 1 1 4   -13 7  o 111.0816 11.42865 301.1882       59.82895 305.2049       89.04134 297.8821       80.78215 110.3659 17.45502 109.4229 15.90740 0.9430389      23.61616 
1 1 1 4   -13 8  f 260.2358 9.515707 1633.440       118.1910 1748.778       214.9051 1583.427       141.5148 266.7481 16.93894 255.6585 11.60828 11.08968       20.53484 
1 1 1 4   -13 9  o 335.6116 8.412297 2710.780       134.8707 2863.050       217.0596 2615.021       172.1320 343.2133 13.25328 328.8508 10.96382 14.36249       17.20043 
1 1 1 4   -13 10 o 208.0121 9.275340 1044.276       92.00958 1069.070       155.5286 1030.926       114.1222 208.6430 15.70720 206.1152 11.62832 2.527771       19.54313 
1 1 1 4   -13 11 o 175.4924 10.25045 745.7031       85.62777 880.7018       131.7447 646.9629       112.6718 189.5666 14.65020 162.3040 14.67889 27.26260       20.73881 
1 1 1 4   -13 12 o 156.7095 10.55124 595.6554       78.59025 595.1731       129.7957 595.9345       98.74989 154.5926 17.89145 156.0711 13.36291 -1.478531      22.33095 
1 1 1 4   -13 13 o 419.0606 10.99415 4247.530       220.0755 4383.154       259.2156 3897.376       416.5072 424.8361 12.77689 394.3914 22.17890 30.44467       25.59595 
1 1 1 4   -13 14 o 333.9555 9.664830 2691.897       154.1466 3089.335       317.7576 2569.584       176.2775 353.0839 18.89269 325.6829 11.33852 27.40103       22.03397 
1 1 1 4   -13 15 o 195.5661 12.64555 932.7301       117.5994 1067.279       241.2072 890.7750       134.6921 203.5366 25.33475 190.3605 14.91895 13.17612       29.40110 
1 1 1 4   -13 16 o 122.3052 12.85075 367.9498       74.02069 415.3236       157.9380 354.6151       83.79318 124.6640 27.26076 119.4376 15.00468 5.226479       31.11735 
1 1 1 4   -13 17 o 108.7909 14.28046 294.3822       72.48347 110.8068       162.9969 339.6329       80.92532 76.71751 30.22613 116.8094 14.82443 -40.09186      33.66575 
1 1 1 4   -13 18 o 100.3300 22.01866 264.1895       102.7110 232.8362       225.6398 272.3841       115.3551 96.65063 36.19477 101.1766 24.17830 -4.525925      43.52760 
1 1 1 4   -13 19 o 346.2959 12.74425 2932.826       210.6341 3288.272       295.1615 2563.967       300.6784 363.5261 17.03039 318.6765 19.83362 44.84961       26.14205 
1 1 1 4   -13 20 o 68.60458 19.59914 122.0261       67.48064 334.8896       151.1834 69.06676       75.40926 110.0275 28.51099 56.96375 21.00133 53.06371       35.41091 
1 1 1 4   -13 21 o 76.70523 20.02553 155.5239       74.21414 6.517448       173.2440 189.0135       82.13172 65.60338 28.78402 84.40427 20.54895 -18.80090      35.36636 
1 1 1 4   -13 22 o 105.1127 21.97979 297.0658       106.8967 315.1249       184.4667 287.9352       131.1650 102.9990 33.05988 101.1452 26.72721 1.853813       42.51234 
1 1 1 4   -13 23 o 162.4190 15.69429 668.3103       120.3509 658.2805       208.5688 673.3170       147.3586 150.7709 29.99075 160.5841 19.59959 -9.813263      35.82721 
1 1 1 4   -13 24 o 143.7907 18.93061 542.0685       126.9798 293.8656       225.6275 657.1216       153.6164 97.24064 36.23826 156.9879 20.99314 -59.74726      41.87987 
1 1 1 4   -13 25 o 63.89371 27.73272 42.89060       157.1219 -276.2379      228.4884 329.1736       216.4109 54.88231 26.76661 99.29091 35.73087 -44.40860      44.64466 
1 1 1 4   -13 26 o 103.9725 25.52364 318.8819       125.9199 81.59044       239.7366 409.2866       147.9752 74.52026 33.21801 116.9359 27.01255 -42.41559      42.81488 
1 1 1 4   -12 0  o 93.15839 24.40554 223.7770       109.9780 223.7770       109.9780 0.000000       0.000000 93.15839 24.40554 ?        ?        0.000000       24.40554 
1 1 1 4   -12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -12 3  o 69.46182 12.14308 119.8036       38.85845 141.0436       57.51451 101.9654       52.70784 74.69920 16.54148 63.58110 17.00799 11.11810       23.72536 
1 1 1 4   -12 4  o 122.9686 9.686471 366.0155       56.48716 334.9889       74.45918 408.0828       86.70078 116.8833 13.57704 128.9948 14.29846 -12.11144      19.71756 
1 1 1 4   -12 5  o 220.3530 10.43937 1172.051       109.6642 1026.050       143.7689 1375.198       169.5864 205.1234 14.75891 237.5452 15.00938 -32.42181      21.05011 
1 1 1 4   -12 6  o 242.1519 9.198810 1412.002       106.3010 1392.572       187.6501 1421.184       128.9949 238.5416 16.55693 242.5245 11.15509 -3.982925      19.96417 
1 1 1 4   -12 7  f 123.3485 11.14737 369.8156       65.02895 402.5592       94.76163 340.6713       89.40186 127.7100 15.86102 117.1969 16.40462 10.51309       22.81849 
1 1 1 4   -12 8  o 114.4807 10.87776 318.7467       58.82153 355.4536       101.3217 300.0864       72.24191 119.2080 18.36728 110.4168 13.99924 8.791237       23.09406 
1 1 1 4   -12 9  o 82.78256 12.32363 169.1557       47.28895 317.8222       93.15024 117.5381       54.88786 112.6862 17.88733 68.08114 16.93351 44.60511       24.63129 
1 1 1 4   -12 10 o 243.2414 9.388614 1425.900       108.9760 1493.925       193.8445 1394.466       131.7706 246.9241 16.51528 240.0503 11.51533 6.873779       20.13348 
1 1 1 4   -12 11 o 113.6680 12.19208 315.9072       65.22174 277.7444       101.4159 342.8234       85.17115 104.2645 21.07091 117.6932 15.51421 -13.42863      26.16627 
1 1 1 4   -12 12 f 118.5789 12.32767 343.8236       68.86819 495.3396       153.7513 305.7949       77.02741 138.9897 24.00577 111.1710 14.86475 27.81875       28.23540 
1 1 1 4   -12 13 o 49.23815 18.28264 47.05700       57.32994 124.8907       92.00072 -2.353355      73.30209 71.54350 23.37847 44.44633 19.11518 27.09716       30.19839 
1 1 1 4   -12 14 o 49.67609 16.99829 55.95966       48.56234 103.2037       182.9104 52.37692       50.37005 79.56987 31.80243 49.04672 17.28138 30.52315       36.19449 
1 1 1 4   -12 15 o 123.0091 14.46728 373.3009       83.45615 498.4459       146.6957 313.4147       101.4785 139.6179 22.76034 111.0344 19.84489 28.58344       30.19690 
1 1 1 4   -12 16 o 179.3344 13.51500 785.7433       115.0218 926.4823       246.4947 746.5682       130.0486 188.5503 28.21029 174.0934 15.79661 14.45689       32.33192 
1 1 1 4   -12 17 o 162.4489 12.08486 642.9103       93.18466 713.3000       157.1290 604.7238       115.7331 168.5915 19.87610 156.5168 15.67715 12.07463       25.31467 
1 1 1 4   -12 18 o 120.3778 13.72938 357.3621       77.60337 501.8040       146.3443 300.8564       91.53252 139.7418 22.68189 109.0316 18.20077 30.71016       29.08155 
1 1 1 4   -12 19 o 103.3415 16.93642 269.8510       80.78069 260.8723       232.0440 271.0892       86.17089 101.0887 36.91055 103.2047 18.12536 -2.116028      41.12077 
1 1 1 4   -12 20 o 73.70198 25.18514 133.2554       106.5972 256.4074       252.8154 106.6274       117.5580 101.1487 38.21904 70.23969 26.16116 30.90902       46.31524 
1 1 1 4   -12 21 o 249.2847 11.79870 1515.905       140.2180 1600.907       250.6981 1477.208       169.1497 250.8056 21.10323 244.8196 14.51680 5.986038       25.61413 
1 1 1 4   -12 22 o 75.79971 20.49996 150.4294       76.06427 292.2856       176.5764 118.1082       84.28543 102.3400 32.28790 68.51256 22.37601 33.82746       39.28352 
1 1 1 4   -12 23 o 43.00523 18.52589 0.5145048      69.06959 -165.5150      175.4701 30.95598       75.13520 53.61915 25.43721 49.52937 20.17224 4.089779       32.46492 
1 1 1 4   -12 24 o 168.7669 15.84238 718.7267       126.3305 710.9304       193.2330 724.5464       166.9512 161.1233 25.96752 165.8836 21.56092 -4.760254      33.75182 
1 1 1 4   -12 25 o 96.88508 20.88346 252.4936       93.87857 294.8176       172.4379 234.6647       111.9183 99.39728 31.96958 91.60095 24.90576 7.796326       40.52592 
1 1 1 4   -12 26 o 58.99157 25.65106 19.59795       134.9213 -76.50164      229.7135 70.20973       166.7061 65.66147 30.48785 68.81016 29.18676 -3.148689      42.20636 
1 1 1 4   -12 27 o 80.64989 24.40311 186.4673       102.1091 263.7114       247.9601 170.6938       112.0507 91.42532 36.85935 77.34145 25.82269 14.08387       45.00470 
1 1 1 4   -11 0  o 524.7344 8.075763 6605.961       202.5963 6605.961       202.5963 0.000000       0.000000 524.7344 8.075763 ?        ?        0.000000       8.075763 
1 1 1 4   -11 1  o 79.68763 13.08493 157.1415       48.12192 157.1415       48.12192 0.000000       0.000000 79.68763 13.08493 ?        ?        0.000000       13.08493 
1 1 1 4   -11 2  o 193.9940 10.73157 908.1539       99.14349 908.1539       99.14349 0.000000       0.000000 193.9940 10.73157 ?        ?        0.000000       10.73157 
1 1 1 4   -11 3  o 127.3270 8.787086 391.0763       53.16211 449.0729       74.43848 330.7014       75.94943 136.0672 11.55198 116.1706 13.95373 19.89664       18.11505 
1 1 1 4   -11 4  o 154.8974 9.155350 578.3219       67.49724 590.8643       107.4609 570.1495       86.74345 155.5953 14.61713 153.3535 11.92503 2.241821       18.86443 
1 1 1 4   -11 5  o 264.2884 11.50638 1685.971       145.0385 1747.141       207.7842 1627.846       202.5468 267.7612 16.30876 258.3717 16.48325 9.389526       23.18778 
1 1 1 4   -11 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -11 7  o 58.04513 15.04347 84.72201       42.08505 48.46573       119.0170 89.90321       44.99176 63.07949 25.49898 59.77495 15.58563 3.304539       29.88494 
1 1 1 4   -11 8  o 381.0123 10.50359 3497.575       191.1484 3599.546       226.9451 3248.630       354.5955 385.9680 12.31452 363.2098 20.50381 22.75815       23.91764 
1 1 1 4   -11 9  o 231.1860 9.140357 1286.625       100.8269 1352.067       170.9134 1251.693       124.8700 235.5547 15.25876 227.5523 11.51549 8.002335       19.11638 
1 1 1 4   -11 10 o 316.0452 8.402801 2400.691       126.8516 2254.047       196.9062 2504.730       165.8545 304.9093 13.54145 322.2658 10.77994 -17.35651      17.30832 
1 1 1 4   -11 11 o 136.9503 11.92394 456.0161       77.29372 425.0473       147.1048 467.8265       90.84455 128.7182 24.80386 138.3090 13.92799 -9.590759      28.44680 
1 1 1 4   -11 12 o 280.9108 12.54847 1911.084       168.1008 1834.531       244.5557 1979.650       231.4465 273.0012 18.85299 284.3542 17.10389 -11.35303      25.45542 
1 1 1 4   -11 13 o 245.0792 10.03422 1448.812       117.3219 1376.439       203.0109 1485.103       143.7591 236.4830 18.09346 247.6120 12.18121 -11.12895      21.81181 
1 1 1 4   -11 14 o 267.4027 12.50813 1733.242       159.4636 1812.986       242.9601 1672.892       211.3589 271.1501 18.85958 261.1623 17.02058 9.987854       25.40441 
1 1 1 4   -11 15 f 224.3372 12.04069 1220.467       128.6670 1308.870       203.3400 1161.434       166.1631 230.1051 18.64322 217.6097 16.08529 12.49539       24.62328 
1 1 1 4   -11 16 o 239.6137 11.19764 1390.025       127.9216 1773.294       243.7492 1244.338       150.2802 267.5877 19.18046 225.8727 13.98509 41.71503       23.73758 
1 1 1 4   -11 17 o 151.9591 13.40373 564.8825       96.38078 679.5132       152.1711 488.0922       124.5474 164.7466 19.71073 139.4678 19.18688 25.27875       27.50725 
1 1 1 4   -11 18 o 332.9402 10.54220 2678.950       167.5939 3048.941       328.6774 2548.952       194.8243 350.5630 19.68994 323.9963 12.60154 26.56671       23.37718 
1 1 1 4   -11 19 o 255.7556 11.61363 1586.221       141.6338 1494.715       266.2863 1622.322       167.2544 243.1553 23.18680 257.9745 13.60916 -14.81921      26.88563 
1 1 1 4   -11 20 o 77.99454 26.56053 148.0013       118.5400 309.5953       260.0823 105.6309       133.1771 109.2652 39.18898 72.76071 27.68216 36.50444       47.97998 
1 1 1 4   -11 21 o 142.1291 15.23023 500.7166       101.8780 497.3120       183.0932 502.2435       122.6121 135.7703 29.08299 141.1380 18.62525 -5.367722      34.53578 
1 1 1 4   -11 22 o 216.1030 13.41690 1144.968       137.9348 1294.392       225.7769 1055.984       174.2302 225.7775 21.16326 205.5030 17.91242 20.27448       27.72613 
1 1 1 4   -11 23 o 340.2451 11.93052 2822.446       193.7702 2853.170       348.9252 2808.746       233.0014 334.4580 21.94258 337.8793 14.45752 -3.421295      26.27730 
1 1 1 4   -11 24 o 215.0453 13.57725 1138.542       138.8761 1203.169       217.8297 1094.285       180.2617 216.6238 21.30859 208.3781 18.27932 8.245682       28.07471 
1 1 1 4   -11 25 o 207.0714 14.85572 1067.853       146.0920 916.0063       216.5850 1194.616       197.8892 185.0237 25.13383 216.1359 19.35547 -31.11220      31.72292 
1 1 1 4   -11 26 o 175.6793 14.93254 774.8538       124.2315 789.4846       205.7117 766.4547       155.8637 169.4271 26.24413 172.0481 19.28027 -2.620956      32.56506 
1 1 1 4   -11 27 o 124.6538 27.04825 441.4562       156.5544 756.0281       339.9857 356.8071       176.3648 144.2242 44.69951 108.5937 31.88417 35.63050       54.90580 
1 1 1 4   -11 28 o 88.62791 23.61126 221.6151       101.8383 585.0267       357.2325 189.4688       106.2471 120.5450 45.45697 81.70164 24.92788 38.84332       51.84338 
1 1 1 4   -11 29 o 119.8406 21.76334 398.4493       120.1006 207.9315       623.9605 405.7794       122.3892 94.93439 45.80809 120.7787 22.00606 -25.84427      50.81976 
1 1 1 4   -10 0  o 510.3305 9.834245 6251.284       239.9390 6251.284       239.9390 0.000000       0.000000 510.3305 9.834245 ?        ?        0.000000       9.834245 
1 1 1 4   -10 1  o 232.9975 8.714470 1303.733       96.90244 1303.733       96.90244 0.000000       0.000000 232.9975 8.714470 ?        ?        0.000000       8.714470 
1 1 1 4   -10 2  o 152.7799 9.813609 562.5654       71.30181 562.5654       71.30181 0.000000       0.000000 152.7799 9.813609 ?        ?        0.000000       9.813609 
1 1 1 4   -10 3  o 405.3507 8.519416 3940.215       165.1008 4016.044       181.9619 3586.996       392.7197 409.1078 9.303241 382.9280 21.53829 26.17975       23.46163 
1 1 1 4   -10 4  o 608.3469 10.52536 8890.688       306.1235 8896.646       327.5186 8849.503       861.1000 608.3330 11.26124 595.5844 30.34138 12.74860       32.36378 
1 1 1 4   -10 5  o 287.8136 12.11725 1997.025       166.3608 2000.744       237.5431 1993.445       233.0604 286.8029 17.40604 286.3628 17.10119 0.4401245      24.40125 
1 1 1 4   -10 6  o 327.6630 7.831459 2573.969       122.6813 2548.065       184.8124 2594.376       164.0352 325.1744 11.90804 328.4198 10.46053 -3.245392      15.85005 
1 1 1 4   -10 7  o 129.9550 10.21384 408.2671       62.94894 520.0809       102.6019 340.7732       79.71503 145.9605 14.91253 117.9348 14.43890 28.02573       20.75730 
1 1 1 4   -10 8  o 313.9935 8.257055 2366.826       123.8446 2531.016       198.6399 2262.422       158.3989 323.7434 12.85944 306.5150 10.82616 17.22836       16.80984 
1 1 1 4   -10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -10 10 f 214.1699 10.37602 1105.878       105.9262 1232.483       154.8264 994.4692       145.2374 225.2526 14.45322 202.0762 15.14347 23.17647       20.93371 
1 1 1 4   -10 11 o 266.9496 10.92907 1718.753       139.1879 1772.577       188.9281 1654.862       205.8404 270.1479 14.68325 260.4148 16.61992 9.733124       22.17701 
1 1 1 4   -10 12 o 314.7803 9.050151 2382.937       136.0569 2597.086       215.7197 2241.477       175.3272 327.3422 13.81520 304.5709 12.06459 22.77124       18.34159 
1 1 1 4   -10 13 o 90.09229 26.94349 206.5849       125.0086 206.5849       125.0086 0.000000       0.000000 90.09229 26.94349 ?        ?        0.000000       26.94349 
1 1 1 4   -10 14 o 217.3885 11.77246 1143.471       121.8959 1272.639       241.0206 1099.077       141.2989 225.8570 22.62523 212.5864 13.98015 13.27057       26.59597 
1 1 1 4   -10 15 o 246.6250 12.23828 1472.822       143.8490 1627.174       223.7781 1364.125       187.7882 257.2695 18.31343 235.9994 16.75258 21.27013       24.81996 
1 1 1 4   -10 16 o 275.0258 12.28459 1831.758       161.1183 2008.662       239.7282 1686.020       217.5888 286.1170 17.61070 262.1027 17.46390 24.01425       24.80171 
1 1 1 4   -10 17 o 133.4641 15.95913 439.9953       99.81538 444.5407       144.0959 435.8023       138.3971 131.7381 23.75234 130.6646 22.99372 1.073593       33.05882 
1 1 1 4   -10 18 o 194.1658 13.41944 918.7843       123.8043 798.3168       181.9147 1022.720       168.9722 178.1055 21.81918 203.5729 17.53212 -25.46738      27.99021 
1 1 1 4   -10 19 o 108.1583 19.42343 296.7369       96.74601 323.1871       248.0821 291.9928       105.0645 111.3391 38.40816 106.7076 21.34066 4.631592       43.93872 
1 1 1 4   -10 20 o 290.0904 13.84927 2050.724       191.5193 2074.364       293.0449 2033.098       253.0366 287.9872 21.43774 286.6803 18.56171 1.306915       28.35690 
1 1 1 4   -10 21 o 162.4226 14.52669 647.6613       111.6136 492.4263       189.4518 730.1834       138.1303 135.7449 29.99255 171.7175 17.05040 -35.97258      34.50027 
1 1 1 4   -10 22 o 68.23429 24.63115 102.9905       102.9352 93.87223       141.3851 113.2751       150.1552 72.24507 28.24439 76.08691 29.28219 -3.841835      40.68405 
1 1 1 4   -10 23 o 116.7972 16.36884 341.9305       88.89687 215.9786       158.6533 399.5714       107.3277 91.35776 30.72991 125.7076 18.40343 -34.34989      35.81918 
1 1 1 4   -10 24 o 155.4098 16.51074 602.8520       120.7991 587.6108       179.8647 615.3756       163.0430 148.8712 26.22912 154.2102 22.80118 -5.338989      34.75429 
1 1 1 4   -10 25 f 208.8823 13.17111 1071.168       130.8626 1415.270       215.4610 870.0393       164.7260 236.8803 19.18946 185.6060 18.82362 51.27435       26.88055 
1 1 1 4   -10 26 f 81.85548 26.87460 175.9598       121.5115 309.8686       183.1964 70.76803       162.3691 104.5409 32.87485 70.94873 29.35558 33.59214       44.07387 
1 1 1 4   -10 27 o 122.9718 18.23503 389.7269       103.9633 526.2286       204.0876 341.8929       120.8135 134.1762 32.22166 112.6124 23.21189 21.56381       39.71181 
1 1 1 4   -10 28 f 126.9466 21.00063 428.3288       123.0039 231.9599       594.9200 437.0982       125.7204 105.6696 49.06424 128.1020 21.27365 -22.43240      53.47773 
1 1 1 4   -10 29 o 107.4250 31.60492 352.3848       173.1405 645.6731       631.3592 328.5345       180.0428 118.6516 53.32120 103.2112 32.60857 15.44046       62.50175 
1 1 1 4   -10 30 o 111.0838 23.62461 349.1075       121.6020 -258.2085      530.3813 382.8029       124.9299 81.40802 39.92978 116.7847 23.19348 -35.37672      46.17710 
1 1 1 4   -9  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -9  18 o 301.6482 14.10076 2211.228       202.7907 0.000000       0.000000 2211.228       202.7907 ?        ?        301.6482 14.10076 0.000000       14.10076 
1 1 1 4   -9  19 o 226.2043 12.67697 1242.016       136.5475 1411.984       216.9125 1130.452       175.7375 238.9883 19.14450 214.3604 17.29463 24.62796       25.79954 
1 1 1 4   -9  20 o 89.28316 19.77104 203.9337       82.16494 149.8141       159.9349 223.3391       95.76937 82.88583 30.58017 93.06232 21.89345 -10.17649      37.60944 
1 1 1 4   -9  21 o 116.4565 20.18781 344.3188       108.3273 302.8031       152.2940 386.8350       154.1181 106.8123 29.05769 121.1825 27.26314 -14.37016      39.84505 
1 1 1 4   -9  22 o 138.7164 17.67067 479.8338       114.5330 437.7836       162.2712 521.5775       161.6788 128.9995 27.17102 142.1252 24.68976 -13.12572      36.71305 
1 1 1 4   -9  23 o 128.8727 16.08498 412.3960       96.95200 379.8978       163.7579 429.9349       120.3020 119.2545 29.00495 130.3852 19.93099 -11.13069      35.19278 
1 1 1 4   -9  24 o 241.0936 14.45068 1424.286       165.8000 1452.525       239.2791 1398.205       229.9521 240.2552 21.04390 235.9399 20.59192 4.315323       29.44271 
1 1 1 4   -9  25 o 175.2091 16.57673 763.8010       137.2046 647.0598       211.0041 849.3212       180.5980 154.7438 29.59949 182.7291 21.05730 -27.98529      36.32547 
1 1 1 4   -9  26 f 79.00572 26.44621 158.5623       117.5166 43.70234       186.3922 234.3428       151.3988 72.24944 30.76179 93.42667 29.94679 -21.17723      42.93132 
1 1 1 4   -9  27 o 140.8377 25.31885 528.2576       164.2126 518.1243       210.3989 544.0510       262.6652 135.0027 32.90282 134.6622 38.73038 0.3405457      50.81966 
1 1 1 4   -9  28 o 100.5941 26.67240 280.0291       130.3445 558.0212       213.8047 115.5953       164.4359 138.6991 32.76751 75.87709 30.21095 62.82196       44.56917 
1 1 1 4   -9  29 o 98.21782 25.71603 270.1386       122.1525 3.071411       504.3254 286.7827       125.9013 94.49771 44.30246 101.1181 25.92373 -6.620369      51.32979 
1 1 1 4   -9  30 f 102.6498 24.78257 295.6194       120.2308 -91.40073      317.3714 360.4693       129.9139 75.25805 35.23808 113.7377 24.60766 -38.47964      42.97975 
1 1 1 4   -9  31 o 97.69056 28.89374 288.7656       144.3914 227.2755       203.1833 351.5025       205.2328 87.54854 33.96315 103.1898 34.95087 -15.64127      48.73458 
1 1 1 4   -9  32 o 74.72446 28.88181 153.8092       146.5294 93.73183       204.0952 217.7169       210.5009 72.35069 31.50322 84.44822 33.99121 -12.09753      46.34496 
1 1 1 4   -8  0  o 133.0490 8.804447 425.8653       55.68937 425.8653       55.68937 0.000000       0.000000 133.0490 8.804447 ?        ?        0.000000       8.804447 
1 1 1 4   -8  1  o 158.6600 8.358210 604.5153       63.17634 604.5153       63.17634 0.000000       0.000000 158.6600 8.358210 ?        ?        0.000000       8.358210 
1 1 1 4   -8  2  o 176.3760 6.174252 745.2886       51.98306 818.3273       68.33633 644.9804       80.08357 184.7138 7.755529 163.7124 10.28379 21.00136       12.88039 
1 1 1 4   -8  3  o 186.8813 8.018720 837.8126       71.47720 859.6904       122.6398 826.5582       87.96116 188.6824 13.68847 185.4409 9.958017 3.241531       16.92738 
1 1 1 4   -8  4  o 126.2090 8.611680 383.2924       51.65079 419.0099       76.09339 352.7750       70.33633 131.5692 12.23748 120.6078 12.37346 10.96140       17.40283 
1 1 1 4   -8  5  o 114.3562 8.555842 314.9759       46.43775 344.2416       79.99632 300.1017       57.03053 118.8163 14.37459 111.3435 10.85108 7.472778       18.01041 
1 1 1 4   -8  6  o 387.9093 7.428710 3602.581       137.7691 3531.385       200.4737 3666.294       189.6468 383.5544 10.94375 390.9302 10.15561 -7.375793      14.92990 
1 1 1 4   -8  7  o 658.3322 10.14897 10391.42       319.4297 10586.73       341.1199 9000.554       910.3272 664.3704 10.73961 604.0832 31.63066 60.28717       33.40416 
1 1 1 4   -8  8  o 325.4322 8.991514 2539.856       139.7608 2975.523       291.5883 2409.915       159.2450 350.7487 17.44337 316.7991 10.52876 33.94962       20.37464 
1 1 1 4   -8  9  o 153.7016 9.482584 568.5344       69.34160 705.3191       111.2270 481.5742       88.68530 170.6984 13.74539 140.9063 13.32297 29.79218       19.14255 
1 1 1 4   -8  10 o 381.3147 7.654471 3483.027       139.5427 3817.757       210.1562 3219.074       186.6201 398.6158 11.03818 366.0657 10.67469 32.55011       15.35547 
1 1 1 4   -8  11 o 405.1246 8.336213 3933.939       161.4603 4233.129       242.6370 3696.166       216.3037 419.4487 12.11225 392.0372 11.55320 27.41153       16.73867 
1 1 1 4   -8  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -8  13 o 205.0040 12.29093 1015.104       119.9103 943.5444       187.3064 1064.797       156.0880 195.8528 20.29780 209.3086 15.71288 -13.45578      25.66896 
1 1 1 4   -8  14 o 496.8696 11.43208 5940.082       271.5664 6190.420       312.0977 5159.667       551.0486 506.6241 12.89584 456.6837 25.33797 49.94040       28.43089 
1 1 1 4   -8  15 o 194.7471 12.60050 918.2025       116.6890 839.1901       173.8758 982.9488       157.3981 184.3360 20.05250 200.6299 16.55674 -16.29388      26.00440 
1 1 1 4   -8  16 o 82.48569 25.44123 169.5817       110.2925 396.8328       216.9597 90.38915       128.0762 122.6436 35.17669 70.80150 27.09564 51.84206       44.40240 
1 1 1 4   -8  17 f 133.5824 17.03747 440.9827       106.3355 412.3126       157.2153 465.1582       144.3672 126.3008 26.86332 135.5177 23.11081 -9.216919      35.43653 
1 1 1 4   -8  18 o 34.10350 16.75933 -191.3884      94.85165 -282.2757      137.0032 -107.7197      131.4500 40.53285 19.96249 49.57766 23.03456 -9.044815      30.48101 
1 1 1 4   -8  19 o 304.1074 12.68790 2239.104       184.0645 2361.657       301.5949 2166.362       232.3555 309.2223 20.51672 297.8617 16.37967 11.36060       26.25318 
1 1 1 4   -8  20 o 67.18484 23.67593 100.7232       94.54577 138.0019       133.9249 63.68512       133.4919 78.55616 28.12787 67.60881 27.11872 10.94735       39.07175 
1 1 1 4   -8  21 o 181.1402 20.28283 818.7383       172.6390 935.8065       242.8477 699.1282       245.4701 190.7039 27.42341 161.9127 32.83566 28.79117       42.78112 
1 1 1 4   -8  22 o 146.8910 20.31833 542.7397       138.8726 466.4787       241.1505 580.5790       169.8669 130.1599 37.00640 150.4357 24.45768 -20.27579      44.35822 
1 1 1 4   -8  23 o 238.4659 17.36531 1402.789       196.6213 1069.493       278.9032 1732.105       277.2333 202.0209 29.76801 262.5820 22.29428 -60.56108      37.19098 
1 1 1 4   -8  24 o 105.1224 28.01354 293.0085       143.3281 297.0792       284.0453 291.6180       166.0129 109.7471 40.70545 104.6669 30.98787 5.080246       51.15840 
1 1 1 4   -8  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -8  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -8  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -8  29 o 115.9725 32.02061 386.4092       183.3713 424.3251       252.9289 344.3989       266.2349 118.2119 38.77120 108.6343 39.55619 9.577530       55.38861 
1 1 1 4   -8  30 o 147.2002 28.59723 611.5391       193.9980 748.6684       327.2974 537.2691       240.8706 148.1351 43.41902 130.9269 36.90366 17.20821       56.98325 
1 1 1 4   -8  31 o 67.84560 26.32416 102.0849       122.0780 24.04591       192.9750 154.1534       157.6278 68.42365 30.18679 78.34779 30.04044 -9.924141      42.58721 
1 1 1 4   -8  32 o 118.2802 24.81568 396.4583       135.8444 445.6205       213.2889 362.9052       176.2053 116.2060 35.29187 107.5524 31.94584 8.653572       47.60307 
1 1 1 4   -8  33 o 67.63769 27.69986 100.8263       142.6358 192.7755       267.2950 64.21883       168.6560 84.06039 36.32923 66.39286 28.77545 17.66753       46.34479 
1 1 1 4   -7  0  o 139.1830 7.396665 464.9788       49.04202 464.9788       49.04202 0.000000       0.000000 139.1830 7.396665 ?        ?        0.000000       7.396665 
1 1 1 4   -7  1  o 469.2769 7.356761 5270.991       165.0533 5270.991       165.0533 0.000000       0.000000 469.2769 7.356761 ?        ?        0.000000       7.356761 
1 1 1 4   -7  2  o 589.8282 6.203262 8323.859       174.9259 8310.266       215.0993 8350.405       300.5917 589.2083 7.635930 590.2449 10.65213 -1.036682      13.10630 
1 1 1 4   -7  3  o 291.3941 8.445156 2034.874       117.5272 2075.015       137.1781 1924.101       227.8838 294.1319 9.768706 282.2477 16.96619 11.88422       19.57752 
1 1 1 4   -7  4  o 278.6257 7.003101 1859.102       93.21279 1948.893       135.2871 1777.953       128.6116 285.0229 9.943383 272.2249 9.898464 12.79797       14.03034 
1 1 1 4   -7  5  o 905.3887 12.23233 19666.02       529.4836 0.000000       0.000000 19666.02       529.4836 ?        ?        905.3887 12.23233 0.000000       12.23233 
1 1 1 4   -7  6  o 858.7419 11.45580 17684.69       470.3234 17745.22       491.3762 17023.38       1624.187 860.0890 11.94985 825.9368 41.26276 34.15222       42.95829 
1 1 1 4   -7  7  o 619.0887 7.738759 9175.622       229.0512 9489.568       328.5995 8878.916       319.4489 629.1229 10.92504 608.5352 10.98013 20.58771       15.48934 
1 1 1 4   -7  8  o 326.9959 12.66930 2570.401       197.6883 2755.009       281.4978 2390.756       277.6881 337.7128 17.49452 314.3210 18.56152 23.39188       25.50663 
1 1 1 4   -7  9  o 320.0217 7.559199 2451.892       115.6548 2585.687       172.0528 2341.598       156.2132 328.1772 10.98138 312.3476 10.47578 15.82965       15.17671 
1 1 1 4   -7  10 f 515.2136 9.982169 6363.055       245.8785 6481.784       269.8338 5782.038       596.9149 519.8655 10.85668 486.6659 25.74667 33.19955       27.94206 
1 1 1 4   -7  11 o 367.3553 9.849938 3237.592       172.8367 3273.069       200.2362 3133.914       342.3029 369.1447 11.35938 359.3938 20.00083 9.750946       23.00149 
1 1 1 4   -7  12 o 111.8042 10.41181 302.4434       55.01380 315.6765       84.82232 292.8351       72.27730 113.3323 16.10790 109.4315 14.14561 3.900787       21.43742 
1 1 1 4   -7  13 o 186.9275 11.69326 842.6746       103.9768 758.4592       154.0422 913.1560       140.9229 176.0781 18.57870 194.0298 15.31576 -17.95166      24.07781 
1 1 1 4   -7  14 o 168.8188 13.12867 690.0594       105.1295 763.7584       190.9607 658.0084       125.9313 175.3918 23.35312 164.2633 16.24822 11.12854       28.44948 
1 1 1 4   -7  15 o 79.37743 18.79915 159.0042       70.23466 341.6986       124.7124 74.14632       84.99499 116.2242 23.25673 60.99204 22.32801 55.23219       32.23997 
1 1 1 4   -7  16 o 608.1010 21.27512 9046.966       617.5706 9491.109       877.8191 8611.701       869.0011 616.0629 29.89302 585.6625 31.14793 30.40039       43.17159 
1 1 1 4   -7  17 o 231.0518 13.75233 1293.735       151.2254 1045.924       240.2799 1456.281       194.6012 204.3097 25.12782 244.4060 16.75562 -40.09633      30.20196 
1 1 1 4   -7  18 o 323.8170 14.02890 2540.714       216.6707 2404.269       312.5013 2667.029       300.6778 312.3659 21.04859 329.8959 19.14636 -17.53000      28.45393 
1 1 1 4   -7  19 o 428.6540 11.49600 4432.583       235.3801 4705.958       486.4077 4348.991       268.9705 435.5275 23.44663 423.9435 13.28694 11.58405       26.94971 
1 1 1 4   -7  20 o 133.2972 15.21370 436.6239       95.21976 587.9257       149.2770 332.8301       123.6393 153.3162 20.90993 113.9911 23.46934 39.32516       31.43303 
1 1 1 4   -7  21 o 150.0547 14.23742 550.6769       100.9165 710.1455       159.2441 443.6522       130.4571 168.8565 20.12129 132.6067 21.29852 36.24983       29.30006 
1 1 1 4   -7  22 o 263.9192 13.22001 1691.013       166.2746 1920.435       252.8971 1516.324       220.6778 279.0404 19.07161 247.9390 18.75592 31.10133       26.74903 
1 1 1 4   -7  23 o 263.1848 13.24902 1683.701       166.1704 1858.404       264.2398 1569.415       213.7195 273.5291 20.35213 252.3757 17.82757 21.15346       27.05607 
1 1 1 4   -7  24 o 217.0604 13.87360 1149.796       143.2183 1100.773       224.9967 1183.190       185.6970 208.7311 22.92336 218.7331 17.91431 -10.00198      29.09301 
1 1 1 4   -7  25 o 70.24388 26.97147 93.06156       127.1890 -48.97039      176.5714 246.2346       183.3659 63.52863 28.40019 98.09559 33.03685 -34.56696      43.56609 
1 1 1 4   -7  26 o 62.89525 27.59146 -16.91491      159.1295 -366.3385      304.2930 114.6133       186.6918 67.24264 32.33016 81.05917 32.21786 -13.81653      45.64241 
1 1 1 4   -7  27 o 221.6282 16.21764 1213.742       170.6491 1007.554       335.0576 1285.961       198.2951 188.3531 38.50898 227.1036 18.42134 -38.75047      42.68826 
1 1 1 4   -7  28 o 63.27254 25.44238 60.44427       117.8068 -108.6329      225.5193 123.8974       138.1554 66.80096 30.72856 75.36309 28.30118 -8.562126      41.77560 
1 1 1 4   -7  29 f 45.64796 21.46901 -110.9497      120.0803 -0.6089759E-03 235.1246 -150.0990      139.6683 75.19344 33.24054 47.56194 22.60132 27.63150       40.19643 
1 1 1 4   -7  30 o 157.2572 18.40138 628.8033       135.7340 264.8115       205.1104 912.3999       181.0475 98.13462 34.84522 188.5527 20.40900 -90.41813      40.38214 
1 1 1 4   -7  31 o 64.19668 27.37985 38.69758       148.1053 -413.7253      357.7447 132.2794       162.7034 68.57823 33.45639 76.95589 30.23572 -8.377663      45.09467 
1 1 1 4   -7  32 o 92.48103 29.41851 249.2463       146.3218 -168.7197      246.1464 477.6570       181.9623 63.42554 30.10051 127.0728 30.36671 -63.64723      42.75720 
1 1 1 4   -7  33 o 54.34823 24.93294 -51.27359      147.1015 -346.0158      263.8327 81.68542       177.2011 57.50086 28.19509 70.59536 30.02340 -13.09450      41.18698 
1 1 1 4   -7  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -6  0  o 181.9413 7.093479 793.4088       61.58374 793.4088       61.58374 0.000000       0.000000 181.9413 7.093479 ?        ?        0.000000       7.093479 
1 1 1 4   -6  1  o 174.3495 7.031317 728.6365       58.48898 728.6365       58.48898 0.000000       0.000000 174.3495 7.031317 ?        ?        0.000000       7.031317 
1 1 1 4   -6  2  o 630.0322 10.20030 9510.950       307.2443 9515.236       326.1102 9477.089       916.6142 630.0808 10.82579 622.2502 30.90827 7.830627       32.74933 
1 1 1 4   -6  3  o 347.0080 6.981301 2881.588       115.8202 2929.243       165.5090 2835.856       162.1321 349.5321 9.914373 343.9153 9.870944 5.616852       13.99037 
1 1 1 4   -6  4  o 126.7512 7.543473 385.8888       45.50540 358.1386       68.87514 407.3862       60.62091 121.6215 12.00149 130.0382 9.823519 -8.416733      15.50926 
1 1 1 4   -6  5  o 538.1003 7.476943 6930.235       192.3515 6845.989       274.3214 7011.719       269.7875 534.4651 10.73574 540.9346 10.43203 -6.469421      14.96941 
1 1 1 4   -6  6  o 295.0951 7.154287 2084.026       100.9338 2040.823       146.5257 2123.037       139.2371 291.6364 10.52632 297.5337 9.801746 -5.897339      14.38324 
1 1 1 4   -6  7  o 405.3301 7.334660 3932.154       142.1337 3819.257       204.8487 4036.963       197.3745 399.0442 10.74730 410.4744 10.05765 -11.43018      14.71941 
1 1 1 4   -6  8  o 197.5836 7.775683 935.9680       73.30759 889.0493       110.6011 972.7308       97.90176 192.1471 12.10121 201.2223 10.21005 -9.075180      15.83301 
1 1 1 4   -6  9  o 354.9520 13.97791 3030.406       236.7393 2770.664       335.6664 3287.483       333.9402 338.0730 20.86946 368.7818 19.00457 -30.70883      28.22602 
1 1 1 4   -6  10 o 480.4910 9.687023 5531.587       222.5276 5374.711       555.5916 5561.562       242.8582 470.0054 24.81338 481.6884 10.54577 -11.68295      26.96140 
1 1 1 4   -6  11 f 667.2326 10.44389 10672.02       333.1562 9713.429       1002.524 10791.03       353.2312 627.6436 33.53148 670.8375 11.01370 -43.19391      35.29393 
1 1 1 4   -6  12 o 49.95276 15.92081 58.81165       42.83779 63.28280       92.47550 57.59007       48.33677 60.68370 23.07212 50.51458 16.96171 10.16912       28.63603 
1 1 1 4   -6  13 o 730.5489 10.70455 12800.15       373.8746 10542.83       1143.281 13070.45       395.6271 650.4816 36.91440 738.1040 11.21141 -87.62244      38.57938 
1 1 1 4   -6  14 o 269.6429 10.23173 1746.342       131.6612 1692.072       237.6000 1770.391       158.1648 263.8813 18.95981 271.2207 12.22918 -7.339417      22.56163 
1 1 1 4   -6  15 o 316.0656 13.53077 2408.146       203.9868 2501.479       296.5500 2324.323       281.0365 320.7374 19.43041 309.2187 19.10356 11.51874       27.24861 
1 1 1 4   -6  16 f 105.0489 18.73442 275.2667       90.63786 621.8487       203.1936 189.1753       101.2714 156.6122 28.17367 86.59305 23.75196 70.01920       36.84984 
1 1 1 4   -6  17 o 155.9305 17.55494 596.4169       128.5982 752.2064       207.1674 498.7563       164.0258 173.0802 25.82508 140.4360 25.36327 32.64417       36.19710 
1 1 1 4   -6  18 o 464.0334 11.05244 5179.239       245.1974 4626.634       524.3359 5333.907       277.3970 432.1826 25.48982 470.3941 12.34546 -38.21146      28.32210 
1 1 1 4   -6  19 o 247.5805 12.92144 1483.046       152.4158 1423.565       224.8759 1533.589       207.2932 240.6371 19.71945 250.5662 17.41263 -9.929184      26.30697 
1 1 1 4   -6  20 o 290.7571 12.11504 2042.789       168.0393 1846.196       273.0913 2162.579       213.1734 273.4141 21.05397 298.3348 14.99392 -24.92072      25.84738 
1 1 1 4   -6  21 o 44.95862 19.65438 -14.39775      80.12493 -90.07059      143.3431 19.99114       96.63085 53.80033 24.65581 54.14701 22.54575 -0.3466835     33.40988 
1 1 1 4   -6  22 o 238.6954 12.97844 1381.834       147.5496 1303.967       228.7444 1437.319       193.0905 229.1520 21.11677 242.3047 16.77177 -13.15274      26.96683 
1 1 1 4   -6  23 o 178.9790 15.23117 784.2947       129.0928 510.0538       278.1876 859.5576       145.7343 136.1358 40.06374 187.0658 16.46296 -50.92990      43.31434 
1 1 1 4   -6  24 o 387.3248 13.90970 3646.702       257.1554 3718.265       341.3791 3552.825       390.9947 388.6964 18.42281 377.8166 21.73796 10.87982       28.49454 
1 1 1 4   -6  25 o 78.59207 22.10382 158.4550       86.51157 -79.35148      168.9276 242.9971       100.7222 59.71613 27.13526 96.94164 22.20994 -37.22551      35.06570 
1 1 1 4   -6  26 o 118.2509 22.93449 360.8402       124.9789 356.1478       187.7770 364.5721       167.4570 114.7105 32.66903 116.6138 29.89799 -1.903297      44.28493 
1 1 1 4   -6  27 o 83.77559 27.19751 177.2805       124.6191 271.2173       185.3716 99.81781       168.3339 101.6196 33.18365 76.92537 30.58699 24.69426       45.13002 
1 1 1 4   -6  28 o 314.9278 12.77484 2416.225       191.9431 2391.782       338.7426 2427.784       232.9492 306.7706 23.27016 314.2666 15.55271 -7.496033      27.98905 
1 1 1 4   -6  29 o 78.28782 30.12118 128.1186       158.8532 -229.2368      343.5343 225.3108       179.1577 76.91648 36.21789 93.27631 32.61308 -16.35983      48.73755 
1 1 1 4   -6  30 o 51.39829 23.74333 -86.57677      136.6822 -18.19861      206.2082 -140.1613      182.5437 69.62315 30.93506 57.01040 26.70386 12.61275       40.86654 
1 1 1 4   -6  31 o 53.70445 24.97437 -104.4289      155.0618 -278.6412      204.5440 130.9742       237.7680 53.39744 25.87683 85.53700 35.46950 -32.13956      43.90553 
1 1 1 4   -6  32 o 84.71825 33.83803 168.3305       206.9385 492.5904       355.1272 1.615724       254.6386 119.4763 45.26244 75.31271 33.85245 44.16356       56.52147 
1 1 1 4   -6  33 o 98.54953 31.70955 292.5106       169.6327 401.7570       220.2228 133.1219       266.0035 111.7438 36.14529 84.20517 36.31581 27.53867       51.23788 
1 1 1 4   -6  34 f 84.57127 31.63570 207.4491       172.2776 201.4773       218.1142 217.3540       280.9029 85.42825 34.52417 89.33550 37.88960 -3.907249      51.25954 
1 1 1 4   -6  35 o 64.33241 30.10213 -57.85620      230.9501 -530.1630      382.2628 213.6464       289.8257 62.97272 31.40990 85.76572 37.43943 -22.79300      48.87016 
1 1 1 4   -5  0  o 644.5180 7.749766 9947.202       238.7987 9947.202       238.7987 0.000000       0.000000 644.5180 7.749766 ?        ?        0.000000       7.749766 
1 1 1 4   -5  1  o 394.2739 7.054824 3721.286       132.9819 3721.286       132.9819 0.000000       0.000000 394.2739 7.054824 ?        ?        0.000000       7.054824 
1 1 1 4   -5  2  o 316.8691 6.827513 2403.279       103.4310 2523.745       147.1339 2285.591       145.4281 324.3782 9.497750 308.6380 9.868453 15.74023       13.69648 
1 1 1 4   -5  3  o 259.6996 6.850356 1615.363       84.97933 1637.177       121.6523 1594.575       118.7578 261.1872 9.759430 257.7729 9.653498 3.414368       13.72722 
1 1 1 4   -5  4  o 235.9146 8.193210 1334.301       92.26935 1359.075       111.3741 1280.088       164.7539 237.9482 9.811289 230.2604 15.04854 7.687820       17.96441 
1 1 1 4   -5  5  o 658.9043 10.07693 10403.70       317.4379 10515.47       336.8856 9518.658       948.0057 662.3411 10.63879 622.6309 31.95413 39.71027       33.67863 
1 1 1 4   -5  6  o 923.0070 11.76052 20430.29       518.9670 19859.35       1895.813 20476.54       539.5774 890.1891 44.68853 923.9351 12.21529 -33.74597      46.32794 
1 1 1 4   -5  7  o 392.4374 14.66072 3704.190       274.5807 3758.804       389.1020 3650.014       387.5342 394.1258 20.72282 388.3123 20.95231 5.813538       29.46921 
1 1 1 4   -5  8  o 685.1455 7.934140 11236.87       259.8909 11529.89       371.0916 10954.80       364.0909 693.5466 11.19172 676.0167 11.26533 17.52997       15.87962 
1 1 1 4   -5  9  o 331.0573 13.15888 2634.089       207.8569 2579.010       294.8935 2688.473       293.0235 326.6226 18.96631 333.6042 18.44404 -6.981598      26.45569 
1 1 1 4   -5  10 o 568.4226 20.03913 7803.542       543.7242 7660.897       769.8623 7945.506       768.0253 560.1345 28.84547 570.7186 28.23551 -10.58411      40.36465 
1 1 1 4   -5  11 o 256.0555 11.50598 1575.278       140.4931 1443.224       199.7644 1704.522       197.6275 244.2734 17.21567 265.8224 15.61944 -21.54900      23.24535 
1 1 1 4   -5  12 o 264.6779 8.254340 1678.992       104.3223 1672.321       152.6014 1684.845       142.9401 263.7517 12.13445 264.8363 11.31541 -1.084656      16.59167 
1 1 1 4   -5  13 o 162.2690 10.26139 633.6175       79.19913 671.0789       115.4645 600.3326       108.8379 166.4642 14.65796 157.3786 14.63289 9.085556       20.71177 
1 1 1 4   -5  14 o 198.5627 10.38903 947.7910       98.28056 1065.183       141.2570 837.6443       136.8282 210.0576 14.14829 185.9541 15.53256 24.10342       21.01034 
1 1 1 4   -5  15 o 470.4185 17.31602 5343.349       388.7757 5397.091       553.1015 5290.866       546.5801 470.3718 24.68184 465.7253 24.63560 4.646515       34.87271 
1 1 1 4   -5  16 o 197.1994 12.16103 937.6290       114.0949 966.8913       175.1177 916.0450       150.3980 199.1425 18.60869 194.2325 16.34774 4.909988       24.76958 
1 1 1 4   -5  17 o 203.6657 12.61182 1001.280       122.1992 954.5242       181.4400 1040.095       165.3148 197.4969 19.46897 206.8144 16.86579 -9.317444      25.75841 
1 1 1 4   -5  18 o 288.0245 13.19947 2001.953       181.2752 2064.437       267.8745 1949.165       246.2164 290.9332 19.36913 282.9646 18.29832 7.968628       26.64567 
1 1 1 4   -5  19 o 212.7219 13.11414 1094.698       132.7223 1072.323       203.2538 1111.330       175.2415 208.7101 20.63976 213.4047 17.32498 -4.694611      26.94725 
1 1 1 4   -5  20 f 472.7850 17.69770 5441.975       399.3206 5435.768       571.5120 5447.896       558.1735 467.8891 25.64709 468.8512 24.99181 -0.9620972     35.81011 
1 1 1 4   -5  21 o 315.4865 11.74597 2402.502       176.8556 2873.410       317.0795 2189.845       213.0792 342.2602 19.45792 300.2913 14.88834 41.96893       24.50047 
1 1 1 4   -5  22 o 70.32245 24.86506 109.6279       104.3497 90.53236       146.8621 129.0976       148.2940 73.61317 28.78421 79.17957 29.40348 -5.566406      41.14724 
1 1 1 4   -5  23 o 270.8896 14.05340 1782.590       181.3821 1770.567       291.0499 1790.225       231.9278 266.4197 23.07771 270.0762 18.06604 -3.656525      29.30806 
1 1 1 4   -5  24 o 173.7726 13.73079 736.3257       113.1472 1055.458       194.1714 572.2459       139.2282 206.2187 19.94326 151.3915 19.70312 54.82719       28.03474 
1 1 1 4   -5  25 o 299.2253 14.09075 2179.118       201.0107 2152.839       302.5370 2199.887       268.9603 293.8731 21.68605 298.5263 18.94275 -4.653137      28.79431 
1 1 1 4   -5  26 o 303.2735 14.14044 2241.906       204.4601 2365.174       310.5420 2147.583       271.6464 307.8553 21.22916 294.3111 19.41429 13.54422       28.76789 
1 1 1 4   -5  27 o 63.81935 23.84391 81.81315       97.80482 371.1006       314.0998 50.75275       102.9216 118.5990 42.99702 59.64994 23.85078 58.94910       49.16914 
1 1 1 4   -5  28 o 99.74902 21.97252 257.7279       101.9490 295.4932       208.5450 245.8685       116.8654 105.7311 35.22682 96.73482 25.06732 8.996254       43.23540 
1 1 1 4   -5  29 o 76.71520 24.23740 149.5374       99.46827 -155.4166      209.1474 238.6751       113.0749 61.63858 28.77751 95.06926 24.66840 -33.43068      37.90349 
1 1 1 4   -5  30 o 255.9701 16.23164 1624.256       197.6138 1437.365       382.2255 1692.435       230.8626 225.1995 36.76884 259.8015 18.71210 -34.60199      41.25640 
1 1 1 4   -5  31 o 76.26631 24.86402 149.4860       104.0939 136.2874       217.7030 153.3978       118.5201 84.81600 34.41356 77.87503 26.55754 6.940971       43.46948 
1 1 1 4   -5  32 o 101.8626 25.93307 284.1595       126.6031 295.0496       206.2453 277.5748       160.3739 101.8582 35.02486 99.36289 30.68388 2.495308       46.56438 
1 1 1 4   -5  33 o 57.82910 25.53971 -5.640889      138.4807 198.4736       344.5021 -44.97855      151.2374 95.42855 41.24297 56.67786 25.72331 38.75069       48.60732 
1 1 1 4   -5  34 o 59.26979 25.29370 33.76532       126.5305 300.8182       210.4123 -117.5086      158.3633 98.37616 35.25293 52.14890 24.56627 46.22726       42.96825 
1 1 1 4   -5  35 o 120.8284 31.61091 459.1622       184.6694 334.7505       239.6050 641.1954       289.8283 99.13416 37.26170 130.7663 41.38017 -31.63211      55.68441 
1 1 1 4   -5  36 o 144.4009 36.04968 729.8666       248.0896 88.76603       407.6966 1106.856       312.6358 82.66566 39.08565 176.1463 38.22442 -93.48059      54.66987 
1 1 1 4   -4  0  o 164.4127 6.871360 648.6337       53.89244 648.6337       53.89244 0.000000       0.000000 164.4127 6.871360 ?        ?        0.000000       6.871360 
1 1 1 4   -4  1  o 140.5197 6.869465 474.1069       46.00980 474.1069       46.00980 0.000000       0.000000 140.5197 6.869465 ?        ?        0.000000       6.869465 
1 1 1 4   -4  2  o 541.2553 7.306506 7018.951       189.0690 7255.210       268.1325 6785.313       266.6416 549.6954 10.20279 531.5286 10.49284 18.16687       14.63546 
1 1 1 4   -4  3  o 651.1566 10.21836 10178.54       318.1083 9958.680       973.2742 10204.84       336.5946 631.4590 32.34679 651.8359 10.80091 -20.37695      34.10242 
1 1 1 4   -4  4  o 242.0845 7.927360 1405.738       91.62584 1472.725       110.1743 1255.493       165.0000 247.6313 9.322716 227.6812 15.24609 19.95007       17.87055 
1 1 1 4   -4  5  o 357.5675 7.041031 3061.541       120.3657 3088.631       172.0874 3035.595       168.4175 358.6887 10.04502 355.6127 9.915753 3.075928       14.11470 
1 1 1 4   -4  6  o 321.2409 6.956574 2470.547       106.8402 2709.702       153.7225 2247.073       148.5974 336.0690 9.577315 305.9386 10.17356 30.13043       13.97234 
1 1 1 4   -4  7  o 118.6149 8.743608 338.8536       49.23512 311.1935       68.74342 367.9864       70.54965 113.1078 12.94541 123.2336 12.13163 -10.12579      17.74148 
1 1 1 4   -4  8  o 295.5171 12.04288 2098.554       169.7894 2204.832       240.9440 1993.720       239.3014 302.1965 16.74245 287.1819 17.51255 15.01462       24.22807 
1 1 1 4   -4  9  o 545.6473 9.979064 7133.400       260.3216 7218.215       707.3931 7120.115       279.9682 544.2229 27.27483 545.0397 10.74415 -0.8167725     29.31473 
1 1 1 4   -4  10 o 142.3490 8.956510 487.1493       60.64493 439.5493       90.49695 525.9498       81.70509 134.5527 14.28610 147.6530 11.66921 -13.10028      18.44622 
1 1 1 4   -4  11 o 148.5484 9.588375 530.7487       67.73222 560.8116       97.90173 503.1490       93.80518 152.2600 13.59196 144.1295 13.78099 8.130478       19.35606 
1 1 1 4   -4  12 o 113.5407 10.63064 311.6365       57.03481 337.3624       79.18791 283.9055       82.21610 117.6618 14.37532 107.4240 16.53814 10.23774       21.91255 
1 1 1 4   -4  13 o 264.8455 11.80149 1685.519       149.0547 1572.337       212.3234 1795.501       209.2995 254.9618 17.52524 272.7665 16.12167 -17.80464      23.81265 
1 1 1 4   -4  14 o 306.4936 8.403117 2251.102       123.0156 2409.849       180.8832 2114.499       167.7939 316.7308 11.96690 296.6723 11.85403 20.05847       16.84413 
1 1 1 4   -4  15 o 375.5246 8.435702 3377.206       151.4496 3253.699       222.0537 3484.630       207.0922 367.9570 12.64148 380.9937 11.38216 -13.03671      17.01061 
1 1 1 4   -4  16 o 495.4340 25.69193 5990.923       606.4636 0.000000       0.000000 5990.923       606.4636 ?        ?        495.4340 25.69193 0.000000       25.69193 
1 1 1 4   -4  17 o 360.9965 10.47522 3128.493       180.5989 3244.682       294.2330 3058.260       228.7611 366.4231 16.84081 356.4254 13.44884 9.997650       21.55190 
1 1 1 4   -4  18 o 331.2023 13.08424 2642.490       206.7735 2788.011       287.2303 2485.951       297.9056 339.1277 17.77779 319.6950 19.58501 19.43271       26.45038 
1 1 1 4   -4  19 o 53.94405 24.06742 -46.91070      126.1401 -322.5968      238.9183 59.63448       148.5282 60.17868 28.85890 70.62173 28.50772 -10.44305      40.56509 
1 1 1 4   -4  20 o 238.2073 12.77513 1370.654       144.9563 1450.243       225.3966 1314.519       189.2953 243.3925 19.53399 232.2875 17.16664 11.10498       26.00519 
1 1 1 4   -4  21 o 61.88433 21.59386 84.49883       78.52098 179.7027       145.2831 45.21376       93.32581 87.03957 29.40680 57.39085 22.78925 29.64872       37.20362 
1 1 1 4   -4  22 o 245.9984 13.02258 1465.407       152.6117 1625.684       234.2501 1347.213       201.1604 257.2620 19.18375 234.4302 18.08797 22.83186       26.36647 
1 1 1 4   -4  23 o 392.1180 13.62215 3724.639       254.9827 3754.047       329.5864 3680.795       402.4222 391.9258 17.63482 385.7948 21.90816 6.131012       28.12391 
1 1 1 4   -4  24 o 296.5296 14.00929 2135.076       198.0445 2056.413       296.0915 2198.759       266.4087 287.9139 21.66975 299.1243 18.72285 -11.21033      28.63779 
1 1 1 4   -4  25 o 262.7237 13.97523 1678.715       174.9046 1582.053       271.9748 1746.883       228.3977 251.4440 22.87464 266.5247 18.03058 -15.08069      29.12647 
1 1 1 4   -4  26 o 339.4892 14.87966 2809.917       240.9190 2804.758       357.3767 2814.214       326.1784 335.0607 22.43909 336.9165 20.34478 -1.855804      30.28898 
1 1 1 4   -4  27 o 239.3396 14.10488 1398.248       160.6803 1419.864       258.7607 1384.682       204.9908 237.1531 23.11543 236.5306 18.26903 0.6225433      29.46320 
1 1 1 4   -4  28 o 121.7596 19.11549 374.4604       107.6134 512.0236       206.7070 323.3139       126.0411 137.4213 32.05316 111.2681 24.36983 26.15324       40.26529 
1 1 1 4   -4  29 o 69.41370 25.14125 106.2762       107.3566 451.5530       337.1150 67.30806       113.2528 126.8159 44.70549 63.98609 25.19973 62.82980       51.31868 
1 1 1 4   -4  30 o 154.0954 17.10001 592.7209       123.8596 654.5238       229.7325 567.3942       147.0646 154.5315 32.14391 149.0623 21.23619 5.469223       38.52541 
1 1 1 4   -4  31 f 76.90993 25.06833 151.1205       105.8146 -177.8422      213.4705 258.2776       121.8358 60.52773 28.51604 98.01755 25.69194 -37.48982      38.38282 
1 1 1 4   -4  32 o 120.5564 34.33423 420.8012       207.4066 423.9436       342.3524 418.9792       260.6934 118.7404 44.55935 118.4304 39.38378 0.3100281      59.46947 
1 1 1 4   -4  33 o 74.83240 29.93161 109.4613       162.1480 117.6020       206.0134 96.20803       262.8616 80.47324 33.15876 84.22500 36.21010 -3.751762      49.09862 
1 1 1 4   -4  34 o 129.6939 46.14676 627.2291       359.9062 627.2291       359.9062 0.000000       0.000000 129.6939 46.14676 ?        ?        0.000000       46.14676 
1 1 1 4   -4  35 o 127.2209 24.45545 451.6655       143.3427 389.9485       227.5966 492.2410       184.5419 108.5363 36.80552 127.8707 30.59661 -19.33434      47.86229 
1 1 1 4   -4  36 o 65.13213 27.00640 81.54092       137.8274 119.2353       226.0652 59.24017       173.8822 76.75975 33.29151 66.89276 29.10302 9.866989       44.21889 
1 1 1 4   -3  0  f 349.8147 6.955938 2932.762       116.3328 2932.762       116.3328 0.000000       0.000000 349.8147 6.955938 ?        ?        0.000000       6.955938 
1 1 1 4   -3  1  o 409.5527 7.047202 4020.206       137.9859 4020.206       137.9859 0.000000       0.000000 409.5527 7.047202 ?        ?        0.000000       7.047202 
1 1 1 4   -3  2  o 339.3090 6.870417 2759.016       111.4517 2775.217       158.2232 2743.061       157.0168 339.7363 9.751454 337.7643 9.733685 1.971985       13.77808 
1 1 1 4   -3  3  o 665.1554 7.607550 10608.07       241.9225 11341.26       343.3145 9884.906       340.9579 686.8383 10.45512 640.9832 11.12617 45.85510       15.26766 
1 1 1 4   -3  4  o 79.67217 7.877998 153.6905       29.61519 166.3739       42.48615 141.7036       41.30330 82.44760 11.05706 75.84979 11.77130 6.597809       16.14999 
1 1 1 4   -3  5  o 107.9734 7.392975 280.7292       37.93288 305.9885       55.47740 258.5515       51.98330 112.3621 10.44700 103.1680 10.69418 9.194077       14.95010 
1 1 1 4   -3  6  o 79.87589 8.916335 154.9433       33.46945 144.0144       49.41549 164.2062       45.49331 76.09272 14.10269 81.76637 11.99403 -5.673653      18.51331 
1 1 1 4   -3  7  o 316.9363 8.746991 2410.397       132.4108 2416.246       271.4845 2408.571       151.6742 315.3584 18.08242 316.6252 10.03244 -1.266724      20.67907 
1 1 1 4   -3  8  o 167.5112 9.489733 674.9933       75.68787 654.0986       108.0436 695.1285       106.0616 164.2948 13.88507 169.5124 13.19101 -5.217560      19.15197 
1 1 1 4   -3  9  o 17.91490 8.324615 -15.57695      17.17694 -50.77588      28.65098 4.173409       21.46160 19.68409 9.572707 25.82948 10.67850 -6.145388      14.34109 
1 1 1 4   -3  10 o 531.9149 10.20829 6781.355       259.5993 6767.728       281.1567 6860.136       676.0106 531.2562 11.06971 530.2469 26.75300 1.009277       28.95274 
1 1 1 4   -3  11 o 376.4394 14.45622 3408.644       259.6870 3275.396       368.0721 3540.712       366.4391 367.7150 21.02457 382.5745 20.10502 -14.85950      29.09028 
1 1 1 4   -3  12 o 261.4767 11.61167 1642.410       144.7943 1570.424       205.9337 1712.792       203.6259 254.9464 16.99246 266.4458 16.05967 -11.49940      23.38069 
1 1 1 4   -3  13 o 611.8122 21.38122 9049.542       624.4402 8926.412       884.0917 9172.117       882.0954 604.0358 30.71527 612.5379 30.21458 -8.502136      43.08537 
1 1 1 4   -3  14 o 145.3919 10.75518 509.4065       74.23016 634.1347       106.8927 393.2343       103.1613 161.9199 13.94397 126.6397 17.50653 35.28023       22.38108 
1 1 1 4   -3  15 o 474.4554 17.25703 5426.666       390.7920 5459.644       554.6892 5394.165       550.6596 473.8657 24.56810 471.0180 24.53791 2.847687       34.72320 
1 1 1 4   -3  16 o 733.5462 11.78197 12908.33       413.1938 12772.68       1235.070 12925.42       438.4588 718.3180 36.07937 733.8697 12.49688 -15.55170      38.18237 
1 1 1 4   -3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -3  18 o 529.2112 19.09366 6778.087       482.2966 6964.788       686.6450 6596.281       677.5860 533.2022 27.02405 518.6838 27.42200 14.51843       38.50020 
1 1 1 4   -3  19 o 661.5737 23.14793 10674.94       731.0196 10882.62       1037.836 10470.45       1029.845 661.3146 32.92916 648.3254 33.33738 12.98926       46.85841 
1 1 1 4   -3  20 o 130.7247 20.14196 424.4769       121.8460 448.4119       162.8692 394.0529       183.6243 132.8448 26.57281 123.6009 31.10355 9.243965       40.90898 
1 1 1 4   -3  21 o 347.0701 11.59499 2900.911       192.1257 3196.515       309.9755 2716.511       244.8234 362.5106 17.94113 334.9139 15.33080 27.59668       23.59910 
1 1 1 4   -3  22 o 412.4484 11.96168 4101.438       235.6194 4248.981       463.1948 4049.932       273.6725 414.8477 23.44977 409.2006 14.00966 5.647095       27.31597 
1 1 1 4   -3  23 o 110.5506 24.19577 313.5442       124.3235 417.1388       171.5130 198.8486       180.4686 126.5498 28.97442 92.65025 32.70520 33.89954       43.69379 
1 1 1 4   -3  24 o 121.5349 27.51250 384.2480       156.1245 367.0197       284.0017 391.7093       186.8989 119.6945 41.10236 121.7364 31.77801 -2.041931      51.95427 
1 1 1 4   -3  25 o 111.3752 19.92272 313.2651       102.1882 188.8202       180.6790 371.7950       123.9105 90.84674 32.65363 120.8840 22.26029 -30.03727      39.51936 
1 1 1 4   -3  26 o 260.5217 15.18153 1656.404       188.2704 1532.701       319.7099 1722.075       232.9440 244.7667 27.81358 264.3351 18.55045 -19.56834      33.43224 
1 1 1 4   -3  27 o 61.12713 23.52534 66.19474       96.91944 -67.47789      180.7981 120.0973       114.8094 63.06261 28.42004 73.08813 26.05748 -10.02551      38.55763 
1 1 1 4   -3  28 o 44.62491 20.37698 -57.07281      96.74509 20.80703       182.1524 -87.67436      114.1810 70.70768 30.26587 46.52205 21.56432 24.18563       37.16238 
1 1 1 4   -3  29 o 66.42220 27.32759 50.33993       139.6484 -151.4269      193.3300 270.4706       201.9364 59.29337 27.67775 102.0691 34.66805 -42.77574      44.36137 
1 1 1 4   -3  30 o 45.45429 21.88153 -194.6711      140.4014 -440.5660      194.8202 71.04090       202.5185 46.12816 22.91149 78.27633 32.61963 -32.14817      39.86197 
1 1 1 4   -3  31 o 150.0276 20.61510 574.3578       143.9594 595.7603       358.6101 570.2462       157.1804 138.7224 46.19330 148.4342 22.88358 -9.711899      51.55074 
1 1 1 4   -3  32 o 106.4432 24.02703 302.0367       119.3630 261.2642       223.5047 318.3055       141.1826 99.35403 36.23307 108.0269 27.32238 -8.672867      45.38004 
1 1 1 4   -3  33 o 144.4636 21.37157 541.9777       143.1577 77.40035       348.8973 636.0272       156.9808 91.78851 40.53810 156.5926 21.53844 -64.80412      45.90471 
1 1 1 4   -3  34 o 141.1279 26.35926 547.9258       171.3116 528.8453       225.1794 574.1439       263.9578 132.0526 35.07769 134.3970 38.87799 -2.344391      52.36356 
1 1 1 4   -3  35 o 102.6688 30.79444 316.8446       163.1167 403.0048       352.9409 293.4426       183.9397 108.0743 43.82961 98.10329 33.08861 9.971001       54.91713 
1 1 1 4   -3  36 o 138.0445 23.62729 529.1428       150.3312 479.1287       232.6136 565.0142       196.9984 118.7090 37.00274 136.1234 30.97063 -17.41438      48.25332 
1 1 1 4   -3  37 o 88.44363 35.93241 259.2088       237.7056 411.7084       366.3120 148.2822       312.4170 99.38067 42.73600 82.25990 37.18845 17.12077       56.65110 
1 1 1 4   -2  0  o 33.96630 7.991282 28.77359       12.75877 28.77359       12.75877 0.000000       0.000000 33.96630 7.991282 ?        ?        0.000000       7.991282 
1 1 1 4   -2  1  o 232.2559 6.705761 1293.212       74.38206 1293.212       74.38206 0.000000       0.000000 232.2559 6.705761 ?        ?        0.000000       6.705761 
1 1 1 4   -2  2  o 126.7233 6.589281 385.6905       39.78400 413.5945       57.00800 359.1987       55.54660 130.9632 9.162768 121.9462 9.605026 9.016975       13.27452 
1 1 1 4   -2  3  f 285.3754 6.791047 1951.167       92.65346 1987.423       131.8311 1915.778       130.2468 287.5317 9.603589 282.2855 9.665209 5.246216       13.62517 
1 1 1 4   -2  4  f 618.6819 7.567287 9176.166       223.8288 9478.137       317.9843 8879.614       315.1186 627.9156 10.59244 607.6839 10.84646 20.23169       15.16066 
1 1 1 4   -2  5  o 311.3466 6.943797 2323.017       103.3593 2442.697       147.4852 2207.506       144.8935 318.7445 9.689515 302.9357 10.01816 15.80887       13.93737 
1 1 1 4   -2  6  o 306.3534 7.061229 2249.435       103.4216 2289.861       147.6907 2210.539       144.8706 308.5198 10.02626 303.1265 10.01023 5.393280       14.16794 
1 1 1 4   -2  7  f 360.6837 7.221251 3118.097       124.5223 3098.154       177.6410 3137.364       174.6007 358.8752 10.36446 361.1934 10.12107 -2.318176      14.48648 
1 1 1 4   -2  8  o 198.8394 7.472065 948.9235       70.90520 1011.862       103.8898 894.0413       97.01323 204.9238 10.64050 192.6001 10.57636 12.32373       15.00266 
1 1 1 4   -2  9  o 459.4753 16.77066 5111.567       367.7828 5103.459       520.8385 5119.630       519.4114 456.1107 23.96908 456.8865 23.86176 -0.7758484     33.82160 
1 1 1 4   -2  10 o 308.4771 12.55998 2290.647       184.8465 2319.639       262.4397 2262.105       260.3970 309.3439 17.82057 305.4498 17.91009 3.894104       25.26546 
1 1 1 4   -2  11 o 392.2989 7.627618 3684.864       143.0587 3908.930       207.6696 3482.502       197.3555 403.5807 10.77265 380.9044 10.84844 22.67627       15.28852 
1 1 1 4   -2  12 o 331.5803 9.816041 2636.572       155.4372 2637.564       183.0656 2634.010       294.2408 331.4377 11.57080 330.0401 18.72462 1.397552       22.01125 
1 1 1 4   -2  13 o 286.5933 9.406400 1969.387       128.7090 1970.122       237.8253 1969.083       153.0612 285.5840 17.50277 286.3896 11.20050 -0.8056335     20.77976 
1 1 1 4   -2  14 o 233.2678 11.08275 1307.201       123.2442 1399.911       177.8940 1221.634       170.9035 240.8604 15.53133 224.8660 16.00169 15.99443       22.29969 
1 1 1 4   -2  15 o 243.0471 10.48576 1418.263       121.5559 1482.020       164.0252 1340.589       181.0440 248.0607 13.88613 235.5626 16.17384 12.49814       21.31707 
1 1 1 4   -2  16 o 246.8369 11.64965 1464.435       137.0894 1540.632       197.8576 1394.080       190.1212 252.5190 16.47895 240.1261 16.66424 12.39282       23.43614 
1 1 1 4   -2  17 o 241.1669 13.11292 1400.491       150.6221 1160.625       221.8437 1605.631       205.1572 218.0307 21.56457 257.7166 16.74144 -39.68597      27.30029 
1 1 1 4   -2  18 o 814.8631 9.705425 15913.95       378.1008 14324.20       549.5435 17342.98       521.0261 771.7336 14.89451 849.8398 12.82372 -78.10614      19.65437 
1 1 1 4   -2  19 o 462.5930 17.56345 5171.476       387.7285 4970.737       553.3676 5365.069       543.4294 450.6927 25.78942 468.8723 24.32584 -18.17966      35.45195 
1 1 1 4   -2  20 o 411.9847 13.37084 4087.933       263.0102 4219.625       332.0056 3866.033       430.9664 417.7179 16.65812 397.8114 22.75481 19.90649       28.20061 
1 1 1 4   -2  21 o 328.0235 14.42933 2599.607       225.7332 2637.514       328.3792 2565.648       310.8144 328.4806 21.02048 324.2478 20.14963 4.232849       29.11818 
1 1 1 4   -2  22 o 180.8787 16.21134 798.1475       138.7041 1098.712       275.5499 696.1432       160.5242 208.6785 28.35204 167.7998 20.43032 40.87869       34.94619 
1 1 1 4   -2  23 o 297.1533 13.84794 2137.950       196.1905 2457.953       291.3204 1872.363       265.3983 316.8057 19.32594 276.0191 20.25278 40.78662       27.99406 
1 1 1 4   -2  24 o 96.50375 30.54945 235.1067       157.9526 489.2520       274.4031 109.1698       193.1632 134.6614 39.83236 82.67496 32.80008 51.98644       51.59905 
1 1 1 4   -2  25 f 139.8800 21.22915 491.9104       137.5166 567.6013       187.1336 403.0499       202.7609 148.2948 27.40395 123.0623 33.54899 25.23248       43.31872 
1 1 1 4   -2  26 o 119.4807 20.04613 359.9039       110.4565 186.3038       186.5632 453.6006       137.0608 90.93080 33.11232 133.7707 22.20959 -42.83994      39.87093 
1 1 1 4   -2  27 o 81.05766 24.66652 166.4172       104.1216 250.4644       183.1954 126.3110       126.5489 99.34758 33.01421 75.65601 27.31059 23.69157       42.84631 
1 1 1 4   -2  28 o 150.9454 21.47951 576.3734       150.6381 821.3857       207.2777 302.1172       219.2990 179.1684 24.86767 107.5740 36.12850 71.59435       43.85966 
1 1 1 4   -2  29 o 213.3207 16.82694 1123.411       170.2228 1054.929       243.7572 1188.596       237.8156 202.4673 25.76504 216.3821 23.35822 -13.91484      34.77706 
1 1 1 4   -2  30 o 148.7687 18.44287 554.1823       128.3670 686.2186       219.5907 485.6387       158.2160 160.6200 29.68940 136.5310 25.16575 24.08900       38.92011 
1 1 1 4   -2  31 o 56.27734 23.77585 17.88770       109.8938 -28.20895      199.6606 37.92147       131.6252 68.79241 30.50988 63.17229 26.30930 5.620121       40.28687 
1 1 1 4   -2  32 o 172.2458 21.08238 759.0155       169.9958 875.7642       237.7241 636.8366       243.1898 180.6483 28.46646 149.6072 34.67813 31.04115       44.86549 
1 1 1 4   -2  33 o 156.0920 18.65863 619.0969       136.4868 266.9860       223.4660 828.6041       172.3738 99.48408 36.23762 179.8750 20.40441 -80.39097      41.58731 
1 1 1 4   -2  34 o 84.58949 28.27778 191.0784       134.3636 154.7674       337.1929 197.9323       146.4967 94.96053 40.92044 86.16141 29.52243 8.799118       50.45846 
1 1 1 4   -2  35 o 223.2370 17.82564 1275.193       188.6686 1033.053       265.8216 1520.996       267.8250 189.6723 30.33596 237.9593 23.86354 -48.28694      38.59714 
1 1 1 4   -2  36 o 97.55245 28.64072 282.2346       142.3117 268.1564       356.0884 284.9106       155.2491 96.80560 41.88452 97.19289 30.21904 -0.3872910     51.64788 
1 1 1 4   -2  37 o 100.4571 27.01734 302.3968       132.5628 0.2423584E-03  228.3661 456.0770       162.7992 68.47093 31.28143 122.9866 28.27902 -54.51566      42.16908 
1 1 1 4   -2  38 o 99.93056 35.89349 374.3227       218.2681 484.0674       383.2821 321.6517       265.5294 100.5256 43.47419 92.01675 37.75113 8.508804       57.57737 
1 1 1 4   -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -1  2  o 414.6787 9.884389 4124.844       195.9611 0.000000       0.000000 4124.844       195.9611 ?        ?        414.6787 9.884389 0.000000       9.884389 
1 1 1 4   -1  3  o 395.6711 7.025253 3749.169       132.8938 3712.961       188.7352 3784.773       187.1551 393.2567 10.04672 397.1970 9.855700 -3.940308      14.07378 
1 1 1 4   -1  4  o 142.5997 6.867643 488.1057       46.68272 549.5214       67.48608 431.7535       64.64425 151.0706 9.390275 133.7405 10.18681 17.33008       13.85454 
1 1 1 4   -1  5  o 453.8776 16.58950 4988.354       359.3761 4905.332       508.5396 5071.176       507.9301 447.0257 23.88157 454.7550 23.44155 -7.729309      33.46395 
1 1 1 4   -1  6  o 590.6067 20.81840 8521.124       586.9139 8492.484       830.3777 8549.714       829.6659 583.0344 29.88994 585.1119 29.75667 -2.077515      42.17663 
1 1 1 4   -1  7  o 367.8301 14.26632 3272.589       250.4052 3019.614       354.5471 3524.368       353.7073 350.8011 21.23949 379.8149 19.54460 -29.01373      28.86360 
1 1 1 4   -1  8  o 203.9783 10.26699 1002.646       99.80145 903.6019       141.8750 1099.665       140.4174 192.5916 15.54035 212.9607 13.86696 -20.36908      20.82775 
1 1 1 4   -1  9  f 53.49322 13.11640 71.72741       33.28282 48.04731       63.86248 80.55759       38.99767 51.25706 19.24316 56.67261 14.37400 -5.415543      24.01897 
1 1 1 4   -1  10 o 56.97272 13.94315 81.35854       37.66451 63.75010       49.39216 105.8251       58.22153 52.31813 17.13173 65.09769 18.06940 -12.77956      24.89978 
1 1 1 4   -1  11 o 191.5158 9.159504 881.4427       83.62270 927.1828       134.4942 852.6169       106.7692 195.6763 14.47921 187.9987 11.94079 7.677551       18.76778 
1 1 1 4   -1  12 o 361.0053 7.828733 3120.956       135.1181 3320.512       196.4931 2941.948       186.1017 371.8719 11.06443 350.0024 11.13587 21.86948       15.69806 
1 1 1 4   -1  13 o 273.4136 9.432829 1792.998       123.1174 1765.448       220.1478 1805.536       148.5132 270.2593 17.12635 274.1631 11.35504 -3.903717      20.54869 
1 1 1 4   -1  14 o 301.3369 9.673809 2177.400       139.1859 2181.171       257.7709 2175.848       165.3646 300.4466 18.02855 301.0346 11.51115 -0.5880127     21.39007 
1 1 1 4   -1  15 o 452.4490 10.28407 4905.051       222.4554 5045.548       251.4176 4398.460       477.4101 458.7519 11.46330 425.6964 23.54935 33.05548       26.19120 
1 1 1 4   -1  16 o 482.8104 17.37562 5618.399       400.4207 5983.854       568.0288 5257.411       564.5480 496.4590 24.00310 464.8095 25.50262 31.64951       35.02189 
1 1 1 4   -1  17 o 374.2008 15.08308 3371.165       269.2852 3377.752       385.1096 3364.862       376.6837 373.1639 21.67956 372.5580 21.23621 0.6058655      30.34765 
1 1 1 4   -1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   -1  19 o 260.9967 13.74067 1641.531       170.8515 1866.133       250.0677 1444.906       233.9752 277.3625 18.97251 243.6276 20.27142 33.73485       27.76484 
1 1 1 4   -1  20 o 113.6366 22.85419 324.6688       119.8556 314.5419       256.2334 327.5051       135.6054 115.1458 39.05236 113.6847 25.57113 1.461128       46.67944 
1 1 1 4   -1  21 o 579.0613 20.73357 8157.451       573.0670 8321.240       814.5917 7996.960       806.3495 579.7415 29.48668 568.1026 29.79262 11.63885       41.91736 
1 1 1 4   -1  22 o 155.5166 19.07651 595.8078       138.8680 386.5670       183.6419 875.2435       212.2217 122.2416 31.29302 187.4847 24.24340 -65.24309      39.58530 
1 1 1 4   -1  23 o 274.2577 14.46965 1822.269       189.0540 1962.582       297.8812 1727.632       244.6383 282.1482 22.26325 265.6098 19.39889 16.53836       29.52913 
1 1 1 4   -1  24 o 225.8010 14.03861 1237.623       150.8013 1309.784       228.4383 1181.887       200.7625 230.2104 20.98610 219.1359 19.36186 11.07455       28.55343 
1 1 1 4   -1  25 o 164.0206 22.64582 676.0593       172.8469 1123.316       289.4642 428.2127       215.4805 208.9812 29.81652 126.7047 34.60306 82.27657       45.67709 
1 1 1 4   -1  26 o 146.6635 17.23417 531.7129       118.5394 589.5396       191.5688 495.8337       150.8975 151.0210 27.54725 139.6527 23.42983 11.36830       36.16362 
1 1 1 4   -1  27 o 79.23049 24.99156 156.6332       105.7941 245.1848       179.7833 109.7274       130.8473 98.51931 32.70427 73.66439 27.56754 24.85492       42.77310 
1 1 1 4   -1  28 o 250.6191 15.35329 1536.281       183.0774 1443.536       264.7857 1621.227       253.4099 239.3371 23.44096 255.0300 20.96880 -15.69295      31.45106 
1 1 1 4   -1  29 o 135.6363 19.84905 464.2289       124.9039 140.6036       207.1161 649.1959       156.5812 86.55061 34.08079 160.3987 20.91660 -73.84811      39.98755 
1 1 1 4   -1  30 o 89.78197 28.02642 209.1569       133.3936 331.0736       325.6097 184.5686       146.2277 114.5314 43.35163 86.28072 29.49721 28.25066       52.43519 
1 1 1 4   -1  31 o 126.1021 21.79847 408.4225       126.6660 554.5023       209.5944 324.3739       158.9827 142.8331 31.53743 109.6584 29.62879 33.17474       43.27209 
1 1 1 4   -1  32 o 56.90213 24.98230 -14.29903      130.6924 -865.5923      351.0784 122.6488       140.8128 58.33344 29.24436 75.62119 28.53440 -17.28776      40.85884 
1 1 1 4   -1  33 o 109.3559 30.64526 334.0037       166.6058 366.6505       221.1739 291.1788       253.3156 112.7715 36.20039 103.8412 38.45431 8.930305       52.81290 
1 1 1 4   -1  34 o 158.6704 18.89559 642.1844       140.5264 1057.829       232.1454 401.7895       176.5476 200.0097 24.80886 119.0545 30.78961 80.95518       39.54086 
1 1 1 4   -1  35 o 53.86968 23.77346 -10.68259      119.7780 51.20484       207.3687 -41.66792      146.7304 73.74689 31.93528 56.36181 25.48259 17.38509       40.85615 
1 1 1 4   -1  36 o 98.40337 27.00437 279.9950       130.8692 16.67583       224.3797 415.7526       161.1107 71.28291 31.92990 119.1562 28.63766 -47.87325      42.89096 
1 1 1 4   -1  37 o 87.07433 29.56179 226.3760       146.8292 320.0917       367.9342 208.6246       160.1325 98.45950 42.58780 84.37006 30.68408 14.08944       52.49031 
1 1 1 4   -1  38 o 105.4574 32.01303 372.7757       175.5253 221.6196       230.1731 582.8290       271.3353 84.22256 34.90910 120.8725 40.17912 -36.64993      53.22599 
1 1 1 4   0   0  o 14.50177 5.496426 3.535595       5.238289 5.008229       6.563550 0.9520087      8.693663 16.62198 6.183402 16.10414 6.738217 0.5178394      9.145383 
1 1 1 4   0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0   2  o 347.3870 6.876629 2888.829       114.2083 2884.199       161.1084 2893.506       161.9244 346.7272 9.728623 347.2823 9.762309 -0.5550537     13.78219 
1 1 1 4   0   3  o 327.2253 6.901969 2563.352       107.9763 2513.180       152.3631 2613.972       153.0423 323.6122 9.859463 330.0629 9.709091 -6.450684      13.83747 
1 1 1 4   0   4  o 155.7370 7.039143 581.8849       52.27523 598.1694       73.74116 565.4341       74.11696 157.6387 9.833478 153.2086 10.17641 4.430069       14.15121 
1 1 1 4   0   5  o 263.6053 7.071383 1665.135       89.03782 1740.305       126.0050 1590.170       125.8321 269.1945 9.807081 257.2485 10.25182 11.94598       14.18727 
1 1 1 4   0   6  o 542.8782 9.934435 7071.703       257.8421 7073.323       277.5025 7061.468       697.4420 542.7779 10.69391 535.2511 27.34537 7.526794       29.36204 
1 1 1 4   0   7  o 465.6820 16.94599 5255.554       376.6516 5290.307       532.6257 5220.790       532.7060 464.0164 24.09186 460.8613 24.26284 3.155090       34.19215 
1 1 1 4   0   8  f 304.7454 8.705288 2230.192       126.7020 2306.028       147.2223 2013.610       248.7994 309.6709 9.957030 287.3193 18.20604 22.35165       20.75096 
1 1 1 4   0   9  o 277.0882 11.84861 1852.385       156.5994 1804.481       221.5562 1900.210       221.3738 272.1164 17.11696 279.4096 16.64753 -7.293243      23.87741 
1 1 1 4   0   10 o 170.1292 8.823643 696.4795       71.52345 704.9808       102.3251 688.3580       100.0133 170.5819 12.63677 168.5726 12.49865 2.009338       17.77370 
1 1 1 4   0   11 o 66.01479 12.43551 108.2746       37.80818 89.53397       54.48178 125.6835       52.51037 60.27098 17.72803 70.74010 15.91290 -10.46912      23.82233 
1 1 1 4   0   12 o 216.1309 10.60479 1123.826       109.2445 1304.644       155.7535 948.7372       153.2665 232.3712 14.08613 197.6113 16.36959 34.75995       21.59589 
1 1 1 4   0   13 o 274.8118 9.639521 1812.326       126.4521 1829.715       223.1949 1804.105       153.4568 275.0012 17.06025 273.9299 11.74488 1.071228       20.71218 
1 1 1 4   0   14 o 176.6071 10.42365 750.1167       87.61948 860.5534       125.9626 646.5878       121.9596 188.7711 14.05812 163.2215 15.82740 25.54961       21.16925 
1 1 1 4   0   15 o 227.6098 10.11203 1243.672       109.7620 1217.059       173.1992 1261.534       141.8936 224.3983 16.25443 228.9253 13.01831 -4.526932      20.82505 
1 1 1 4   0   16 o 116.2595 11.73761 327.3731       64.34795 345.6742       94.72861 311.6933       87.68274 118.6511 17.20038 112.6216 16.79778 6.029526       24.04201 
1 1 1 4   0   17 o 768.7164 12.17911 14175.43       447.5999 13638.08       1331.266 14243.91       475.2686 742.1016 37.64558 770.4057 12.90361 -28.30408      39.79564 
1 1 1 4   0   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0   19 o 183.7677 16.37337 819.4078       142.3470 789.5749       185.9642 861.6211       221.2108 179.2484 22.17256 186.5996 25.45965 -7.351166      33.76116 
1 1 1 4   0   20 o 511.3216 12.89386 6284.838       314.9479 6366.688       363.9347 6040.706       628.5289 514.1837 14.82006 496.8127 26.55861 17.37103       30.41372 
1 1 1 4   0   21 o 282.2834 13.74600 1921.849       184.9535 2182.426       276.5482 1710.978       248.7777 299.5812 19.41301 265.0208 19.77724 34.56042       27.71289 
1 1 1 4   0   22 f 130.9040 18.01923 422.5643       109.7823 442.8965       168.1818 407.4688       144.9148 131.7633 27.58412 126.9157 24.77244 4.847534       37.07502 
1 1 1 4   0   23 o 69.70018 26.62846 86.05785       123.5585 267.9941       154.4984 -236.8007      205.8119 102.5227 29.76958 57.96525 27.51348 44.55745       40.53665 
1 1 1 4   0   24 o 214.3190 15.72536 1118.859       160.0058 1144.346       282.4905 1106.820       194.1528 212.3901 28.54208 212.1465 19.35550 0.2436218      34.48602 
1 1 1 4   0   25 o 290.5154 13.93311 2047.004       192.9557 2278.421       293.2110 1870.231       256.2663 304.1414 20.28079 275.7196 19.56801 28.42178       28.18187 
1 1 1 4   0   26 o 327.3484 14.71202 2605.112       229.6569 2847.842       334.2420 2388.036       316.0858 339.5628 20.68703 310.4775 21.42584 29.08524       29.78288 
1 1 1 4   0   27 o 93.34985 26.95950 225.1273       127.0228 306.5497       292.0041 206.1239       141.0692 112.7364 41.36673 90.42146 28.89926 22.31496       50.46160 
1 1 1 4   0   28 o 69.14780 25.34295 100.8514       109.5472 269.0407       181.0057 3.639007       137.6112 101.9193 32.75165 61.01059 26.21419 40.90871       41.95061 
1 1 1 4   0   29 o 222.6909 15.12276 1214.921       160.0509 1385.896       246.9062 1091.012       210.1926 234.7145 22.26951 208.4490 21.39492 26.26555       30.88161 
1 1 1 4   0   30 o 138.7843 23.20809 495.5418       148.5554 108.2252       325.8454 597.1697       166.9111 95.94934 40.75602 152.4315 23.67103 -56.48215      47.13142 
1 1 1 4   0   31 f 175.0395 17.66445 762.5138       145.8037 881.9956       232.9589 685.5690       186.9466 183.6749 27.36294 162.8330 24.79586 20.84192       36.92649 
1 1 1 4   0   32 o 80.12383 30.49573 136.2876       161.6651 192.8075       209.2039 52.50259       254.7134 91.70581 34.74049 82.94375 35.65166 8.762062       49.77894 
1 1 1 4   0   33 o 78.51199 28.93400 143.8222       143.1112 30.06032       375.2599 163.1836       154.8112 92.57582 41.39287 82.38467 30.13794 10.19115       51.20220 
1 1 1 4   0   34 o 50.30290 23.89139 -158.5435      155.6659 -310.6610      197.8357 88.72787       252.2330 50.85180 24.82397 83.46247 35.66765 -32.61067      43.45585 
1 1 1 4   0   35 o 195.6448 19.52707 982.0515       180.2104 893.9058       373.3645 1008.823       205.7656 162.2753 46.01650 196.3260 22.31799 -34.05074      51.14305 
1 1 1 4   0   36 o 93.29440 32.07169 256.2486       172.9282 215.0717       228.5947 311.3396       264.4113 89.60144 35.63840 100.4293 38.80262 -10.82788      52.68528 
1 1 1 4   0   37 o 113.0049 26.65825 371.0359       141.6780 39.11230       237.9985 553.2202       176.3236 73.38393 32.87679 137.8297 27.72001 -64.44576      43.00328 
1 1 1 4   0   38 o 46.65354 23.37763 -481.5891      223.0601 -329.3717      401.7569 -549.4218      268.1949 69.81010 34.34308 50.91966 25.53224 18.89044       42.79419 
1 1 1 4   0   39 o 46.08389 22.02128 -116.1308      136.4469 -504.9189      251.6214 45.81735       162.3974 48.87977 24.54025 62.31279 27.58212 -13.43302      36.91879 
1 1 1 4   1   0  o 380.2100 6.911933 3460.229       125.6410 3425.846       177.5168 3494.741       177.8502 377.9317 9.833018 381.7258 9.753272 -3.794067      13.84971 
1 1 1 4   1   1  o 165.6034 6.592012 657.3881       52.08673 0.000000       0.000000 657.3881       52.08673 ?        ?        165.6034 6.592012 0.000000       6.592012 
1 1 1 4   1   2  o 327.1621 6.875338 2561.956       107.5389 2643.525       151.8536 2479.892       152.3133 331.9888 9.577394 321.5010 9.921269 10.48785       13.78978 
1 1 1 4   1   3  o 510.3687 9.504189 6242.381       231.9036 6262.952       250.2669 6117.433       616.7857 511.1043 10.24202 500.5536 25.86130 10.55072       27.81557 
1 1 1 4   1   4  o 181.2135 9.492550 789.1873       81.95299 811.3557       115.6650 766.8385       116.1345 183.2868 13.28992 178.0956 13.74583 5.191208       19.11988 
1 1 1 4   1   5  o 762.0101 26.06050 14186.99       948.0087 13860.58       1340.409 14513.68       1340.965 744.3898 37.78780 762.5512 36.89185 -18.16144      52.81029 
1 1 1 4   1   6  o 124.5619 8.798754 373.6993       52.06081 347.2495       73.15271 400.8435       74.10677 119.4917 13.01524 128.6031 12.19894 -9.111473      17.83846 
1 1 1 4   1   7  o 535.7448 7.613431 6876.221       195.0054 6859.205       275.6742 6893.264       275.8847 534.4897 10.78818 535.8191 10.76964 -1.329346      15.24368 
1 1 1 4   1   8  o 115.9714 9.297712 324.7724       51.11922 328.6735       72.30678 320.8742       72.28023 116.0710 13.26817 114.6370 13.44333 1.434044       18.88829 
1 1 1 4   1   9  o 240.5782 9.003464 1391.125       103.3730 1428.128       127.7473 1320.933       175.9439 243.4362 11.00481 233.0706 15.88480 10.36562       19.32441 
1 1 1 4   1   10 o 195.5461 9.439904 920.5051       87.99143 973.6049       137.3754 883.5649       114.5807 200.2017 14.44989 191.0431 12.61565 9.158615       19.18213 
1 1 1 4   1   11 o 492.1332 17.81138 5888.396       418.3808 6246.991       591.9295 5530.405       591.4304 503.0699 24.68662 472.2635 26.29840 30.80630       36.06987 
1 1 1 4   1   12 o 201.9112 10.60439 981.7943       102.0068 974.1054       144.2346 989.4885       144.2844 200.3444 15.17134 201.9523 15.05209 -1.607925      21.37136 
1 1 1 4   1   13 f 375.8502 14.51997 3405.280       260.4182 3463.990       368.1635 3346.490       368.4105 377.5350 20.47403 370.9431 20.85784 6.591919       29.22730 
1 1 1 4   1   14 o 248.1256 10.10684 1478.128       119.6424 1508.817       153.0693 1429.937       191.8110 250.3631 12.83100 243.1369 16.60074 7.226166       20.98140 
1 1 1 4   1   15 o 252.3112 11.73431 1529.895       141.1600 1531.646       199.4074 1528.136       199.8540 251.7805 16.65941 251.4813 16.71751 0.2991943      23.60108 
1 1 1 4   1   16 o 285.8327 12.49504 1963.563       170.3364 1987.293       240.6336 1939.730       241.1513 286.7990 17.63500 283.2882 17.89692 3.510864       25.12554 
1 1 1 4   1   17 o 410.7529 15.92557 4062.939       312.1479 4026.695       442.6448 4098.792       440.2525 407.3442 22.82051 411.0742 22.48694 -3.730011      32.03807 
1 1 1 4   1   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   1   19 o 212.4436 15.08470 1090.668       152.2140 1089.638       203.8172 1091.968       228.8827 211.3965 20.42060 211.0609 23.05745 0.3356476      30.80011 
1 1 1 4   1   20 o 284.1604 13.82648 1945.322       187.2741 1967.760       270.6717 1924.717       259.3802 284.5981 20.02085 281.5949 19.38481 3.003113       27.86764 
1 1 1 4   1   21 o 267.1937 13.63211 1721.399       173.5642 2031.397       255.2104 1454.643       236.7423 289.3074 18.54917 244.1868 20.46708 45.12064       27.62197 
1 1 1 4   1   22 o 130.1377 22.40466 423.8049       134.3676 450.0595       170.6400 380.9592       217.9876 132.9046 27.75259 121.8122 35.35837 11.09233       44.94909 
1 1 1 4   1   23 f 136.6818 18.08595 460.7425       115.2869 397.5520       174.4345 509.7536       153.6220 124.0958 29.78138 142.5488 23.34908 -18.45303      37.84323 
1 1 1 4   1   24 o 172.3034 15.67860 724.6401       127.7414 664.0380       193.6519 771.3232       169.9643 162.0179 25.87023 176.5611 20.51676 -14.54321      33.01827 
1 1 1 4   1   25 o 411.4228 14.29631 4101.906       280.7762 3951.141       352.9945 4361.590       463.2748 401.9880 18.41627 419.6934 23.17864 -17.70544      29.60420 
1 1 1 4   1   26 o 209.9555 16.65331 1080.169       165.7931 706.2868       297.5485 1248.513       199.6592 160.7471 39.09811 225.1169 18.72050 -64.36983      43.34881 
1 1 1 4   1   27 o 173.1308 19.16507 743.9822       155.9798 761.6127       203.8217 719.0633       242.3163 172.8742 25.41944 165.1201 31.84962 7.754120       40.74980 
1 1 1 4   1   28 o 117.6341 22.28539 353.9963       120.7452 370.1717       192.3546 343.4781       155.1122 117.5152 32.92707 114.0714 28.52036 3.443825       43.56148 
1 1 1 4   1   29 o 205.2698 18.13418 1043.566       176.1352 764.0573       236.8583 1389.339       263.4426 170.1109 30.23150 234.2792 23.85266 -64.16823      38.50835 
1 1 1 4   1   30 o 69.06413 27.28222 79.28412       133.1057 -562.2874      331.6722 202.4489       145.3215 64.29516 31.54425 89.21217 29.39492 -24.91701      43.11730 
1 1 1 4   1   31 o 123.7714 23.01595 396.5451       131.1824 612.6451       217.7461 273.4237       164.3576 150.4935 31.28565 101.1684 31.03059 49.32510       44.06461 
1 1 1 4   1   32 o 100.9465 26.80348 271.9033       131.5119 319.4846       219.3329 245.1946       164.3283 108.4442 36.12636 96.38085 31.22700 12.06339       47.75185 
1 1 1 4   1   33 o 194.5222 20.46107 962.5773       187.4396 376.0761       398.5514 1129.144       212.3949 117.5610 46.95855 210.2269 21.43175 -92.66589      51.61808 
1 1 1 4   1   34 o 49.62041 22.64380 -58.45725      119.2241 -353.0568      216.1047 70.44277       142.9469 52.42091 25.66534 68.10703 27.79181 -15.68612      37.82981 
1 1 1 4   1   35 o 183.9768 18.10032 859.4589       157.1461 918.6760       259.2297 825.0546       197.5912 180.7132 31.12772 176.4254 24.05164 4.287735       39.33721 
1 1 1 4   1   36 o 84.32584 34.36328 163.4115       218.1801 -149.4516      389.0043 306.9984       263.5328 80.19125 37.99368 100.8010 38.79294 -20.60975      54.29928 
1 1 1 4   1   37 o 93.88134 28.77444 262.7613       141.3591 -292.8454      241.5683 552.0895       174.3218 56.56118 27.57141 138.1931 27.35349 -81.63187      38.83807 
1 1 1 4   1   38 o 88.94837 32.92028 250.7013       185.6040 379.7764       249.3631 90.37017       277.9201 102.4773 38.11476 78.33932 35.27641 24.13800       51.93419 
1 1 1 4   1   39 o 81.70187 30.70256 216.7150       162.6550 -469.2580      447.7976 320.9775       174.5791 67.25186 33.61360 95.92609 32.23516 -28.67422      46.57230 
1 1 1 4   2   0  o 669.8380 7.701522 10742.85       246.6350 10660.68       348.6039 10825.20       348.9856 666.7245 10.93647 671.8637 10.86471 -5.139160      15.41585 
1 1 1 4   2   1  o 377.3654 6.508200 3407.973       117.4171 3398.679       175.7173 3415.470       157.8256 376.4568 9.771433 377.6078 8.742350 -1.151093      13.11143 
1 1 1 4   2   2  o 206.7100 6.899251 1023.852       68.08678 1001.005       138.1507 1031.183       78.25009 203.5853 14.28443 207.3723 7.907191 -3.786942      16.32693 
1 1 1 4   2   3  o 476.1819 17.13224 5470.603       389.3921 5561.140       550.6364 5380.034       550.7308 477.9497 24.17615 469.9339 24.59852 8.015808       34.49019 
1 1 1 4   2   4  o 412.8510 9.035125 4083.790       178.3347 4119.657       197.1061 3921.931       418.7135 414.5594 9.945004 401.7785 21.88084 12.78085       24.03486 
1 1 1 4   2   5  o 364.2130 8.821168 3178.265       153.5995 3231.982       172.9043 2977.198       334.5177 367.0411 9.862261 350.2739 20.05962 16.76727       22.35291 
1 1 1 4   2   6  o 224.8575 10.53061 1215.548       112.8915 1322.128       159.3944 1108.275       159.9124 233.9830 14.31742 213.9078 15.74715 20.07513       21.28288 
1 1 1 4   2   7  o 43.66953 13.11218 46.27333       29.56185 86.52454       50.71574 25.55964       36.38162 59.19075 17.01684 38.37958 14.49912 20.81117       22.35615 
1 1 1 4   2   8  o 261.4448 9.284866 1641.792       115.8708 1838.238       209.7255 1555.483       139.0136 275.4105 15.99689 254.1478 11.47053 21.26270       19.68435 
1 1 1 4   2   9  o 41.99114 13.99453 40.21891       32.91267 38.15738       38.36668 45.96319       64.04386 42.59074 15.07556 50.86220 19.23210 -8.271461      24.43657 
1 1 1 4   2   10 o 152.4487 9.740273 560.5897       70.61966 540.3667       99.61368 581.0233       100.1309 148.9104 14.16249 154.5503 13.69314 -5.639847      19.69970 
1 1 1 4   2   11 o 607.6870 21.45437 9047.073       622.3322 9296.180       880.2578 8798.134       879.9634 608.6981 30.34388 591.2996 31.23865 17.39856       43.55002 
1 1 1 4   2   12 o 255.3703 11.57172 1571.417       140.9116 1595.825       199.3017 1547.019       199.2564 256.3435 16.34742 252.3131 16.61064 4.030350       23.30561 
1 1 1 4   2   13 o 503.8071 10.35486 6090.762       249.4118 5824.212       601.2753 6146.157       274.1059 487.1435 25.91034 505.9015 11.33298 -18.75800      28.28042 
1 1 1 4   2   14 o 36.33875 14.87549 10.83783       41.11317 30.03787       58.25698 -8.212422      58.02930 46.14847 18.10414 38.96564 16.88358 7.182823       24.75511 
1 1 1 4   2   15 f 450.0804 10.28911 4854.694       221.3994 5003.189       249.8141 4311.064       477.9836 456.6317 11.45211 421.1603 23.83601 35.47134       26.44440 
1 1 1 4   2   16 o 129.5322 11.74925 405.6093       71.96996 326.4299       101.0221 487.2132       102.5571 114.8962 19.05835 141.5639 15.40119 -26.66767      24.50342 
1 1 1 4   2   17 o 289.2570 13.29702 2012.451       183.3932 2108.070       269.4717 1929.952       250.3024 295.0974 19.20459 282.4066 18.64309 12.69077       26.76529 
1 1 1 4   2   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   2   19 o 306.9243 14.35782 2268.754       210.0985 2458.534       304.7408 2096.829       290.0515 318.4184 20.12105 293.8214 20.78235 24.59695       28.92685 
1 1 1 4   2   20 o 893.3945 30.66631 19607.02       1307.883 19980.71       1850.151 19233.74       1849.101 889.7578 43.62676 872.0045 44.50124 17.75336       62.31898 
1 1 1 4   2   21 o 194.3959 15.17212 915.3531       139.8913 921.2907       202.0032 909.8813       193.9169 193.5949 22.22784 192.5647 21.42589 1.030182       30.87306 
1 1 1 4   2   22 o 103.2836 22.50660 269.5804       107.9869 348.9550       168.9745 214.7826       140.3983 116.6702 30.09599 93.19655 28.69706 23.47360       41.58473 
1 1 1 4   2   23 o 184.1968 15.34645 825.0021       133.9178 958.9974       205.0053 725.2616       176.8708 197.0043 22.14941 171.0035 22.15451 26.00089       31.32760 
1 1 1 4   2   24 o 58.55373 25.37216 -11.57326      131.0610 6.388393       164.0936 -43.21803      217.8058 67.28799 28.76241 72.72014 32.07674 -5.432144      43.08356 
1 1 1 4   2   25 o 98.78761 23.57831 250.3018       109.8075 519.8337       178.6346 86.59911       139.2158 142.2054 27.26675 72.02757 28.06499 70.17780       39.12952 
1 1 1 4   2   26 o 156.0150 17.17125 600.1992       125.9634 761.2506       199.3333 493.1321       162.5269 173.3574 24.75279 138.6829 25.45047 34.67456       35.50249 
1 1 1 4   2   27 o 386.4230 16.22729 3644.390       299.1230 3651.022       431.3323 3638.246       415.1776 382.3649 23.71198 382.2940 22.81965 0.7089233E-01  32.90889 
1 1 1 4   2   28 o 136.9392 23.59797 479.4879       148.9175 1084.225       323.5171 316.9057       167.7453 201.3804 34.86447 109.3767 30.78511 92.00368       46.51080 
1 1 1 4   2   29 o 339.8054 15.80107 2825.149       255.9967 2781.856       375.1567 2862.874       350.1985 332.4297 23.76172 338.6329 21.74595 -6.203156      32.21033 
1 1 1 4   2   30 o 160.2139 23.01292 655.7123       171.2184 799.7599       224.1144 453.7728       265.3549 174.8826 27.72903 127.0570 39.50802 47.82558       48.26782 
1 1 1 4   2   31 o 119.2929 24.58939 372.7104       135.5757 344.4344       221.1665 389.7320       171.5974 112.2027 36.21663 120.0046 29.99417 -7.801941      47.02440 
1 1 1 4   2   32 o 233.9564 16.51533 1353.186       183.5399 1175.931       284.3264 1479.815       240.3177 210.9956 28.94850 242.3303 20.94842 -31.33467      35.73306 
1 1 1 4   2   33 o 188.2760 27.12960 938.8015       237.1621 1127.175       415.1099 847.5187       288.9667 190.3036 46.11449 172.4417 36.20557 17.86186       58.62925 
1 1 1 4   2   34 o 111.6892 26.04960 338.8139       136.5329 457.1857       251.6241 289.4200       162.5418 123.3580 38.49021 101.7929 30.78651 21.56510       49.28799 
1 1 1 4   2   35 o 221.5855 17.55186 1239.095       184.4222 821.7581       303.3817 1483.702       232.2631 163.4919 39.30102 240.4208 20.39931 -76.92889      44.27982 
1 1 1 4   2   36 o 78.08978 28.26919 157.5603       135.7094 10.58766       259.4151 212.9377       159.2367 76.18453 34.21260 87.57886 30.73722 -11.39433      45.99216 
1 1 1 4   2   37 o 115.4114 29.53835 399.6445       163.6485 1177.131       445.0632 278.0936       175.9764 166.9324 51.03667 95.05463 32.36185 71.87775       60.43204 
1 1 1 4   2   38 o 75.54283 31.55346 129.6037       190.1423 571.2701       266.1762 -330.6283      271.7130 124.4344 39.68885 58.28904 28.58802 66.14534       48.91299 
1 1 1 4   2   39 f 144.8763 24.43827 614.2823       163.2523 316.1919       292.0624 749.7404       196.8811 90.89741 38.59682 156.9896 27.21758 -66.09220      47.22829 
1 1 1 4   3   0  o 477.7787 7.169009 5464.565       163.7549 5453.487       231.4395 5475.671       231.7295 476.9505 10.14976 477.9207 10.14185 -0.9701843     14.34833 
1 1 1 4   3   1  o 180.3788 6.676891 779.7808       57.48015 787.8740       81.27036 771.6801       81.30807 181.0835 9.419774 179.1975 9.524807 1.886047       13.39605 
1 1 1 4   3   2  o 297.7997 8.422887 2125.766       119.8001 0.000000       0.000000 2125.766       119.8001 ?        ?        297.7997 8.422887 0.000000       8.422887 
1 1 1 4   3   3  o 470.1425 16.92840 5332.489       379.8782 5256.427       537.0925 5408.628       537.3655 464.5392 24.26761 471.3563 23.92406 -6.817108      34.07752 
1 1 1 4   3   4  o 218.5444 6.977664 1144.468       72.81170 1137.694       102.5698 1151.349       103.3776 217.6323 9.883770 218.9352 9.902118 -1.302856      13.99074 
1 1 1 4   3   5  f 708.0843 24.31264 12212.00       821.8275 11958.01       1161.983 12466.21       1162.496 693.7065 35.15067 708.8895 34.40355 -15.18298      49.18510 
1 1 1 4   3   6  o 471.6561 9.451554 5333.207       213.1263 5376.258       232.7127 5109.268       530.7515 473.4303 10.28148 457.3160 24.36333 16.11429       26.44391 
1 1 1 4   3   7  o 466.1006 16.93380 5253.820       376.7210 5565.783       532.7211 4941.757       532.8068 477.2749 23.41806 449.0126 24.91778 28.26227       34.19505 
1 1 1 4   3   8  o 130.0954 8.858161 407.7584       54.76655 422.1239       74.30859 390.6765       81.03044 131.9719 11.90527 126.6450 13.59555 5.326958       18.07137 
1 1 1 4   3   9  o 93.71960 10.95554 214.0287       48.16263 288.2939       75.95282 164.0842       62.28672 108.2072 15.09183 80.85679 16.66705 27.35046       22.48453 
1 1 1 4   3   10 o 259.4517 11.60606 1623.816       143.5981 1742.288       202.0562 1502.916       204.1164 267.7397 15.85624 248.1998 17.31006 19.53989       23.47464 
1 1 1 4   3   11 o 458.3852 16.90421 5103.446       369.8191 5333.743       522.5748 4872.393       523.4325 465.1883 23.57379 443.8722 24.76393 21.31610       34.19029 
1 1 1 4   3   12 o 335.1102 9.526469 2697.606       152.4709 2773.999       178.0052 2487.149       295.4529 339.5554 10.97956 319.2803 19.44790 20.27502       22.33319 
1 1 1 4   3   13 o 169.8043 10.39393 694.5114       83.97520 747.1594       118.1044 640.6801       119.4243 175.5932 14.18934 162.2715 15.58506 13.32167       21.07680 
1 1 1 4   3   14 o 405.7584 15.36100 3967.913       297.4476 4150.816       420.5917 3784.900       420.7171 413.4697 21.34921 394.4647 22.40074 19.00500       30.94482 
1 1 1 4   3   15 o 160.9998 10.90754 624.2405       83.46204 651.3759       117.0761 596.1995       119.0141 163.9362 15.10755 156.6214 16.12433 7.314835       22.09598 
1 1 1 4   3   16 o 267.0601 12.19202 1714.192       155.2551 1837.617       219.1354 1589.798       219.9948 275.8908 16.69180 256.3143 18.06854 19.57648       24.59855 
1 1 1 4   3   17 o 387.4836 15.49687 3614.772       286.5028 3585.474       404.6423 3644.225       405.7122 384.4996 22.10555 387.6782 21.97967 -3.178619      31.17309 
1 1 1 4   3   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   3   19 o 313.6976 13.55579 2367.891       202.8233 2142.078       302.7611 2551.741       273.1847 296.8314 21.47977 324.9453 17.65108 -28.11395      27.80182 
1 1 1 4   3   20 o 147.6853 20.28281 536.9067       139.4314 256.5691       266.1565 642.9430       163.6906 109.4865 39.59552 161.5375 21.74737 -52.05101      45.17470 
1 1 1 4   3   21 o 355.0789 15.37679 3041.929       260.4162 2923.300       369.3371 3159.215       367.2403 346.2726 22.43053 360.3327 21.41418 -14.06012      31.01122 
1 1 1 4   3   22 o 200.5946 15.44446 976.0298       146.9758 1070.459       210.3013 885.8697       205.4925 208.8060 21.36740 189.2878 23.19119 19.51817       31.53406 
1 1 1 4   3   23 o 90.33001 29.17911 198.2753       143.5470 309.7687       171.3159 -64.48302      262.9973 109.9551 31.16750 78.97710 35.02213 30.97798       46.88243 
1 1 1 4   3   24 o 113.8990 27.59675 334.4480       148.6773 335.6558       179.5962 331.8177       265.0402 113.8208 31.78895 116.1291 39.71175 -2.308365      50.86807 
1 1 1 4   3   25 o 408.7228 16.67657 4066.127       325.1853 4044.002       462.8839 4087.688       456.9367 403.7166 24.09167 406.1768 23.63264 -2.460266      33.74775 
1 1 1 4   3   26 o 196.4334 15.73449 943.5934       146.5319 1020.629       222.3079 884.4116       194.8509 201.6716 23.49653 188.0919 22.08872 13.57973       32.24901 
1 1 1 4   3   27 o 320.8782 15.27859 2508.909       233.7128 2426.284       340.7612 2582.298       321.1496 311.8152 23.02065 322.9024 20.91561 -11.08722      31.10327 
1 1 1 4   3   28 o 198.0360 16.05890 962.5275       150.7402 1069.333       232.6784 885.2781       197.8817 205.5981 24.13039 187.5277 22.52162 18.07047       33.00757 
1 1 1 4   3   29 o 85.96416 30.37500 174.7107       155.6988 -72.90804      197.4930 581.3677       253.0894 65.68653 29.64374 145.1908 36.50436 -79.50428      47.02467 
1 1 1 4   3   30 o 128.1496 22.46443 421.8435       132.6176 486.7630       217.3726 383.3528       167.3768 133.0179 34.04276 119.5246 29.47791 13.49332       45.03173 
1 1 1 4   3   31 o 183.2785 18.19682 837.9490       157.3432 492.1211       241.9098 1091.526       207.1467 132.0078 36.90320 207.9753 21.12614 -75.96753      42.52246 
1 1 1 4   3   32 o 216.1032 19.55211 1170.956       199.8222 1346.836       269.8186 957.3275       297.3683 228.5703 25.10398 186.3141 34.65944 42.25623       42.79587 
1 1 1 4   3   33 o 133.1374 27.59266 477.0142       169.8562 0.1509964E-02  398.6135 582.8447       187.7554 93.93037 42.27656 147.4942 27.64157 -53.56379      50.51103 
1 1 1 4   3   34 o 79.49749 28.69554 154.7161       139.7065 101.9692       239.0373 182.0815       172.1740 83.46969 35.15411 85.89755 31.72207 -2.427864      47.35083 
1 1 1 4   3   35 o 75.74136 31.52811 88.08460       188.8865 170.6464       248.9845 -23.85270      289.9146 89.58018 36.63137 79.00941 35.76128 10.57078       51.19304 
1 1 1 4   3   36 o 129.3197 25.95888 462.7214       154.9111 307.8450       262.4310 545.5479       191.9142 101.7753 38.82591 137.6998 30.00207 -35.92446      49.06705 
1 1 1 4   3   37 o 114.0522 27.61872 380.2949       148.9768 -319.0324      269.0179 689.6218       178.9162 59.38635 28.98088 157.5657 24.55058 -98.17935      37.98187 
1 1 1 4   3   38 o 88.18933 35.77759 235.2569       235.2675 91.06374       452.7528 288.5951       275.3643 88.00642 41.48251 93.69624 38.44244 -5.689819      56.55634 
1 1 1 4   3   39 o 77.71787 29.11527 184.9373       146.0321 -345.2046      258.7986 432.5855       176.8819 54.60303 26.99370 113.5633 31.48490 -58.96027      41.47239 
1 1 1 4   4   0  o 81.14231 7.011603 158.7941       26.93365 153.8368       37.58891 164.0249       38.61154 79.46308 10.12388 82.10394 10.04560 -2.640862      14.26209 
1 1 1 4   4   1  o 179.1367 9.339369 771.1473       79.70914 762.8718       112.7007 779.4302       112.7508 177.6796 13.36521 179.6285 13.22179 -1.948898      18.80012 
1 1 1 4   4   2  o 543.5703 19.05809 7147.133       494.5053 0.000000       0.000000 7147.133       494.5053 ?        ?        543.5703 19.05809 0.000000       19.05809 
1 1 1 4   4   3  o 361.4802 13.86691 3146.011       239.2029 3190.129       338.1109 3101.802       338.4573 362.7350 19.56916 357.5843 19.87601 5.150757       27.89280 
1 1 1 4   4   4  o 199.0221 8.102310 950.3286       76.93247 952.9539       94.56973 945.1920       132.2853 199.1108 9.966250 197.7521 14.08426 1.358704       17.25377 
1 1 1 4   4   5  o 211.8469 10.17083 1078.881       102.7109 1081.632       145.0123 1076.113       145.4992 211.5182 14.42633 210.9609 14.51461 0.5573120      20.46443 
1 1 1 4   4   6  o 432.9539 9.432098 4494.973       195.2353 4449.204       460.0206 4505.028       215.6171 427.0086 22.61432 433.2898 10.40870 -6.281189      24.89475 
1 1 1 4   4   7  o 340.2762 9.022451 2778.677       146.6497 2772.826       166.9849 2798.408       306.6351 339.7180 10.29323 339.2353 18.98227 0.4826660      21.59345 
1 1 1 4   4   8  o 428.7991 7.446476 4406.389       152.6557 4415.958       215.6470 4396.776       216.1293 428.7262 10.52095 427.7845 10.56769 0.9417114      14.91196 
1 1 1 4   4   9  f 450.5076 9.546494 4874.112       205.6148 4948.069       226.8967 4534.424       486.2712 453.7022 10.46042 428.7762 23.81491 24.92606       26.01097 
1 1 1 4   4   10 f 257.5542 11.38396 1599.712       139.8287 1519.910       196.7597 1681.136       198.7505 249.8052 16.56866 262.9660 15.88290 -13.16075      22.95184 
1 1 1 4   4   11 o 84.43636 13.42835 176.1104       52.39436 258.5339       86.96411 129.1436       65.64624 101.5985 18.58855 71.57896 18.90522 30.01955       26.51305 
1 1 1 4   4   12 o 97.66811 13.12754 233.7533       59.74696 327.8258       97.44595 177.0861       75.63074 114.9057 18.35573 83.76550 19.28464 31.14020       26.62386 
1 1 1 4   4   13 o 158.0746 10.47890 602.1793       78.74585 662.5770       108.8578 535.8820       114.0505 165.3646 13.89767 148.1654 16.37342 17.19922       21.47636 
1 1 1 4   4   14 o 267.7477 9.774105 1720.503       124.9055 1820.006       154.6745 1533.981       211.7706 275.1485 11.78556 251.6181 17.71743 23.53044       21.27925 
1 1 1 4   4   15 f 286.6704 10.07337 1971.658       137.8449 2045.881       169.7459 1827.931       236.2115 291.7784 12.19541 274.8742 18.07488 16.90414       21.80434 
1 1 1 4   4   16 o 97.53133 19.32263 237.2303       86.91195 304.6450       118.4546 158.6190       127.9138 110.1962 23.21805 82.88161 27.58812 27.31458       36.05804 
1 1 1 4   4   17 f 151.9412 17.79569 563.3779       126.8239 492.0251       209.9193 604.3923       159.1532 139.1018 32.20185 156.6805 21.83943 -17.57869      38.90913 
1 1 1 4   4   18 o 727.4302 12.87798 12700.99       447.8654 12299.49       1201.191 12765.82       482.6702 705.4417 35.73215 729.0517 13.84790 -23.60999      38.32168 
1 1 1 4   4   19 o 574.8257 20.64205 7996.947       566.3587 8154.194       799.9285 7838.892       801.9798 576.9866 29.09248 565.3719 29.77519 11.61469       41.62852 
1 1 1 4   4   20 o 164.7879 16.42832 660.4550       127.7049 583.3427       177.7036 742.8117       183.6470 152.9384 25.17911 173.6074 22.66704 -20.66899      33.87893 
1 1 1 4   4   21 o 314.3813 13.97214 2382.008       209.4796 2692.096       295.8189 2070.110       296.6806 333.2306 18.64265 291.3817 21.44729 41.84888       28.41716 
1 1 1 4   4   22 o 314.5796 14.26828 2388.694       214.0319 2649.424       319.4558 2176.328       288.3086 329.7268 20.36445 298.7411 20.30690 30.98572       28.75901 
1 1 1 4   4   23 o 135.6178 23.17121 461.8639       144.8441 403.6654       176.8838 580.3147       252.3486 125.0691 29.97357 148.7855 35.89275 -23.71642      46.76221 
1 1 1 4   4   24 o 117.3793 33.15599 358.3447       194.2183 306.1465       281.1839 405.9689       268.5816 114.0881 40.76766 125.2360 39.85917 -11.14789      57.01539 
1 1 1 4   4   25 o 211.9648 21.17986 1113.143       211.7615 1345.560       303.0067 891.2532       296.0657 230.3620 28.09308 183.9331 34.94551 46.42896       44.83759 
1 1 1 4   4   26 o 269.5819 16.15899 1774.472       207.3077 1760.884       276.4944 1791.918       313.2971 266.2273 21.91722 267.1801 24.81042 -0.9528809     33.10471 
1 1 1 4   4   27 o 240.6376 15.64625 1415.053       179.0280 1370.928       256.5631 1456.927       249.9346 233.8015 23.26120 241.7298 21.86269 -7.928268      31.92273 
1 1 1 4   4   28 o 64.62092 26.16532 53.27197       125.5528 5.072934       187.7965 92.22736       168.8309 70.57149 30.47523 76.63293 30.57889 -6.061447      43.17185 
1 1 1 4   4   29 o 59.89021 25.09782 24.93175       120.8941 -18.52485      192.5462 53.21192       155.3274 69.08833 30.32814 69.72086 28.76663 -0.6325302     41.80090 
1 1 1 4   4   30 o 278.6601 15.55238 1905.424       206.3733 1894.428       307.2721 1914.461       278.5493 273.2364 23.75806 276.2729 21.25218 -3.036499      31.87634 
1 1 1 4   4   31 o 46.38876 22.60559 -268.2956      162.0276 -281.1853      203.0363 -245.6921      268.8687 53.95906 26.05974 66.78741 31.62646 -12.82835      40.97979 
1 1 1 4   4   32 o 136.1962 26.97378 492.1716       169.4221 283.3059       373.7561 546.1879       190.0714 111.7372 45.18016 142.7169 28.85015 -30.97963      53.60577 
1 1 1 4   4   33 o 204.1539 19.68298 1052.759       189.7342 1654.847       393.1606 869.9681       216.6292 244.0412 34.67214 182.1237 25.58395 61.91751       43.08939 
1 1 1 4   4   34 f 68.54567 27.64355 77.98497       139.5146 -298.2111      231.2764 293.1949       174.9264 57.20868 27.67388 102.1354 32.12506 -44.92672      42.40121 
1 1 1 4   4   35 o 147.5594 28.55952 603.9344       194.1939 295.7728       252.0601 1053.965       304.6043 102.2817 38.26506 190.2584 34.76839 -87.97664      51.70160 
1 1 1 4   4   36 o 114.1800 28.42385 372.5936       154.5522 650.6744       258.9317 218.6905       192.6298 143.9975 37.31180 89.61730 33.46655 54.38024       50.12165 
1 1 1 4   4   37 o 180.5509 20.46202 866.9642       173.5164 891.1551       282.5264 852.3134       219.8688 166.0572 36.57710 172.3019 27.62412 -6.244675      45.83641 
1 1 1 4   4   38 o 53.38110 25.73165 -192.4356      195.6904 -479.4672      254.6271 221.7203       305.8593 51.47322 25.66798 88.87366 38.63314 -37.40044      46.38281 
1 1 1 4   4   39 f 76.96088 31.01130 175.3065       175.4179 1404.828       452.1088 -42.59328      190.3283 165.1895 51.60135 59.40523 27.64018 105.7843       58.53783 
1 1 1 4   5   0  o 263.6562 6.833898 1665.624       86.06936 1671.564       121.3107 1659.602       122.1344 263.8208 9.634109 262.8609 9.735422 0.9598999      13.69651 
1 1 1 4   5   1  o 198.6816 7.606043 946.8937       72.11439 1013.650       88.18696 812.1477       125.2896 205.4373 9.000609 183.1033 14.42885 22.33398       17.00596 
1 1 1 4   5   2  o 197.7164 6.459884 936.8067       60.98069 717.0740       121.2535 1011.199       70.55226 171.9111 14.90004 205.3649 7.196944 -33.45384      16.54712 
1 1 1 4   5   3  o 469.4827 6.654360 5277.024       149.3600 5203.754       220.5640 5339.079       202.9834 465.7749 9.904902 471.9334 8.996455 -6.158508      13.38071 
1 1 1 4   5   4  o 394.7545 14.82868 3759.864       279.3606 3784.408       394.8381 3735.261       395.3135 394.2111 21.02596 391.5780 21.19517 2.633118       29.85508 
1 1 1 4   5   5  o 203.9008 9.994574 1000.020       97.13291 952.5992       137.0329 1047.906       137.7029 198.2995 14.55564 208.1460 13.91776 -9.846497      20.13879 
1 1 1 4   5   6  o 451.3973 9.173715 4887.901       197.9760 5028.610       218.0358 4227.031       472.5241 457.7043 9.964019 414.9368 23.92095 42.76752       25.91319 
1 1 1 4   5   7  o 553.2817 9.782649 7350.646       258.7683 7469.659       278.7320 6607.977       696.2872 557.5644 10.45643 515.3943 28.36733 42.17004       30.23314 
1 1 1 4   5   8  f 354.6716 13.83954 3040.754       234.2189 3106.759       330.7347 2974.349       331.7386 356.5833 19.47431 348.6797 19.98406 7.903564       27.90361 
1 1 1 4   5   9  o 284.9962 11.92196 1959.733       162.0820 1840.904       227.6866 2081.815       230.7818 274.7540 17.42320 292.5124 16.57024 -17.75842      24.04456 
1 1 1 4   5   10 o 108.4101 10.16514 284.8705       52.07100 280.0810       69.69335 290.9226       78.34209 106.8289 13.98082 108.5934 15.53161 -1.764473      20.89723 
1 1 1 4   5   11 o 89.83074 12.08790 197.6044       50.59761 249.6083       77.56686 159.0868       66.75565 100.2413 16.77774 79.45517 17.99296 20.78613       24.60161 
1 1 1 4   5   12 o 182.0007 10.31222 797.5301       89.36201 797.1937       124.3253 797.8897       128.5337 181.3375 14.46016 181.3286 14.95959 0.8987427E-02  20.80590 
1 1 1 4   5   13 o 326.7577 8.382766 2559.481       130.8467 2616.883       180.6387 2496.115       189.7906 330.0027 11.46688 322.1539 12.34547 7.848816       16.84933 
1 1 1 4   5   14 o 250.4848 11.77243 1508.452       140.5850 1591.892       197.4405 1422.644       200.2231 256.6986 16.17025 242.4057 17.39238 14.29288       23.74809 
1 1 1 4   5   15 o 324.3707 10.36276 2523.944       160.4973 2619.724       193.9154 2315.629       285.9791 330.2410 12.30362 309.2954 19.43812 20.94565       23.00477 
1 1 1 4   5   16 o 374.3432 10.64586 3361.240       190.3346 3386.350       252.3270 3328.092       289.9188 375.2616 14.08942 371.6308 16.35768 3.630737       21.58901 
1 1 1 4   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   5   18 o 341.7771 12.92285 2808.033       210.7787 2871.369       269.5735 2708.401       338.1072 345.0329 16.38897 334.0450 21.28166 10.98792       26.86089 
1 1 1 4   5   19 o 644.5646 13.02258 9976.885       401.3026 10097.07       982.4982 9952.817       439.6486 640.2778 32.19965 643.4872 14.29083 -3.209473      35.22847 
1 1 1 4   5   20 o 115.4770 20.78098 332.3194       110.5099 136.2865       150.6720 560.5494       162.5752 81.76630 29.75991 150.2328 23.39664 -68.46651      37.85572 
1 1 1 4   5   21 o 232.4132 14.40743 1305.069       159.2997 1465.883       222.3919 1135.609       228.2916 245.4242 19.10403 215.0221 22.54214 30.40216       29.54847 
1 1 1 4   5   22 o 609.2742 13.47245 8937.709       392.4349 9408.615       909.0710 8829.854       435.0609 615.0272 31.01697 605.0535 15.04000 9.973694       34.47106 
1 1 1 4   5   23 o 162.1439 20.00119 649.2012       151.7646 713.3895       183.8095 511.7175       269.0081 169.1572 23.35059 139.2649 38.90917 29.89230       45.37812 
1 1 1 4   5   24 o 281.5375 14.73797 1921.958       197.6821 2441.885       298.6610 1516.577       263.7177 315.6797 19.89010 247.5812 22.52630 68.09848       30.05079 
1 1 1 4   5   25 o 228.5852 14.84140 1271.323       161.3159 1401.590       232.3178 1150.033       224.1706 238.1841 20.60388 215.0470 22.11909 23.13701       30.22869 
1 1 1 4   5   26 o 227.2146 15.14150 1259.336       163.5415 1373.899       236.1198 1153.702       226.7312 235.1623 21.23019 214.8792 22.39876 20.28308       30.86139 
1 1 1 4   5   27 o 141.3593 20.95704 503.0681       137.3495 74.55513       192.6862 945.7012       195.8351 78.31101 32.14681 194.4931 21.41494 -116.1821      38.62664 
1 1 1 4   5   28 o 62.35975 25.86699 34.73920       126.5120 -12.19120      180.0979 80.45663       177.7552 67.60208 29.51172 76.51047 31.07692 -8.908386      42.85693 
1 1 1 4   5   29 o 199.6727 20.72824 998.7821       194.9986 527.3934       241.4717 1882.445       330.6129 138.1589 36.14807 271.6998 25.75970 -133.5409      44.38744 
1 1 1 4   5   30 o 106.7680 36.91420 299.5929       229.2075 699.3298       332.1732 -63.72073      316.6783 154.2472 43.28788 83.46254 37.61328 70.78464       57.34631 
1 1 1 4   5   31 o 121.5904 30.01413 401.4153       173.4065 85.93358       342.5265 510.1371       201.0784 95.20055 41.13443 136.6746 31.42968 -41.47401      51.76743 
1 1 1 4   5   32 o 57.63840 26.02267 -56.72300      152.3780 -525.4697      355.6104 48.70013       168.6449 68.03523 33.22735 70.63203 29.62396 -2.596794      44.51557 
1 1 1 4   5   33 o 85.37332 30.94006 178.2205       162.6227 213.2919       375.5167 170.1248       180.4185 104.6378 44.06486 85.71161 32.30837 18.92619       54.64012 
1 1 1 4   5   34 o 61.88070 26.49309 22.21929       139.6239 -112.4438      226.9733 104.2014       177.0965 65.89706 30.49578 76.52981 31.04333 -10.63274      43.51645 
1 1 1 4   5   35 f 71.93582 30.62743 57.04631       184.7586 -363.4665      235.7510 726.4796       297.4525 54.82425 26.83458 151.6867 40.32623 -96.86241      48.43861 
1 1 1 4   5   36 o 83.92379 29.28222 192.6859       144.3873 256.1187       245.6668 159.2105       178.4646 95.52139 37.26369 81.20435 31.73684 14.31704       48.94701 
1 1 1 4   5   37 o 75.70769 29.19577 147.0048       149.4868 -27.97659      246.9369 248.2224       187.8097 70.01838 32.18885 90.46069 33.17828 -20.44231      46.22683 
1 1 1 4   5   38 o 141.1604 25.54290 575.0927       166.0377 798.0500       268.5942 437.1971       211.2325 152.4960 37.18154 112.8666 35.27333 39.62944       51.25109 
1 1 1 4   5   39 o 62.71201 28.87302 -5.284560      199.7203 -267.0209      255.8313 403.1505       319.5827 56.59708 27.75446 96.15284 40.57987 -39.55576      49.16336 
1 1 1 4   6   0  f 86.43884 7.326513 180.3380       29.99219 165.7233       41.12487 196.9428       43.83549 82.36049 10.69671 89.94923 10.38382 -7.588745      14.90782 
1 1 1 4   6   1  f 159.8835 8.990746 615.2410       68.44701 573.5797       96.73402 657.0140       96.86348 153.7215 13.29293 164.7525 12.38833 -11.03091      18.17065 
1 1 1 4   6   2  o 194.7792 6.741555 909.8444       62.68387 932.2037       88.36182 887.1926       88.93774 196.8622 9.415749 191.9998 9.720586 4.862427       13.53315 
1 1 1 4   6   3  o 124.4756 7.672845 372.7678       45.43947 0.000000       0.000000 372.7678       45.43947 ?        ?        124.4756 7.672845 0.000000       7.672845 
1 1 1 4   6   4  o 150.8526 7.107821 546.4772       51.11807 598.8469       94.40131 524.7507       60.80400 157.1858 12.66918 147.6513 8.651544 9.534470       15.34136 
1 1 1 4   6   5  o 594.9382 10.01560 8502.632       284.8768 8583.607       304.5098 7934.715       806.4261 597.5707 10.65868 563.0969 30.06424 34.47375       31.89774 
1 1 1 4   6   6  o 190.3745 7.597715 870.2587       69.01239 860.8530       96.21111 880.2272       99.04720 188.9252 10.69559 191.0149 10.89106 -2.089767      15.26469 
1 1 1 4   6   7  o 466.3421 9.610759 5224.006       214.2746 4958.320       516.7148 5279.183       235.4758 447.9503 24.21757 468.5751 10.51136 -20.62482      26.40036 
1 1 1 4   6   8  o 223.8343 8.754507 1204.267       93.50364 1061.025       151.4577 1292.482       118.8582 208.8738 15.27254 231.5810 10.76484 -22.70720      18.68508 
1 1 1 4   6   9  o 201.7895 10.22480 980.9473       98.32041 960.9460       137.6521 1001.780       140.4833 198.9225 14.57523 203.1291 14.56248 -4.206573      20.60347 
1 1 1 4   6   10 o 421.8414 9.509875 4271.022       191.7928 4341.130       213.7302 3981.131       434.6086 425.0985 10.51642 402.9024 22.65389 22.19611       24.97587 
1 1 1 4   6   11 o 387.3665 14.89357 3622.300       275.3083 3782.620       388.1066 3459.917       390.5947 394.0966 20.67098 376.4738 21.79434 17.62274       30.03802 
1 1 1 4   6   12 o 424.0040 15.83446 4337.324       320.4188 4415.051       452.3293 4259.036       453.9564 425.8882 22.29285 418.1041 22.79646 7.784027       31.88494 
1 1 1 4   6   13 o 289.2296 10.33754 2007.914       142.7149 2187.356       247.8102 1918.865       174.5712 300.8163 17.30398 282.4000 12.96461 18.41632       21.62195 
1 1 1 4   6   14 o 364.5585 14.29670 3197.213       248.6958 3251.800       349.9002 3141.481       353.5460 366.5512 20.04273 360.1315 20.62033 6.419739       28.75603 
1 1 1 4   6   15 o 206.7354 11.81065 1028.241       116.2482 1174.380       170.9252 902.4666       158.5688 220.3813 16.33891 192.8693 17.38310 27.51204       23.85649 
1 1 1 4   6   16 o 183.6314 13.64602 814.0057       118.9450 928.2935       156.3366 656.9186       183.2868 195.6960 16.87442 162.9473 24.26666 32.74872       29.55701 
1 1 1 4   6   17 o 308.2414 14.05460 2286.974       206.5730 2304.303       282.5585 2267.078       302.7636 308.4846 19.25473 305.6369 20.84475 2.847717       28.37690 
1 1 1 4   6   18 o 183.1621 14.69740 811.5609       127.6224 1013.028       165.7711 518.3853       199.9726 204.3808 17.12249 143.0094 30.19703 61.37146       34.71369 
1 1 1 4   6   19 o 404.5523 15.99190 3946.442       308.6929 3885.402       431.5935 4010.373       441.6971 399.6615 22.68092 406.0061 22.84754 -6.344604      32.19370 
1 1 1 4   6   20 o 780.2841 12.50201 14624.67       466.3810 14787.84       497.1321 13426.78       1346.955 784.3896 13.25659 731.8148 38.63536 52.57483       40.84639 
1 1 1 4   6   21 o 520.2007 19.08109 6561.814       473.7465 6349.401       667.6939 6777.160       672.2870 507.7831 27.60752 525.0538 26.87134 -17.27078      38.52589 
1 1 1 4   6   22 o 167.9350 18.77265 692.3210       148.1461 604.9246       177.0116 896.6831       270.6793 155.3296 24.65938 187.6170 31.27741 -32.28734      39.82915 
1 1 1 4   6   23 o 192.2895 15.57293 900.0271       141.9401 988.1056       195.5767 802.0052       206.3212 200.2079 20.73247 178.9515 24.77991 21.25642       32.30912 
1 1 1 4   6   24 o 185.1764 16.00378 837.5471       140.2934 763.7698       193.7177 918.9234       203.4496 174.4954 23.84383 192.0921 22.58431 -17.59673      32.84173 
1 1 1 4   6   25 o 132.3291 20.76828 439.8178       127.0691 446.4137       173.7282 432.2296       186.3394 130.9089 28.56318 128.1455 30.79853 2.763443       42.00481 
1 1 1 4   6   26 o 145.1530 19.09524 525.1262       129.3025 527.4907       183.3628 522.7875       182.3640 142.4228 27.92769 141.7827 27.89748 0.6401062      39.47436 
1 1 1 4   6   27 o 57.34842 25.38499 -32.58935      137.5594 -171.1169      279.3122 11.76974       158.0568 73.32267 33.89608 65.96183 28.21278 7.360840       44.10107 
1 1 1 4   6   28 f 160.8482 18.48715 643.9814       139.5838 672.7159       199.7487 616.5591       195.1348 161.0998 26.88127 153.7939 27.55107 7.305908       38.49239 
1 1 1 4   6   29 o 144.5533 21.01141 529.2759       140.9597 531.2913       203.4483 527.4151       195.4842 140.5782 31.09636 140.5391 30.00717 0.3909302E-01  43.21358 
1 1 1 4   6   30 o 124.4305 25.15419 406.0582       144.4878 459.7517       201.2008 348.8818       207.6238 129.4188 32.55288 112.7959 34.92633 16.62298       47.74451 
1 1 1 4   6   31 o 206.4180 17.88269 1061.379       174.7380 1051.740       245.2225 1071.321       249.0558 201.0364 26.13173 202.8160 26.30442 -1.779617      37.07816 
1 1 1 4   6   32 o 77.41814 29.06867 130.4098       145.7388 286.8076       207.3767 -22.21200      204.8580 103.3215 35.13140 69.85490 30.94675 33.46661       46.81791 
1 1 1 4   6   33 o 97.60150 30.03720 260.6848       153.8428 322.1922       222.3786 204.2274       213.0541 107.0460 36.38020 92.05688 35.01553 14.98914       50.49363 
1 1 1 4   6   34 o 93.39077 29.47074 240.6177       147.1003 216.4195       221.7810 259.6248       196.5579 92.80443 35.62041 97.01153 34.14162 -4.207100      49.34028 
1 1 1 4   6   35 o 190.1542 23.05050 954.0403       205.2799 947.6613       264.2784 963.7437       325.9438 182.6337 31.39882 175.9493 39.69521 6.684464       50.61221 
1 1 1 4   6   36 o 79.97837 32.07637 146.9182       186.7375 39.51561       233.5411 337.3159       310.9472 74.78465 33.09085 103.8638 41.48100 -29.07912      53.06297 
1 1 1 4   6   37 o 91.37647 30.03123 253.8602       151.7175 430.8005       247.5668 147.4394       191.9960 110.6505 38.35868 78.26698 32.10459 32.38351       50.02092 
1 1 1 4   6   38 o 104.3236 29.61732 342.0408       154.5770 -39.02260      249.4485 579.5836       196.9488 67.82283 31.58581 135.5778 31.05385 -67.75493      44.29452 
1 1 1 4   6   39 o 76.01168 29.87440 177.4469       158.8824 -3.678967      256.7238 289.8887       202.2738 67.62792 31.67426 89.14610 34.06740 -21.51818      46.51717 
1 1 1 4   7   0  o 166.4480 7.740640 665.6779       61.42890 617.5767       99.85270 694.9677       77.91839 159.5065 13.21245 169.8440 9.635329 -10.33742      16.35262 
1 1 1 4   7   1  o 377.7050 8.864573 3423.874       160.0733 3346.356       359.6995 3443.017       178.7488 369.7156 20.42939 378.4483 9.887817 -8.732666      22.69645 
1 1 1 4   7   2  o 414.6972 8.420778 4125.936       166.9520 4213.482       429.7294 4110.373       181.1847 414.2846 21.77284 413.7767 9.158981 0.5079346      23.62083 
1 1 1 4   7   3  o 403.4188 8.988801 3906.615       173.3669 0.000000       0.000000 3906.615       173.3669 ?        ?        403.4188 8.988801 0.000000       8.988801 
1 1 1 4   7   4  f 460.5174 6.956755 5082.219       153.1656 5045.230       229.2162 5112.058       205.8763 458.1185 10.46548 461.4081 9.332821 -3.289551      14.02240 
1 1 1 4   7   5  o 657.4241 10.44613 10389.33       328.3291 10433.70       348.1378 10032.43       987.4369 658.6064 11.05648 629.9061 32.90284 28.70038       34.71085 
1 1 1 4   7   6  o 110.4475 9.132001 294.8002       47.78979 316.9706       66.71138 271.4294       68.49380 114.0485 12.43619 105.1503 13.97020 8.898148       18.70361 
1 1 1 4   7   7  o 115.6163 9.004031 322.7008       49.37746 416.7868       69.95752 229.2962       69.70373 131.1694 11.26460 96.17182 15.70128 34.99760       19.32411 
1 1 1 4   7   8  o 159.4246 8.983953 611.6586       68.19779 528.7905       97.81110 690.0576       95.13698 147.4349 14.04601 168.9682 11.85221 -21.53331      18.37839 
1 1 1 4   7   9  o 273.6255 11.88916 1803.136       155.1595 1917.030       218.3668 1686.999       220.5061 281.2474 16.31011 263.4708 17.60676 17.77661       24.00037 
1 1 1 4   7   10 o 190.0650 9.006370 867.8785       81.60618 941.3333       104.9371 755.4814       129.8065 197.7089 11.14697 176.3758 15.55310 21.33316       19.13515 
1 1 1 4   7   11 o 114.0841 10.00076 314.4094       53.99535 267.2060       73.18444 370.8010       79.99059 104.3184 15.11379 123.4474 13.78862 -19.12898      20.45856 
1 1 1 4   7   12 o 501.5788 18.01605 6071.709       431.3215 6025.449       608.6084 6118.390       611.3624 497.2284 25.68908 501.0894 25.60456 -3.861023      36.27013 
1 1 1 4   7   13 o 367.3310 14.39444 3246.088       252.3011 3515.247       355.7556 2973.722       357.8692 381.2717 19.58241 350.1727 21.47971 31.09900       29.06628 
1 1 1 4   7   14 o 214.7539 11.36208 1108.778       116.2409 1299.567       175.7066 960.2872       155.0106 231.9514 15.94160 199.1512 16.42652 32.80019       22.89028 
1 1 1 4   7   15 o 757.1333 12.04604 13749.82       436.0386 13743.97       462.0415 13797.44       1318.370 756.8135 12.76979 746.9965 37.03109 9.817017       39.17103 
1 1 1 4   7   16 o 271.4732 13.66337 1774.166       176.7644 1892.804       243.1292 1641.140       257.4503 279.6687 18.28407 259.8217 20.90195 19.84705       27.77047 
1 1 1 4   7   17 o 392.9313 15.83227 3720.412       296.8096 3880.277       414.2848 3551.820       425.4418 399.9004 21.75088 382.0994 23.40149 17.80099       31.94888 
1 1 1 4   7   18 o 702.9072 13.01732 11865.77       437.4495 11154.66       1103.193 11998.44       476.5132 671.4056 34.48384 706.5399 14.10685 -35.13428      37.25772 
1 1 1 4   7   19 o 319.0000 14.46611 2452.698       220.0489 2315.421       303.8824 2604.035       319.0646 308.5824 20.71811 327.3871 20.48760 -18.80478      29.13729 
1 1 1 4   7   20 o 569.5839 20.52963 7875.474       558.1313 7907.050       785.3270 7843.247       793.3681 566.3967 29.09911 563.8464 29.53401 2.550293       41.46102 
1 1 1 4   7   21 o 553.4518 13.36303 7374.075       353.5845 7237.197       733.1552 7415.561       403.6269 540.9301 28.44959 554.2143 15.24779 -13.28424      32.27807 
1 1 1 4   7   22 o 103.6532 22.47682 272.4734       108.1700 316.1534       142.2182 212.5238       166.6125 111.0084 27.04915 94.22830 31.48874 16.78014       41.51141 
1 1 1 4   7   23 o 304.0069 14.45086 2238.584       209.4307 2111.315       288.2685 2380.850       304.7804 293.1989 20.69791 311.4781 20.58222 -18.27914      29.18958 
1 1 1 4   7   24 o 365.4263 14.49648 3238.148       252.7599 3428.751       386.1095 3095.213       334.3618 372.7715 21.75964 355.0906 19.77369 17.68085       29.40206 
1 1 1 4   7   25 o 95.36116 25.12419 235.0437       116.1237 98.35609       154.5723 412.1395       175.9428 75.67876 29.54806 125.1561 29.82877 -49.47735      41.98623 
1 1 1 4   7   26 o 220.4492 15.66307 1188.854       164.0046 1561.453       225.5799 771.0767       238.8648 251.5532 18.89504 171.7426 30.19307 79.81059       35.61803 
1 1 1 4   7   27 o 141.8530 20.10110 505.4782       132.5085 649.6292       179.8372 334.2617       195.9944 159.5159 24.35186 112.0132 33.79112 47.50273       41.65157 
1 1 1 4   7   28 o 282.9021 15.08865 1956.775       203.3392 2291.309       287.5859 1622.338       287.5443 303.7464 19.91360 253.1718 24.04469 50.57457       31.22017 
1 1 1 4   7   29 o 125.4944 27.78489 418.1800       162.2971 601.3716       295.0541 338.7070       194.3385 144.6124 40.87275 111.6968 33.63760 32.91567       52.93458 
1 1 1 4   7   30 o 121.8326 24.01489 387.6234       134.9039 365.0804       188.2206 411.4372       193.4527 115.2540 32.66891 122.2230 32.53394 -6.969048      46.10548 
1 1 1 4   7   31 o 76.74194 28.05018 133.7040       134.0631 248.4846       188.6254 16.53547       190.5775 97.58600 33.49749 70.97891 30.67576 26.60709       45.42119 
1 1 1 4   7   32 o 78.61662 29.16182 139.7752       145.7909 346.9311       201.9651 -85.62141      210.6693 111.4124 34.43847 65.98457 30.10708 45.42786       45.74325 
1 1 1 4   7   33 o 216.9574 18.40903 1187.844       189.1462 957.4539       263.6180 1432.297       271.5444 186.2908 30.66491 233.6780 24.67840 -47.38721      39.36192 
1 1 1 4   7   34 o 127.4255 25.75867 441.7213       151.5210 347.2966       226.1496 518.6366       204.1077 108.3429 36.68877 134.0592 32.24219 -25.71627      48.84286 
1 1 1 4   7   35 o 129.8688 25.82454 463.2092       154.6948 472.7421       237.8132 456.2168       203.6754 123.1915 37.23464 123.5888 33.59644 -0.3973083     50.15116 
1 1 1 4   7   36 o 193.3237 23.28227 1012.144       210.8615 860.8748       270.4294 1246.742       336.7762 166.3798 35.10289 198.9963 36.75232 -32.61650      50.82269 
1 1 1 4   7   37 o 168.3397 26.96115 821.9422       209.6664 951.2148       265.2971 606.8677       342.1951 173.8961 33.11971 120.6705 44.69277 53.22561       55.62696 
1 1 1 4   7   38 o 63.93491 27.52104 61.82764       152.2027 135.1095       239.3239 12.05901       197.2267 77.62386 33.95043 64.86045 29.41247 12.76340       44.91910 
1 1 1 4   7   39 o 65.54800 27.96415 94.56942       154.5720 75.46809       248.9079 106.5596       197.2060 70.73260 32.44328 69.71005 30.64397 1.022552       44.62756 
1 1 1 4   8   0  o 162.4148 9.128071 634.5491       70.59301 629.1472       99.46675 640.0315       100.2045 161.1965 13.01730 162.5966 12.99860 -1.400116      18.39602 
1 1 1 4   8   1  o 140.3683 7.612235 473.4761       50.89341 499.5107       65.37817 433.4366       81.07780 143.9767 9.552011 133.6061 12.85143 10.37059       16.01250 
1 1 1 4   8   2  o 204.5443 6.829504 1003.176       66.69227 907.8929       133.0806 1035.130       77.06835 193.5131 14.48975 207.6876 7.775433 -14.17453      16.44416 
1 1 1 4   8   3  o 33.85470 9.938524 27.95834       17.13699 0.000000       0.000000 27.95834       17.13699 ?        ?        33.85470 9.938524 0.000000       9.938524 
1 1 1 4   8   4  o 562.8423 9.743934 7602.626       262.1980 0.000000       0.000000 7602.626       262.1980 ?        ?        562.8423 9.743934 0.000000       9.743934 
1 1 1 4   8   5  o 545.1796 15.68562 7180.621       408.4115 6873.613       707.4383 7334.093       500.1827 527.2430 28.16751 549.6025 19.06469 -22.35950      34.01281 
1 1 1 4   8   6  o 451.3003 7.501364 4879.009       161.8506 4754.646       226.7276 5008.235       231.1181 445.0314 10.65627 456.7583 10.58374 -11.72693      15.01904 
1 1 1 4   8   7  o 355.8660 8.999062 3037.783       152.9831 3150.960       174.6081 2663.882       317.3683 362.2785 10.09106 330.8906 20.15748 31.38797       22.54226 
1 1 1 4   8   8  o 167.1223 8.967250 671.2668       71.38530 709.0323       94.18046 620.2750       109.4367 171.4759 11.55560 159.9119 14.47089 11.56400       18.51860 
1 1 1 4   8   9  o 206.2912 10.30593 1022.890       101.3208 938.8055       141.6243 1111.047       145.0144 196.9579 15.15678 214.5069 14.22068 -17.54893      20.78354 
1 1 1 4   8   10 o 296.4674 12.40101 2113.039       175.3809 2132.597       246.4870 2092.985       249.5942 297.0201 17.43468 294.1639 17.83122 2.856232       24.93834 
1 1 1 4   8   11 o 396.5256 14.93816 3783.887       282.6829 3700.873       398.3435 3868.104       401.2200 390.7686 21.40382 399.6071 21.07557 -8.838470      30.03835 
1 1 1 4   8   12 o 236.7679 9.402966 1344.877       106.2262 1385.114       132.0001 1270.930       178.9454 240.0753 11.53429 229.2948 16.43263 10.78046       20.07663 
1 1 1 4   8   13 o 232.0782 12.29030 1295.535       135.8795 1319.677       191.9529 1271.286       192.3731 233.5320 17.31573 229.1239 17.69876 4.408020       24.76047 
1 1 1 4   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   8   15 o 279.4483 13.35803 1879.137       177.9479 1711.321       248.0163 2057.179       255.4616 265.5965 19.67177 291.5772 18.41998 -25.98071      26.94947 
1 1 1 4   8   16 o 54.30632 23.02800 4.035373       103.7233 -301.0999      165.3132 202.1540       133.2060 46.62087 22.74402 90.95573 27.94246 -44.33487      36.02876 
1 1 1 4   8   17 o 548.3930 19.59951 7273.636       513.0344 6979.690       721.0745 7574.979       730.0900 533.7929 28.35698 556.5313 27.52505 -22.73840      39.51894 
1 1 1 4   8   18 o 403.1517 16.00637 3920.755       307.8971 3923.681       428.3917 3917.629       442.8318 401.5675 22.40263 401.0034 23.19744 0.5640564      32.24902 
1 1 1 4   8   19 o 415.5536 16.61839 4172.064       329.4941 4523.936       460.3381 3802.414       471.8242 430.9102 22.42221 393.9719 25.18176 36.93835       33.71760 
1 1 1 4   8   20 o 316.6148 14.79425 2421.571       223.3213 2564.847       308.5693 2263.983       323.6155 324.4931 19.98718 304.0503 22.42028 20.44284       30.03592 
1 1 1 4   8   21 o 220.0681 14.74730 1173.959       154.2638 1493.255       209.3720 794.7854       228.1608 247.5835 17.80735 177.4106 27.81355 70.17282       33.02568 
1 1 1 4   8   22 o 234.1105 14.59786 1329.321       162.5743 1517.204       222.0033 1112.046       238.7374 249.0350 18.78470 211.3574 24.05372 37.67757       30.51961 
1 1 1 4   8   23 o 92.51823 28.42875 215.8604       137.8734 259.5260       232.8925 192.2996       171.0727 104.8394 37.13957 91.02635 31.86568 13.81303       48.93638 
1 1 1 4   8   24 f 274.0950 14.46976 1825.883       188.9425 2005.938       259.9500 1624.225       275.1035 285.6043 19.14844 255.3669 22.77186 30.23738       29.75266 
1 1 1 4   8   25 o 400.1749 12.38008 3875.077       236.5697 3913.760       319.0463 3827.835       352.5819 400.1836 16.71256 394.6523 18.74043 5.531250       25.11003 
1 1 1 4   8   26 o 332.7787 15.21808 2700.883       241.4753 2473.726       333.8402 2950.147       349.7073 314.8606 22.32219 344.5812 21.33239 -29.72055      30.87639 
1 1 1 4   8   27 o 189.5507 19.11775 893.7661       170.8842 997.5643       270.0052 824.4078       220.7122 195.2403 29.87500 178.7735 26.63538 16.46681       40.02448 
1 1 1 4   8   28 o 272.5316 15.38929 1819.731       199.6989 2120.715       273.9240 1478.292       291.7521 292.0417 19.73489 240.2688 25.80231 51.77296       32.48423 
1 1 1 4   8   29 o 256.5363 15.61193 1618.153       190.5693 1777.406       261.9171 1439.008       277.7944 266.1392 20.74865 236.8493 24.90478 29.28990       32.41534 
1 1 1 4   8   30 o 193.7533 17.11187 933.0385       156.8818 1176.444       218.1341 672.2404       225.7929 215.4907 21.45810 157.3706 31.11388 58.12010       37.79581 
1 1 1 4   8   31 f 56.96182 26.02920 -79.12480      158.2323 -752.8240      305.9192 166.9429       184.8847 54.98857 27.52849 86.29318 32.66600 -31.30461      42.71868 
1 1 1 4   8   32 o 70.97843 27.78171 95.43872       136.9235 308.1192       192.8880 -120.5872      194.3991 105.2606 33.80805 60.60507 28.10788 44.65555       43.96632 
1 1 1 4   8   33 o 168.3439 18.74960 721.4220       148.3450 1152.252       214.1772 324.1588       205.6646 211.2765 21.50314 106.0679 34.97026 105.2086       41.05245 
1 1 1 4   8   34 o 63.57148 26.51633 49.77401       134.0054 228.5882       187.1615 -138.3148      191.9539 91.71871 33.19901 58.02368 27.24373 33.69503       42.94642 
1 1 1 4   8   35 o 64.10522 26.82084 53.67081       137.7256 17.64621       192.2576 91.64467       197.3905 68.53932 30.18849 75.82756 31.94095 -7.288239      43.94962 
1 1 1 4   8   36 o 69.11831 27.85744 101.0833       141.5869 36.73755       201.3410 164.0333       199.1453 69.52375 30.74583 81.12870 32.91535 -11.60495      45.04139 
1 1 1 4   8   37 o 68.79996 27.94826 106.1411       143.7851 -35.01664      206.2887 239.5141       200.5197 63.55274 29.29037 87.54970 33.80036 -23.99696      44.72573 
1 1 1 4   8   38 o 104.2810 33.08227 380.3220       185.1428 452.9899       219.2732 199.8593       345.5474 110.0954 36.09911 84.26372 38.48986 25.83165       52.76945 
1 1 1 4   8   39 o 71.28773 30.67313 140.1600       188.9114 140.6873       222.8573 138.8138       356.0941 72.74792 32.25046 77.03219 36.45375 -4.284271      48.67204 
1 1 1 4   9   0  o 174.5842 9.352175 732.2885       77.77467 718.3610       109.5659 746.4338       110.4190 172.4506 13.39426 175.8289 13.23256 -3.378342      18.82835 
1 1 1 4   9   1  o 188.7324 9.493413 855.6378       85.38477 762.0242       120.3980 950.3616       121.1098 177.4995 14.30893 198.5524 12.82702 -21.05292      19.21660 
1 1 1 4   9   2  o 458.6835 6.947288 5035.839       152.3480 5012.806       222.1163 5056.303       209.3548 457.2936 10.15961 459.3499 9.533028 -2.056305      13.93184 
1 1 1 4   9   3  o 287.2416 7.036698 1974.976       96.63280 0.000000       0.000000 1974.976       96.63280 ?        ?        287.2416 7.036698 0.000000       7.036698 
1 1 1 4   9   4  o 332.9522 8.676004 2657.208       137.9875 0.000000       0.000000 2657.208       137.9875 ?        ?        332.9522 8.676004 0.000000       8.676004 
1 1 1 4   9   5  o 454.6790 13.23580 4969.128       287.4093 5176.413       497.9846 4865.596       351.9406 461.6623 22.63125 449.2492 16.41362 12.41309       27.95676 
1 1 1 4   9   6  o 213.5938 8.307083 1094.163       84.66750 1042.373       146.7686 1119.995       103.6537 207.7037 14.87877 215.9401 10.06793 -8.236450      17.96500 
1 1 1 4   9   7  o 111.5830 9.986409 300.7293       52.71140 300.4834       69.15990 301.0702       81.42258 111.0954 13.28417 110.7900 15.82099 0.3053284      20.65848 
1 1 1 4   9   8  o 846.1163 8.673317 17144.01       350.8517 17289.54       493.7686 16995.60       498.6257 848.9692 12.16531 841.6664 12.39157 7.302795       17.36507 
1 1 1 4   9   9  o 808.4171 11.53537 15669.90       445.8361 15168.20       1456.262 15721.79       468.3235 782.1981 39.06530 809.6318 12.09902 -27.43365      40.89602 
1 1 1 4   9   10 o 232.8196 11.22022 1302.408       124.5229 1482.656       174.5254 1115.498       177.7219 248.0018 14.78671 214.5872 17.47436 33.41460       22.89105 
1 1 1 4   9   11 o 693.9805 23.96405 11675.76       793.8963 11675.12       1121.819 11676.41       1123.661 689.0267 34.16133 689.0333 34.21745 -0.6652832E-02 48.35112 
1 1 1 4   9   12 o 66.24669 21.92361 101.0004       80.80814 120.7793       93.42665 42.25553       161.0106 71.99969 23.56088 71.39523 29.35531 0.6044617      37.64106 
1 1 1 4   9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   9   14 o 220.0849 12.52493 1166.121       131.2434 987.5819       183.6707 1352.390       187.6041 201.4248 19.30916 236.4549 16.70280 -35.03014      25.53091 
1 1 1 4   9   15 o 179.0149 17.60972 779.5275       148.7640 343.1689       201.2594 1305.085       220.8740 116.7976 33.99549 231.5829 20.14980 -114.7852      39.51845 
1 1 1 4   9   16 o 164.3474 14.62956 654.5524       113.7481 481.7638       154.5457 858.8002       168.0267 138.9327 24.14295 187.6730 18.98793 -48.74034      30.71520 
1 1 1 4   9   17 o 240.1392 15.57709 1394.244       177.8722 1269.851       239.6713 1546.765       265.3886 227.7477 22.29707 251.5599 22.29715 -23.81212      31.53287 
1 1 1 4   9   18 o 347.6104 13.99380 2911.977       232.0857 3164.772       350.4077 2714.413       309.7731 360.8031 20.39705 334.3184 19.46514 26.48465       28.19452 
1 1 1 4   9   19 o 186.8931 14.70962 846.9855       130.3739 960.9899       170.7528 687.6178       201.8864 198.4394 18.20083 165.5118 26.39975 32.92757       32.06583 
1 1 1 4   9   20 o 142.7554 17.38561 500.6208       116.2121 669.2539       149.7407 245.2181       184.2812 164.8883 19.36370 100.4492 33.10171 64.43913       38.34939 
1 1 1 4   9   21 o 187.6712 17.20657 861.2728       152.6668 904.2521       177.6102 739.6774       298.7420 191.6942 19.65804 166.9025 38.25851 24.79166       43.01340 
1 1 1 4   9   22 o 480.3669 18.43294 5631.509       422.5414 5930.332       592.3295 5321.885       602.9395 488.4767 25.45140 461.2271 27.46769 27.24963       37.44660 
1 1 1 4   9   23 o 201.9859 20.94907 1012.947       199.3651 1034.484       261.6394 983.1292       307.8542 201.3447 27.93159 193.0700 34.62403 8.274750       44.48592 
1 1 1 4   9   24 o 253.2357 14.89512 1562.792       179.5375 1741.859       246.9484 1362.025       261.4834 265.5975 19.58572 232.8802 23.82092 32.71727       30.83888 
1 1 1 4   9   25 o 130.9714 20.46797 432.4254       123.9705 208.2942       164.6971 725.4226       188.3070 92.05723 31.30811 169.0157 23.97609 -76.95852      39.43414 
1 1 1 4   9   26 o 271.8790 16.21634 1811.719       209.8259 2034.481       273.9831 1495.754       326.3047 286.2862 20.14637 240.5056 28.96066 45.78052       35.27884 
1 1 1 4   9   27 o 107.8746 25.04905 304.5887       126.7025 410.2893       174.5423 186.8444       184.2179 123.8542 29.83344 89.96997 32.88178 33.88422       44.39871 
1 1 1 4   9   28 o 386.5228 16.75209 3677.598       308.8304 4052.061       432.2374 3287.070       441.4113 401.0475 22.63521 358.2262 25.94967 42.82129       34.43456 
1 1 1 4   9   29 o 101.4959 26.44571 274.5092       129.5962 361.1926       168.7097 149.7328       202.4129 115.1963 30.25129 86.26434 33.77439 28.93198       45.34148 
1 1 1 4   9   30 o 120.8670 24.63123 384.6563       137.4962 278.1828       177.4674 544.5441       217.4732 101.5109 32.41061 140.0542 33.02058 -38.54332      46.26886 
1 1 1 4   9   31 o 105.0992 27.81590 299.2539       141.9253 211.8891       188.9691 412.3025       214.9586 92.09611 33.35569 120.4808 35.15227 -28.38468      48.45910 
1 1 1 4   9   32 o 103.8971 31.83846 303.5834       173.0769 96.38226       317.0086 391.5752       206.5836 90.60841 39.35961 116.2176 34.60756 -25.60917      52.41052 
1 1 1 4   9   33 f 172.5879 18.69146 760.1746       151.7688 573.0569       212.6203 954.5510       216.7050 141.0868 32.22983 189.5780 24.48055 -48.49126      40.47294 
1 1 1 4   9   34 o 88.67855 28.30914 218.5507       135.3975 494.5841       192.8900 -49.56231      190.1025 130.4888 31.31828 63.35777 28.78835 67.13100       42.53943 
1 1 1 4   9   35 o 178.4292 19.03068 828.5501       159.8383 874.5453       229.0137 784.8644       223.1899 175.3526 28.27927 164.9590 29.37739 10.39359       40.77681 
1 1 1 4   9   36 o 63.13992 26.78280 57.59894       140.3857 -136.6701      197.1141 257.5739       199.9879 56.68653 26.91212 90.63183 34.04717 -33.94529      43.39899 
1 1 1 4   9   37 o 98.85336 29.68148 310.3876       151.4795 197.5758       209.7375 433.3968       219.0119 82.19374 33.61687 110.0428 36.07735 -27.84902      49.31195 
1 1 1 4   9   38 o 83.21369 29.97237 231.6700       152.3172 525.7902       217.4558 -51.63163      213.4190 117.8523 35.60195 60.70815 28.57368 57.14418       45.65034 
1 1 1 4   10  0  o 27.94631 9.357276 17.52680       14.71185 9.617102       20.00310 26.84688       21.71336 26.88438 10.58977 34.35268 11.36428 -7.468302      15.53351 
1 1 1 4   10  1  o 447.3615 13.29176 4806.205       283.9668 4751.380       491.0774 4833.746       348.0593 442.6963 23.28442 448.1288 16.27285 -5.432526      28.40721 
1 1 1 4   10  2  o 399.1898 8.140081 3814.645       155.3519 3931.028       188.7463 3570.208       273.5376 405.1091 9.745364 385.2660 14.87871 19.84311       17.78617 
1 1 1 4   10  3  o 139.0682 9.032187 465.0671       59.72736 0.000000       0.000000 465.0671       59.72736 ?        ?        139.0682 9.032187 0.000000       9.032187 
1 1 1 4   10  4  o 225.7788 9.268023 1222.872       99.82848 0.000000       0.000000 1222.872       99.82848 ?        ?        225.7788 9.268023 0.000000       9.268023 
1 1 1 4   10  5  f 632.6979 10.77809 9593.356       326.0216 0.000000       0.000000 9593.356       326.0216 ?        ?        632.6979 10.77809 0.000000       10.77809 
1 1 1 4   10  6  o 301.3562 6.023717 2172.617       86.78667 2273.392       151.1315 2123.036       106.0077 307.8620 10.28254 297.8354 7.444794 10.02655       12.69471 
1 1 1 4   10  7  o 156.2328 7.410397 585.4893       55.19278 583.6880       111.4497 586.0746       63.53021 155.1330 15.22259 156.2231 8.538491 -1.090027      17.45374 
1 1 1 4   10  8  o 535.9819 18.95983 6930.694       485.0743 6780.953       683.3891 7082.745       688.6385 527.6083 27.18409 539.3947 26.78782 -11.78632      38.16493 
1 1 1 4   10  9  o 300.1301 10.91834 2161.924       156.4049 2248.756       193.8431 1999.933       264.7615 305.8150 13.28989 287.3874 19.38326 18.42761       23.50174 
1 1 1 4   10  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   10  11 o 188.6488 15.75411 861.6287       140.7915 861.6287       140.7915 0.000000       0.000000 188.6488 15.75411 ?        ?        0.000000       15.75411 
1 1 1 4   10  12 o 299.4362 12.65684 2155.632       180.7829 1862.383       249.1718 2481.577       262.6953 277.2685 18.91025 320.5732 17.20324 -43.30478      25.56460 
1 1 1 4   10  13 o 389.9081 15.21691 3661.342       283.1147 3524.333       398.4533 3801.040       402.3445 380.9952 21.96823 395.8850 21.33675 -14.88986      30.62450 
1 1 1 4   10  14 o 624.9039 21.97437 9468.746       655.4834 9652.790       925.7822 9283.734       928.2097 626.6036 30.99974 614.0799 31.72398 12.52368       44.35532 
1 1 1 4   10  15 o 110.7971 26.02339 310.8851       135.4858 136.6162       186.5694 505.3297       197.0736 86.60191 32.80728 141.0035 30.14749 -54.40157      44.55545 
1 1 1 4   10  16 o 722.9276 12.72806 12556.55       439.9115 12991.13       1229.191 12492.71       471.1159 722.1085 35.71561 720.8074 13.67100 1.301147       38.24266 
1 1 1 4   10  17 o 282.3475 13.56262 1922.312       182.5425 2139.404       245.6035 1654.383       272.8489 297.1008 17.36681 259.9460 22.16614 37.15482       28.15926 
1 1 1 4   10  18 o 226.1363 15.37390 1239.531       165.2238 1380.966       208.1248 998.4728       271.7100 238.0538 18.43036 199.0313 29.44168 39.02246       34.73458 
1 1 1 4   10  19 o 44.64050 20.47272 -68.27775      99.06985 -33.71469      130.0738 -116.0274      152.8864 56.13285 24.77311 54.34839 25.10797 1.784462       35.27205 
1 1 1 4   10  20 o 135.4886 18.99460 455.0611       119.6634 614.7596       160.2337 253.6807       179.9334 157.0466 21.93898 101.0923 32.66973 55.95426       39.35264 
1 1 1 4   10  21 o 441.9304 14.27077 4728.516       301.1201 4776.625       504.9825 4701.972       375.1046 439.0459 24.15095 439.0948 17.90596 -0.4895020E-01 30.06479 
1 1 1 4   10  22 o 241.2986 14.54738 1416.022       167.0423 1477.118       220.2644 1333.321       256.2696 245.0353 18.94928 230.9541 23.53799 14.08119       30.21774 
1 1 1 4   10  23 o 276.2739 15.67349 1862.705       206.1716 1937.698       261.2871 1738.978       335.6126 280.1902 19.62967 261.5874 27.23400 18.60275       33.57104 
1 1 1 4   10  24 o 51.02849 23.65270 -105.1579      137.3569 -191.3417      224.5136 -53.60263      173.6465 63.18328 29.60161 62.96093 28.15394 0.2223511      40.85216 
1 1 1 4   10  25 o 187.3737 16.32556 863.7636       144.7876 827.6137       190.7666 912.8824       222.3683 181.1030 22.51766 189.1163 25.22267 -8.013336      33.81166 
1 1 1 4   10  26 o 138.6335 20.59964 485.9008       132.3887 353.0070       176.2078 658.1481       200.6083 114.5961 31.28924 158.8436 27.40619 -44.24742      41.59466 
1 1 1 4   10  27 o 361.6994 16.26269 3214.391       280.5023 3785.888       391.9569 2614.432       401.5991 389.0164 21.15433 318.9681 26.57649 70.04825       33.96786 
1 1 1 4   10  28 o 104.5557 27.04081 291.9958       136.1707 418.6498       185.9085 145.3945       200.0131 123.6724 31.39302 85.59119 33.55500 38.08119       45.95062 
1 1 1 4   10  29 o 79.48439 28.28313 150.7492       135.1971 40.66570       185.6339 275.0955       197.2935 72.39801 30.75748 101.5178 34.26867 -29.11980      46.04741 
1 1 1 4   10  30 o 122.8643 36.91639 432.4039       234.2665 362.1175       317.0883 516.8765       347.6180 115.0195 42.94074 130.8920 45.44936 -15.87247      62.52641 
1 1 1 4   10  31 o 344.2449 17.25846 2954.210       283.1330 3310.151       394.2805 2575.239       406.8356 358.7020 23.11432 311.6027 27.59418 47.09930       35.99598 
1 1 1 4   10  32 o 50.99890 23.63886 -88.95336      137.1936 -180.6046      179.7557 38.92400       212.3294 53.65818 25.53869 74.32478 32.24968 -20.66660      41.13717 
1 1 1 4   10  33 o 68.30993 28.63263 60.98455       157.3998 322.5526       317.0297 -24.58263      181.3265 105.6451 41.98590 63.99480 28.68155 41.65025       50.84729 
1 1 1 4   10  34 o 119.8135 25.57615 398.7619       142.0433 359.8380       204.6565 434.9394       197.3043 108.2302 34.83004 119.8060 33.26694 -11.57581      48.16452 
1 1 1 4   10  35 o 126.2136 25.60612 453.5053       149.2216 524.9069       218.7810 391.3947       204.0508 127.1509 34.92451 109.5488 34.72771 17.60204       49.25175 
1 1 1 4   10  36 o 69.58861 27.89293 115.3115       141.1178 109.5741       209.2795 120.0953       191.0987 74.57150 32.18672 74.14646 31.34042 0.4250336      44.92445 
1 1 1 4   10  37 o 115.2415 33.04234 458.8920       191.4617 473.2950       230.9436 427.2333       342.3925 111.1727 37.07107 98.22817 41.75306 12.94453       55.83532 
1 1 1 4   10  38 o 58.68228 27.29588 -17.03749      185.4053 -31.88424      215.6857 24.98408       362.8622 60.90166 28.68339 72.70490 35.04460 -11.80323      45.28643 
1 1 1 4   11  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11  7  f 288.8965 12.44528 2006.011       171.4887 1828.658       244.8123 2176.877       240.2940 274.8312 18.74416 300.3178 16.80308 -25.48666      25.17314 
1 1 1 4   11  8  o 694.1178 11.19390 11551.71       371.4695 11523.02       393.7810 11783.53       1119.467 693.1238 11.88326 691.8522 33.94828 1.271606       35.96800 
1 1 1 4   11  9  o 835.7849 28.05458 17038.27       1119.414 16124.97       1580.740 17957.02       1585.451 803.7727 41.27390 850.1204 39.11374 -46.34772      56.86317 
1 1 1 4   11  10 o 755.0212 25.86820 13872.75       932.3776 13561.36       1317.528 14185.15       1319.637 739.4023 37.39235 756.8419 36.57874 -17.43964      52.30862 
1 1 1 4   11  11 o 440.3229 16.32344 4673.414       343.0354 4236.746       483.3752 5116.464       486.8947 417.0813 24.34713 459.1481 22.24684 -42.06674      32.98037 
1 1 1 4   11  12 o 149.9120 12.23039 542.9676       86.89561 309.1987       112.8592 883.3126       136.1769 111.1070 22.02500 191.0568 15.02938 -79.94984      26.66426 
1 1 1 4   11  13 o 444.1125 11.87065 4737.435       251.8176 4582.382       483.1689 4795.257       295.0594 433.8015 23.38340 446.4345 13.84103 -12.63297      27.17273 
1 1 1 4   11  14 o 508.9756 11.79518 6219.411       287.0185 5704.109       604.0921 6369.652       326.1874 482.6600 26.27814 514.6242 13.26878 -31.96417      29.43810 
1 1 1 4   11  15 o 128.0151 18.96221 404.8003       112.5491 956.8292       192.6654 118.8307       138.6701 197.5899 20.70231 77.36556 28.48670 120.2243       35.21473 
1 1 1 4   11  16 o 222.8467 13.00851 1198.817       137.9907 1238.172       192.1413 1156.897       198.3009 225.5047 17.97057 217.6328 19.25718 7.871964       26.33971 
1 1 1 4   11  17 o 48.26467 21.86590 -58.83980      108.6895 -453.0306      194.9075 119.0647       130.9389 46.52156 23.07413 76.06392 27.73395 -29.54236      36.07752 
1 1 1 4   11  18 o 188.4324 16.28504 865.7168       145.2692 995.4562       173.8802 565.8750       264.3384 201.6805 18.23005 146.2547 37.59859 55.42574       41.78503 
1 1 1 4   11  19 o 531.6953 19.73472 6907.631       500.7810 7329.911       704.2497 6475.713       712.2406 542.4615 27.24217 508.0750 29.44799 34.38654       40.11633 
1 1 1 4   11  20 o 178.8264 15.64848 781.3502       132.4397 880.2046       178.0385 658.8752       198.1709 188.6367 20.04816 160.7245 26.72821 27.91212       33.41146 
1 1 1 4   11  21 o 55.64305 23.47595 13.16801       106.9024 75.58869       136.2363 -86.85033      172.4521 69.83868 27.59713 60.33344 27.41620 9.505241       38.90051 
1 1 1 4   11  22 o 468.0820 18.43937 5376.058       411.8375 6020.706       576.6722 4705.024       588.3560 490.4662 24.67224 429.9534 28.78858 60.51288       37.91440 
1 1 1 4   11  23 o 254.7461 15.19879 1584.543       184.2664 1882.347       248.7069 1222.131       274.3620 276.1745 18.95118 218.7157 26.79750 57.45872       32.82154 
1 1 1 4   11  24 o 155.1878 17.41835 596.9686       127.0048 576.2544       158.1977 634.5262       213.0178 150.6263 22.67015 155.1721 29.79693 -4.545807      37.44052 
1 1 1 4   11  25 o 250.0118 17.58035 1542.471       208.7944 1449.184       260.5160 1710.014       349.1300 239.6445 23.02118 256.7331 28.94855 -17.08864      36.98639 
1 1 1 4   11  26 o 199.1803 16.24643 978.7520       153.3653 1131.161       199.7715 760.0018       239.3324 212.6387 19.88141 168.6547 30.81734 43.98399       36.67395 
1 1 1 4   11  27 o 286.3371 15.58916 2016.380       212.6020 2452.667       289.6792 1507.010       313.0028 313.5130 19.42187 240.1612 27.77183 73.35179       33.88929 
1 1 1 4   11  28 o 131.4378 25.79110 456.5509       156.2778 474.7101       175.8541 388.3405       340.8228 132.7850 28.55024 118.8559 44.48930 13.92902       52.86222 
1 1 1 4   11  29 o 53.92392 24.06334 -34.34068      126.1645 51.97469       160.6577 -173.2136      203.7822 69.53598 29.02122 59.38631 27.94207 10.14967       40.28635 
1 1 1 4   11  30 o 180.9109 18.88713 826.6961       160.9539 729.7550       212.6371 956.7625       246.3019 164.7909 27.98987 189.0356 28.10706 -24.24467      39.66660 
1 1 1 4   11  31 o 103.7401 29.11377 301.1547       150.2544 399.7715       205.8849 188.7790       219.7786 116.7719 34.49298 89.66143 35.16700 27.11042       49.25935 
1 1 1 4   11  32 o 104.5454 28.25596 308.1782       144.5648 456.4762       190.5427 107.0248       221.9158 125.3301 31.76453 80.74135 33.93046 44.58874       46.47861 
1 1 1 4   11  33 o 184.6912 19.77875 884.3163       171.9274 1079.105       231.0206 642.5107       257.3964 200.0879 24.67220 143.2808 37.23873 56.80708       44.67035 
1 1 1 4   11  34 o 57.75090 26.96809 -97.10891      183.8302 -159.6055      325.4142 -67.81689      222.7836 72.28216 34.39116 65.25606 30.20399 7.026100       45.77153 
1 1 1 4   11  35 o 70.39774 27.97209 119.7759       140.6885 162.8137       202.1998 79.38714       195.8779 79.47221 32.80871 71.16037 30.92508 8.311836       45.08627 
1 1 1 4   11  36 o 79.36796 29.01892 190.4889       143.4995 266.7204       206.1375 118.8118       199.8848 88.98599 34.29285 73.58884 31.60575 15.39715       46.63607 
1 1 1 4   11  37 o 85.17090 29.87182 247.5600       150.3794 288.9246       218.0522 210.0424       207.6650 87.10227 34.75328 79.27512 33.03333 7.827156       47.94780 
1 1 1 4   12  0  o 489.4722 17.47127 5777.494       408.1913 5462.284       576.9973 6093.299       577.5424 473.5483 25.58093 500.7070 24.19800 -27.15866      35.21260 
1 1 1 4   12  1  o 521.7414 9.361507 6521.142       233.5121 6736.257       658.5087 6490.201       249.7415 525.7801 26.28016 520.4184 10.03760 5.361694       28.13183 
1 1 1 4   12  2  o 423.8930 15.62244 4326.761       316.0602 0.000000       0.000000 4326.761       316.0602 ?        ?        423.8930 15.62244 0.000000       15.62244 
1 1 1 4   12  3  o 464.0866 9.643929 5160.248       213.9742 0.000000       0.000000 5160.248       213.9742 ?        ?        464.0866 9.643929 0.000000       9.643929 
1 1 1 4   12  4  o 190.0839 10.42136 868.6202       94.34382 0.000000       0.000000 868.6202       94.34382 ?        ?        190.0839 10.42136 0.000000       10.42136 
1 1 1 4   12  5  o 287.7425 8.976168 1985.112       123.3309 0.000000       0.000000 1985.112       123.3309 ?        ?        287.7425 8.976168 0.000000       8.976168 
1 1 1 4   12  6  o 66.11353 17.70101 108.9477       57.05964 0.000000       0.000000 108.9477       57.05964 ?        ?        66.11353 17.70101 0.000000       17.70101 
1 1 1 4   12  7  o 159.6166 10.28211 613.2179       78.04626 0.000000       0.000000 613.2179       78.04626 ?        ?        159.6166 10.28211 0.000000       10.28211 
1 1 1 4   12  8  o 211.5203 7.874828 1072.763       79.49551 668.2751       140.0154 1265.177       96.56979 165.5363 17.98037 229.6501 8.811969 -64.11372      20.02359 
1 1 1 4   12  9  o 72.59888 21.69370 129.1260       81.06586 166.0241       110.1215 85.47549       119.7747 82.56683 25.41356 69.44734 26.29154 13.11949       36.56630 
1 1 1 4   12  10 o 508.8820 17.85429 6254.921       433.7052 5736.282       608.1000 6791.872       618.7421 484.3405 26.36064 527.8917 24.58391 -43.55115      36.04514 
1 1 1 4   12  11 o 560.8000 11.39612 7547.661       305.5438 6993.979       718.5549 7669.870       337.5839 533.7488 28.25954 565.0963 12.49542 -31.34747      30.89882 
1 1 1 4   12  12 o 375.3766 14.89926 3398.040       266.8558 3358.586       375.3860 3438.348       379.4287 371.5223 21.22244 375.9292 21.19721 -4.406952      29.99523 
1 1 1 4   12  13 o 407.9035 11.14812 3997.951       217.2001 4121.870       252.9121 3649.740       423.9567 413.8444 12.79813 386.4431 23.05185 27.40121       26.36626 
1 1 1 4   12  14 o 469.8802 17.24767 5346.456       386.8018 5121.313       542.5076 5579.249       551.6475 456.6774 24.94249 477.0454 24.26737 -20.36801      34.79990 
1 1 1 4   12  15 o 254.1397 13.11274 1559.395       158.7828 1889.300       216.8803 1178.294       233.1017 279.0728 16.32658 218.5275 22.63916 60.54524       27.91216 
1 1 1 4   12  16 o 167.6182 15.97857 685.6517       126.4990 1271.312       204.6176 323.3380       160.9394 227.9382 18.94780 111.9887 29.61192 115.9495       35.15516 
1 1 1 4   12  17 f 372.8635 15.21548 3368.795       270.6640 3499.932       380.0986 3233.897       385.5122 377.7242 21.13237 362.4899 22.35382 15.23431       30.76150 
1 1 1 4   12  18 o 274.2405 13.85015 1822.212       181.0032 1954.174       248.0790 1671.997       264.6812 282.5784 18.46409 260.2130 21.46657 22.36545       28.31495 
1 1 1 4   12  19 o 210.2878 14.22070 1075.436       142.1286 1217.810       190.2676 895.6984       213.7813 222.7243 18.02235 188.6859 24.25923 34.03848       30.22110 
1 1 1 4   12  20 o 81.81194 31.01966 132.5093       166.8780 275.7742       208.9007 -120.1419      277.4155 104.7006 35.26219 76.32469 34.71796 28.37589       49.48493 
1 1 1 4   12  21 o 154.6102 20.44179 598.4527       147.4018 222.4663       229.1185 863.9614       192.5367 99.00906 36.58852 185.5644 22.13869 -86.55538      42.76495 
1 1 1 4   12  22 o 74.91209 31.12782 56.25099       183.6551 -136.5900      231.2949 385.2841       302.1246 67.54567 31.08873 121.1595 42.35208 -53.61382      52.53768 
1 1 1 4   12  23 o 280.7903 15.29717 1927.386       204.5777 2135.457       280.6987 1691.647       298.7800 293.2680 20.14247 258.5713 24.45999 34.69675       31.68612 
1 1 1 4   12  24 o 209.4077 18.30934 1087.504       181.4629 1127.742       212.2736 978.2827       349.7277 211.9856 21.23043 186.3257 40.42440 25.65988       45.66031 
1 1 1 4   12  25 o 75.00066 27.39820 124.6120       127.8764 204.5822       161.8422 -8.277693      208.6282 90.41932 31.02861 72.19102 31.63319 18.22829       44.31065 
1 1 1 4   12  26 o 156.2848 20.41617 618.8119       148.9019 1015.233       196.2822 81.39864       228.5372 200.5527 20.77159 82.39521 34.51665 118.1575       40.28471 
1 1 1 4   12  27 o 152.9446 21.23119 597.2295       151.0641 601.5290       200.8338 591.6273       229.2487 149.5663 29.13420 145.8075 33.57988 3.758774       44.45683 
1 1 1 4   12  28 o 158.9644 19.13335 638.0154       142.4915 975.3802       182.1465 105.9311       228.7500 196.7093 19.62996 84.13736 34.83075 112.5719       39.98145 
1 1 1 4   12  29 o 200.1602 20.34431 1018.349       191.9813 1171.427       292.6891 902.7588       254.3376 207.7396 30.36703 182.0655 30.28292 25.67403       42.88604 
1 1 1 4   12  30 o 125.8156 24.72554 425.0643       143.4205 299.7687       186.5285 606.2628       224.3131 102.6624 33.27011 145.2377 33.05079 -42.57539      46.89621 
1 1 1 4   12  31 o 159.8702 32.07101 734.1718       236.5911 684.4911       305.9943 808.0194       373.0677 145.2515 41.81134 152.5845 46.74137 -7.332932      62.71318 
1 1 1 4   12  32 o 105.9671 31.55959 329.8416       171.7879 187.1173       193.3537 864.7194       374.3095 86.02986 33.19693 155.9639 46.61807 -69.93399      57.23007 
1 1 1 4   12  33 o 63.58238 26.98602 49.00952       142.6634 -49.97353      184.5534 195.9833       224.8856 61.27575 28.04218 86.88773 35.07671 -25.61198      44.90812 
1 1 1 4   12  34 o 125.1661 32.82637 503.4323       198.8238 573.8755       330.7900 463.5891       248.7767 118.2985 43.91793 113.3718 38.47962 4.926682       58.39063 
1 1 1 4   12  35 o 88.44555 30.41593 249.3926       155.5381 337.5769       202.4478 122.3536       242.9886 98.43282 34.64875 77.08072 33.94500 21.35210       48.50566 
1 1 1 4   12  36 o 53.81667 24.61275 -18.59293      141.8714 8.830785       201.7493 -45.41982      199.5419 63.27577 29.09129 59.61418 27.92220 3.661591       40.32309 
1 1 1 4   12  37 o 80.23994 29.66168 226.9607       150.5987 354.2823       218.9157 112.5718       207.4999 91.31544 35.30003 68.88064 30.79038 22.43480       46.84164 
1 1 1 4   13  0  o 470.3371 7.161530 5296.280       161.0362 5230.881       237.0962 5352.285       219.4098 466.9903 10.61961 472.5099 9.712629 -5.519623      14.39136 
1 1 1 4   13  1  o 103.6127 8.512365 258.9037       41.79537 243.7656       63.45841 270.5013       55.54421 99.79604 13.65849 105.5983 11.17123 -5.802261      17.64513 
1 1 1 4   13  2  o 620.0036 22.38730 9336.271       662.5075 0.000000       0.000000 9336.271       662.5075 ?        ?        620.0036 22.38730 0.000000       22.38730 
1 1 1 4   13  3  o 582.2212 10.36094 8128.785       288.4002 0.000000       0.000000 8128.785       288.4002 ?        ?        582.2212 10.36094 0.000000       10.36094 
1 1 1 4   13  4  o 367.2956 9.284978 3235.151       162.9133 0.000000       0.000000 3235.151       162.9133 ?        ?        367.2956 9.284978 0.000000       9.284978 
1 1 1 4   13  5  o 187.2383 11.27491 844.2662       100.4614 0.000000       0.000000 844.2662       100.4614 ?        ?        187.2383 11.27491 0.000000       11.27491 
1 1 1 4   13  6  o 463.2394 10.67989 5147.730       236.5270 0.000000       0.000000 5147.730       236.5270 ?        ?        463.2394 10.67989 0.000000       10.67989 
1 1 1 4   13  7  o 556.5130 19.66549 7503.609       522.4027 0.000000       0.000000 7503.609       522.4027 ?        ?        556.5130 19.66549 0.000000       19.66549 
1 1 1 4   13  8  f 306.4078 9.259540 2252.717       135.4874 0.000000       0.000000 2252.717       135.4874 ?        ?        306.4078 9.259540 0.000000       9.259540 
1 1 1 4   13  9  o 285.8876 7.567801 1959.030       103.3454 1955.258       173.0130 1961.122       128.8600 284.9106 12.73387 285.8261 9.442883 -0.9154968     15.85306 
1 1 1 4   13  10 o 668.1042 8.892395 10701.41       284.0346 10880.89       381.8049 10478.99       425.0349 672.9137 11.86790 659.8736 13.47273 13.04010       17.95442 
1 1 1 4   13  11 o 483.0542 10.63334 5602.938       245.5691 5626.472       271.8206 5498.447       572.7573 483.8283 11.75121 472.9397 25.42470 10.88864       28.00904 
1 1 1 4   13  12 o 97.33666 15.65151 234.4104       70.36642 336.2102       88.25687 56.79117       116.5789 116.8674 16.23370 64.20380 25.47833 52.66360       30.21056 
1 1 1 4   13  13 o 42.93546 18.67418 -11.20155      71.54560 28.45581       94.43239 -64.64005      109.6191 55.14336 22.55556 47.92459 21.80903 7.218765       31.37494 
1 1 1 4   13  14 o 266.8465 13.11027 1720.541       166.7439 1778.962       231.3916 1657.433       240.4948 270.0842 18.02323 260.2209 19.47223 9.863251       26.53308 
1 1 1 4   13  15 o 38.90597 17.34872 -25.17614      65.45108 -110.7711      78.32476 172.9277       119.1575 34.43081 16.51463 83.84644 26.53279 -49.41563      31.25255 
1 1 1 4   13  16 o 254.7842 12.97915 1570.929       157.5774 1684.413       214.0673 1436.707       232.8063 262.6811 17.13923 241.4637 20.35609 21.21739       26.61060 
1 1 1 4   13  17 o 320.4203 13.89088 2488.815       212.2879 2488.858       292.4003 2488.768       308.7036 318.3821 19.30036 317.8780 20.42097 0.5041504      28.09839 
1 1 1 4   13  18 o 81.88084 29.58799 148.0002       148.5816 276.1612       197.5244 -19.02719      225.4949 104.2844 34.26581 75.20682 32.92262 29.07755       47.51888 
1 1 1 4   13  19 o 199.2530 14.55009 968.6826       137.6496 1156.279       183.1653 725.2610       208.6462 216.7332 17.83470 168.0208 26.87962 48.71239       32.25818 
1 1 1 4   13  20 o 149.5355 16.81275 552.5597       118.1163 442.8498       151.5717 722.2037       188.4796 131.0295 25.10952 168.6276 24.06061 -37.59811      34.77644 
1 1 1 4   13  21 o 326.3118 15.11267 2597.925       235.1264 2772.292       325.4369 2407.509       340.0845 334.3321 20.45807 309.9262 23.11852 24.40585       30.87068 
1 1 1 4   13  22 o 228.8673 14.86386 1281.341       161.7589 1384.662       213.1467 1141.015       248.4025 236.2707 19.03035 211.5266 25.04861 24.74414       31.45771 
1 1 1 4   13  23 o 223.1721 15.79236 1223.863       167.4100 1687.050       220.1647 588.9661       257.7632 261.3115 17.72800 145.3092 37.00847 116.0022       41.03546 
1 1 1 4   13  24 o 65.59287 25.83699 71.82121       119.0714 0.7295633E-02  146.2429 213.0581       205.0900 61.90355 26.81262 94.42641 34.66473 -32.52286      43.82419 
1 1 1 4   13  25 o 153.6764 30.65042 638.7700       217.2905 389.6110       269.9428 1097.338       366.2144 117.9673 40.08259 195.0653 40.59153 -77.09799      57.04635 
1 1 1 4   13  26 o 52.27684 23.75244 -60.53210      129.3941 -288.8677      160.4850 363.6511       218.7380 44.99674 22.04855 114.0356 35.93100 -69.03889      42.15656 
1 1 1 4   13  27 o 105.4018 27.68764 300.3363       141.2987 144.2427       181.0850 543.3068       225.9264 82.90218 32.08978 138.8267 34.25340 -55.92456      46.93665 
1 1 1 4   13  28 o 161.5475 33.04699 732.0598       246.6221 1138.578       322.3096 157.8644       383.0568 200.9282 34.81311 100.9340 43.55542 99.99413       55.75865 
1 1 1 4   13  29 o 201.8242 18.75107 1034.564       178.8594 1603.392       242.5990 357.1700       264.7397 250.2384 20.45643 110.0748 39.53114 140.1636       44.51041 
1 1 1 4   13  30 o 125.8768 24.46307 428.4500       141.9142 389.9834       179.5664 492.4515       231.6213 115.8829 31.56362 127.0638 36.31440 -11.18089      48.11443 
1 1 1 4   13  31 o 81.51554 28.37937 177.5861       135.5802 197.4888       172.2529 145.1786       219.8029 86.16907 31.74565 83.43982 34.30215 2.729248       46.73782 
1 1 1 4   13  32 o 112.5663 41.68469 441.5756       297.6610 441.5756       297.6610 0.000000       0.000000 112.5663 41.68469 ?        ?        0.000000       41.68469 
1 1 1 4   13  33 o 66.60279 27.54465 85.36090       142.8636 158.2229       182.6815 -29.36327      229.2300 78.36794 31.62255 67.14545 30.92088 11.22249       44.22766 
1 1 1 4   13  34 o 82.33750 31.70537 206.5706       176.1039 -39.96792      196.5870 1208.134       396.2339 61.41302 28.40678 168.0628 47.31816 -106.6498      55.19016 
1 1 1 4   13  35 o 60.77084 29.28608 -144.3023      253.0908 -322.1313      323.3711 136.8560       406.6074 61.27476 30.27021 81.46997 38.67069 -20.19521      49.10915 
1 1 1 4   13  36 o 54.87423 25.87461 -54.82641      176.4328 11.56468       193.9540 -373.2814      424.7838 60.97736 28.20900 64.45334 32.29171 -3.475975      42.87775 
1 1 1 4   14  0  o 243.1641 6.972841 1417.361       80.97834 1658.069       124.3586 1240.158       106.7002 262.6630 9.920872 227.1177 9.850076 35.54527       13.98026 
1 1 1 4   14  1  o 359.0600 8.328734 3090.333       142.9731 3066.946       178.6650 3131.977       238.4104 357.2631 10.47157 360.3367 13.86499 -3.073608      17.37503 
1 1 1 4   14  2  o 295.4655 12.63288 2103.716       178.0385 0.000000       0.000000 2103.716       178.0385 ?        ?        295.4655 12.63288 0.000000       12.63288 
1 1 1 4   14  3  o 291.5583 12.42525 2048.003       172.7994 0.000000       0.000000 2048.003       172.7994 ?        ?        291.5583 12.42525 0.000000       12.42525 
1 1 1 4   14  4  o 286.0584 12.30765 1971.389       167.9272 0.000000       0.000000 1971.389       167.9272 ?        ?        286.0584 12.30765 0.000000       12.30765 
1 1 1 4   14  5  o 446.5877 16.24263 4824.172       346.2162 0.000000       0.000000 4824.172       346.2162 ?        ?        446.5877 16.24263 0.000000       16.24263 
1 1 1 4   14  6  o 61.89104 17.95292 94.68645       56.21482 0.000000       0.000000 94.68645       56.21482 ?        ?        61.89104 17.95292 0.000000       17.95292 
1 1 1 4   14  7  o 228.1020 9.237902 1250.260       100.5337 0.000000       0.000000 1250.260       100.5337 ?        ?        228.1020 9.237902 0.000000       9.237902 
1 1 1 4   14  8  o 568.0640 10.12006 7748.417       274.8454 0.000000       0.000000 7748.417       274.8454 ?        ?        568.0640 10.12006 0.000000       10.12006 
1 1 1 4   14  9  o 459.7827 9.775056 5075.381       214.8722 0.000000       0.000000 5075.381       214.8722 ?        ?        459.7827 9.775056 0.000000       9.775056 
1 1 1 4   14  10 o 190.6752 8.648993 873.9662       78.63863 812.3918       142.5401 900.9075       94.28571 182.4506 16.52002 193.3848 10.23444 -10.93420      19.43334 
1 1 1 4   14  11 o 294.0641 10.42537 2080.983       146.3371 2113.846       252.6603 2064.395       179.5115 294.4435 18.03496 292.3773 12.87379 2.066284       22.15838 
1 1 1 4   14  12 o 392.8965 15.76544 3744.994       295.5357 4200.697       413.6389 3269.782       422.4000 413.8537 20.97415 363.3201 24.46045 50.53366       32.22156 
1 1 1 4   14  13 o 80.70867 18.25024 164.7779       68.76316 222.9392       83.80892 44.97812       120.2822 93.93597 19.30739 62.97208 25.56907 30.96389       32.03986 
1 1 1 4   14  14 o 164.4566 13.73639 658.3787       107.0166 907.3059       144.0326 351.5996       159.8960 192.7433 15.76822 116.1390 28.91079 76.60424       32.93130 
1 1 1 4   14  15 o 343.4365 14.61335 2863.958       239.3927 3029.321       334.5510 2690.440       342.7009 350.8699 20.02697 329.6932 21.86541 21.17673       29.65090 
1 1 1 4   14  16 o 99.20911 20.22382 250.1635       92.66590 376.2071       123.9037 90.17738       139.5935 121.6841 22.11242 72.31065 28.12347 49.37342       35.77553 
1 1 1 4   14  17 o 174.0074 14.61302 740.0154       120.4451 720.5837       139.4859 796.9718       238.8072 170.9416 17.30581 175.1118 29.57723 -4.170135      34.26811 
1 1 1 4   14  18 o 33.65596 16.02355 -88.82597      70.87357 -70.62976      83.80527 -134.5203      132.8043 39.58926 18.39327 47.78558 22.50644 -8.196316      29.06634 
1 1 1 4   14  19 f 212.5393 13.38036 1099.510       135.2713 1182.741       176.5717 981.2581       210.4659 219.2998 16.97329 197.4193 22.71227 21.88052       28.35383 
1 1 1 4   14  20 o 357.5854 13.08859 3105.506       223.3817 3224.909       277.6021 2886.164       376.2503 362.9819 16.03625 338.9292 23.36279 24.05270       28.33692 
1 1 1 4   14  21 o 173.2668 19.24354 749.7332       156.7220 711.5574       234.5186 780.5399       210.6712 163.3835 31.16030 173.8365 26.15864 -10.45303      40.68462 
1 1 1 4   14  22 o 61.81083 26.72076 1.297728       144.6815 238.9723       224.9945 -166.2745      188.9216 99.18507 36.32491 57.50261 27.00811 41.68245       45.26519 
1 1 1 4   14  23 o 184.0807 19.79054 851.9623       171.4380 584.4974       248.8595 1093.543       236.5115 144.0986 36.18024 206.2875 24.45646 -62.18887      43.67068 
1 1 1 4   14  24 o 184.3830 17.27838 846.4138       150.5371 977.1620       191.9741 637.6479       242.5797 196.5664 20.74026 151.2242 34.33895 45.34218       40.11636 
1 1 1 4   14  25 o 179.5203 18.18742 806.9494       153.9450 976.0388       194.7221 525.0975       251.4013 196.1313 21.09771 135.0702 37.56896 61.06111       43.08759 
1 1 1 4   14  26 o 102.7106 29.63781 287.8055       153.5753 280.6277       167.6133 325.3520       383.3505 101.3964 31.37854 113.9733 45.87249 -12.57691      55.57785 
1 1 1 4   14  27 o 96.55405 32.96189 252.8351       182.5832 397.4489       287.3862 154.9565       236.4312 116.1097 41.24421 88.42257 35.86826 27.68717       54.65909 
1 1 1 4   14  28 o 249.3738 16.82841 1559.985       199.4580 1538.768       262.8382 1588.793       306.2689 242.9082 22.90313 243.2532 26.77757 -0.3449249     35.23623 
1 1 1 4   14  29 o 134.5479 25.07367 491.5876       155.3559 532.7639       169.4675 274.7775       388.8685 139.3242 26.40827 104.4668 44.45408 34.85735       51.70650 
1 1 1 4   14  30 f 105.9004 32.41142 333.1156       179.4343 419.4658       267.9608 262.9200       241.5987 114.0688 39.88485 96.56249 37.14824 17.50636       54.50498 
1 1 1 4   14  31 o 179.4658 18.92425 840.3131       159.9294 902.0043       203.4593 740.5611       258.7179 181.5795 24.02604 152.5411 36.05029 29.03838       43.32291 
1 1 1 4   14  32 o 65.68487 28.91546 38.17900       176.1611 -455.5163      278.6595 366.8204       227.3555 55.33659 27.47095 102.9754 36.67351 -47.63878      45.82139 
1 1 1 4   14  33 o 104.8320 28.51397 342.1419       146.6630 163.1487       181.6989 676.8076       248.4504 77.33308 31.41654 138.3153 36.89340 -60.98219      48.45743 
1 1 1 4   14  34 o 66.96126 27.69281 108.3405       144.4039 106.6010       180.0600 111.4757       241.7386 69.41816 29.90808 73.70664 33.06898 -4.288483      44.58757 
1 1 1 4   14  35 o 72.68929 31.25253 160.7533       195.8336 360.0540       308.1747 25.76178       253.6272 87.36835 38.36016 66.48230 31.24697 20.88605       49.47601 
1 1 1 4   15  0  o 118.5248 8.257241 338.6182       46.49735 325.0752       74.63589 347.2084       59.44201 115.2445 13.82167 119.7264 10.49062 -4.481911      17.35200 
1 1 1 4   15  1  o 420.0780 10.88227 4246.757       218.3695 0.000000       0.000000 4246.757       218.3695 ?        ?        420.0780 10.88227 0.000000       10.88227 
1 1 1 4   15  2  o 178.5752 10.96030 769.7964       93.12246 0.000000       0.000000 769.7964       93.12246 ?        ?        178.5752 10.96030 0.000000       10.96030 
1 1 1 4   15  3  o 111.1568 12.07617 300.9774       63.14602 0.000000       0.000000 300.9774       63.14602 ?        ?        111.1568 12.07617 0.000000       12.07617 
1 1 1 4   15  4  o 216.2010 10.86411 1126.926       111.9351 0.000000       0.000000 1126.926       111.9351 ?        ?        216.2010 10.86411 0.000000       10.86411 
1 1 1 4   15  5  f 523.0947 11.14596 6583.290       278.7444 0.000000       0.000000 6583.290       278.7444 ?        ?        523.0947 11.14596 0.000000       11.14596 
1 1 1 4   15  6  o 165.7604 11.43311 664.4396       90.05030 0.000000       0.000000 664.4396       90.05030 ?        ?        165.7604 11.43311 0.000000       11.43311 
1 1 1 4   15  7  o 154.6766 11.49035 579.1178       84.36324 0.000000       0.000000 579.1178       84.36324 ?        ?        154.6766 11.49035 0.000000       11.49035 
1 1 1 4   15  8  o 78.02750 17.46330 153.7015       63.51670 0.000000       0.000000 153.7015       63.51670 ?        ?        78.02750 17.46330 0.000000       17.46330 
1 1 1 4   15  9  o 178.3035 10.87435 767.9872       92.25745 0.000000       0.000000 767.9872       92.25745 ?        ?        178.3035 10.87435 0.000000       10.87435 
1 1 1 4   15  10 o 235.4865 10.13386 1336.279       113.8234 0.000000       0.000000 1336.279       113.8234 ?        ?        235.4865 10.13386 0.000000       10.13386 
1 1 1 4   15  11 o 236.7675 10.07274 1351.066       113.7587 1650.203       190.3304 1184.812       141.8920 260.3690 15.35832 220.9606 13.49619 39.40842       20.44567 
1 1 1 4   15  12 o 113.9783 11.37334 316.2305       61.14874 335.7197       96.03351 302.9404       79.30317 116.0217 17.88727 110.6993 15.40080 5.322433       23.60379 
1 1 1 4   15  13 o 439.7753 9.311722 4650.914       195.7804 5073.806       257.3271 4069.666       301.6836 458.3784 11.75199 408.9654 15.45750 49.41299       19.41761 
1 1 1 4   15  14 o 180.8147 12.69890 794.2946       109.0781 890.5658       141.1767 651.6993       171.8174 190.7539 15.61695 160.6587 23.02690 30.09521       27.82314 
1 1 1 4   15  15 o 225.5151 12.92841 1234.678       138.8050 1276.116       186.9987 1183.831       207.1433 227.9216 17.29007 218.4632 20.05644 9.458344       26.48032 
1 1 1 4   15  16 o 102.2045 19.83332 265.3250       93.41486 288.8102       120.7686 230.3448       147.3902 105.5467 24.41849 94.72629 29.44298 10.82043       38.25117 
1 1 1 4   15  17 o 212.7000 14.60234 1105.118       147.5895 1510.728       216.5863 753.4939       201.6583 247.3598 18.44726 171.5677 25.34728 75.79218       31.34942 
1 1 1 4   15  18 o 251.8094 14.16761 1546.415       169.8720 1946.216       216.9280 912.5662       273.1408 281.7608 16.17167 185.4517 31.96048 96.30904       35.81892 
1 1 1 4   15  19 o 290.9756 14.10972 2064.890       195.6982 2250.261       264.2328 1839.667       291.2541 301.7195 18.40544 270.3438 22.74521 31.37570       29.25927 
1 1 1 4   15  20 o 145.0047 16.09865 521.0755       109.7255 642.6594       133.1936 264.3022       193.5622 160.6806 17.62757 100.8292 33.94289 59.85143       38.24723 
1 1 1 4   15  21 o 218.0697 13.99727 1164.425       145.1602 1077.142       182.2880 1315.707       239.9855 207.8475 18.53885 227.8477 22.31679 -20.00020      29.01254 
1 1 1 4   15  22 o 171.9660 17.18062 736.3151       139.3617 864.0221       178.4030 536.3882       223.2187 184.9092 20.52606 138.8077 33.92726 46.10147       39.65322 
1 1 1 4   15  23 o 311.3684 15.50374 2386.231       230.0653 2451.271       308.6234 2304.883       345.1563 312.0471 20.80599 299.8406 24.28549 12.20645       31.97928 
1 1 1 4   15  24 f 263.3424 15.90738 1713.344       199.3417 1979.384       262.1934 1348.907       306.8734 280.7709 19.65683 225.0922 29.20388 55.67873       35.20309 
1 1 1 4   15  25 f 93.15898 27.40248 233.8219       130.1682 248.8562       157.6936 201.6724       230.6003 95.87051 30.54527 93.29696 36.18516 2.573555       47.35377 
1 1 1 4   15  26 o 72.89336 32.25158 1.654464       221.8043 38.79947       267.3349 -80.40051      397.3360 81.25972 35.70146 87.57919 40.46595 -6.319466      53.96376 
1 1 1 4   15  27 o 141.3013 23.37274 530.4344       152.3783 408.3080       188.5629 760.2886       258.6888 118.5089 32.37171 161.0159 34.63359 -42.50706      47.40689 
1 1 1 4   15  28 o 328.2091 16.79338 2712.983       262.6340 3285.101       356.4292 2033.354       388.4780 356.1931 21.02399 268.5169 30.81921 87.67624       37.30727 
1 1 1 4   15  29 o 192.2258 22.87494 985.3694       206.1042 984.2116       303.0176 986.3663       281.1589 178.5869 36.71762 182.3032 33.49273 -3.716354      49.69855 
1 1 1 4   15  30 o 127.0710 29.51327 480.6490       175.8557 304.8469       194.3075 1276.635       413.4570 98.41774 33.98970 183.8997 46.88949 -85.48198      57.91307 
1 1 1 4   15  31 f 165.1694 21.99831 750.2354       169.3957 814.5856       218.6158 653.5485       267.9727 165.0829 28.74316 134.0996 39.28260 30.98328       48.67538 
1 1 1 4   15  32 f 119.0341 28.52614 438.6615       160.2177 693.7108       207.9471 66.08391       251.3328 148.7675 30.26841 73.53209 33.28802 75.23546       44.99188 
1 1 1 4   15  33 o 54.78082 24.65148 3.876657       135.4612 -79.94385      163.8741 184.7217       240.7069 52.79883 24.90843 78.57073 34.21195 -25.77190      42.31887 
1 1 1 4   15  34 o 51.78920 24.00560 -29.27538      141.4930 68.87159       168.0986 -267.8285      262.0705 62.84690 27.92703 55.14237 27.24256 7.704529       39.01379 
1 1 1 4   16  0  o 207.6213 7.742549 1035.690       76.71897 1026.780       109.9121 1044.156       107.1352 206.1563 11.19368 207.9713 10.81221 -1.815002      15.56285 
1 1 1 4   16  1  o 440.3084 10.50626 4666.153       221.1635 0.000000       0.000000 4666.153       221.1635 ?        ?        440.3084 10.50626 0.000000       10.50626 
1 1 1 4   16  2  o 250.1822 11.88077 1512.661       141.6989 0.000000       0.000000 1512.661       141.6989 ?        ?        250.1822 11.88077 0.000000       11.88077 
1 1 1 4   16  3  o 100.7069 11.64993 247.6658       55.05754 0.000000       0.000000 247.6658       55.05754 ?        ?        100.7069 11.64993 0.000000       11.64993 
1 1 1 4   16  4  o 406.6222 9.486026 3974.873       184.4097 0.000000       0.000000 3974.873       184.4097 ?        ?        406.6222 9.486026 0.000000       9.486026 
1 1 1 4   16  5  o 78.70291 15.81839 155.6034       57.45305 0.000000       0.000000 155.6034       57.45305 ?        ?        78.70291 15.81839 0.000000       15.81839 
1 1 1 4   16  6  o 204.9289 9.564523 1011.991       93.44913 0.000000       0.000000 1011.991       93.44913 ?        ?        204.9289 9.564523 0.000000       9.564523 
1 1 1 4   16  7  o 241.6413 11.09480 1409.988       127.8317 0.000000       0.000000 1409.988       127.8317 ?        ?        241.6413 11.09480 0.000000       11.09480 
1 1 1 4   16  8  o 133.8754 12.09480 436.0410       76.57780 0.000000       0.000000 436.0410       76.57780 ?        ?        133.8754 12.09480 0.000000       12.09480 
1 1 1 4   16  9  o 180.3053 10.98191 786.3803       94.21719 0.000000       0.000000 786.3803       94.21719 ?        ?        180.3053 10.98191 0.000000       10.98191 
1 1 1 4   16  10 o 258.0803 9.871488 1605.354       121.5750 0.000000       0.000000 1605.354       121.5750 ?        ?        258.0803 9.871488 0.000000       9.871488 
1 1 1 4   16  11 o 167.3989 12.01113 680.1741       95.48795 0.000000       0.000000 680.1741       95.48795 ?        ?        167.3989 12.01113 0.000000       12.01113 
1 1 1 4   16  12 o 70.55138 15.42291 125.6312       50.56652 83.00970       77.82310 156.7737       66.52288 61.18112 21.48685 78.52518 18.09190 -17.34407      28.08917 
1 1 1 4   16  13 o 64.48956 15.33942 105.1893       46.60165 18.33362       126.0835 118.9322       50.15314 60.36395 25.48289 68.56734 15.64586 -8.203392      29.90269 
1 1 1 4   16  14 o 33.46458 15.66629 -60.78006      62.68263 -92.38734      72.55337 32.25354       124.4755 33.89662 16.15891 61.67090 25.62620 -27.77428      30.29542 
1 1 1 4   16  15 o 169.7295 16.46984 710.3932       131.9677 571.2041       156.5463 1052.228       245.3286 149.9818 22.52765 202.8340 25.88798 -52.85219      34.31738 
1 1 1 4   16  16 o 140.5000 14.35158 485.0714       95.04901 500.9508       115.2782 451.3538       167.9801 141.9397 17.34781 130.9503 27.69773 10.98943       32.68197 
1 1 1 4   16  17 o 157.1958 15.39597 609.0756       114.2240 713.6716       150.2832 465.9969       175.7683 169.0452 18.91926 132.4890 28.58927 36.55627       34.28242 
1 1 1 4   16  18 o 75.95988 29.80423 104.3709       157.9102 346.3025       200.4742 -291.1058      256.3142 112.7037 34.21259 62.93273 30.10223 49.77097       45.57022 
1 1 1 4   16  19 o 96.03683 27.05795 244.5769       129.5179 332.8062       214.8737 194.2283       162.3193 110.4951 35.70046 88.67469 31.03993 21.82038       47.30751 
1 1 1 4   16  20 o 40.99209 18.70363 -47.19862      81.30449 -39.53959      94.02215 -69.90500      161.8889 45.51760 20.50557 58.56337 26.59274 -13.04577      33.58053 
1 1 1 4   16  21 o 218.5965 14.41359 1173.507       149.7937 1181.393       187.2384 1159.486       249.6649 217.6556 18.15885 211.7031 25.15878 5.952499       31.02754 
1 1 1 4   16  22 o 114.3949 20.43807 336.5713       107.6753 292.0861       124.9798 464.6791       212.0899 104.7518 25.25291 128.5869 33.99001 -23.83512      42.34418 
1 1 1 4   16  23 o 49.82874 21.66593 -5.680814      96.24696 -4.880465      108.3863 -8.665388      209.3031 52.84881 22.98525 71.18555 31.42023 -18.33674      38.93010 
1 1 1 4   16  24 o 145.1187 21.02080 544.7852       141.5995 462.6947       175.5529 697.6351       239.5489 129.2390 29.11345 156.6989 33.01908 -27.45995      44.02105 
1 1 1 4   16  25 o 111.8363 31.52024 358.6105       175.7282 43.13368       261.2318 619.3605       237.4951 80.45061 35.32053 145.2575 34.67950 -64.80685      49.49957 
1 1 1 4   16  26 o 168.6879 21.99355 746.8552       173.1533 793.4063       192.2302 546.6220       398.6803 172.5662 23.94436 125.3307 47.84446 47.23550       53.50163 
1 1 1 4   16  27 o 67.41776 27.09997 83.73021       133.6086 196.5652       164.0267 -138.7522      230.3246 85.66809 31.06959 63.68619 29.88350 21.98190       43.10850 
1 1 1 4   16  28 o 78.98049 28.66112 166.4566       139.6096 -66.53384      172.2372 612.7716       238.3849 58.27917 26.82516 139.3439 35.64407 -81.06473      44.61041 
1 1 1 4   16  29 o 125.8726 31.91642 495.2489       192.3081 695.4496       295.2111 347.6642       253.4663 137.5955 41.46306 100.8893 38.23484 36.70621       56.40113 
1 1 1 4   16  30 o 83.93141 31.22354 215.1590       167.3610 290.5880       181.9839 -198.4198      426.1309 94.06458 32.87065 75.65038 36.81899 18.41420       49.35704 
1 1 1 4   16  31 o 83.24500 33.28087 220.1234       200.3704 278.1653       304.8175 175.9604       265.8880 89.27410 38.68869 81.14624 35.62967 8.127861       52.59551 
1 1 1 4   16  32 o 53.24456 24.73316 -40.37090      151.4313 37.50069       184.1251 -203.1425      266.2029 63.02565 28.51570 58.93134 28.77406 4.094315       40.51039 
1 1 1 4   16  33 o 51.92590 25.33392 -178.9655      205.2113 -809.4994      325.3144 237.7608       264.4688 49.03642 24.97432 78.87178 35.03965 -29.83537      43.02899 
1 1 1 4   17  0  o 103.0341 15.35997 263.3115       73.35385 0.000000       0.000000 263.3115       73.35385 ?        ?        103.0341 15.35997 0.000000       15.35997 
1 1 1 4   17  1  o 124.1969 10.95916 374.6473       64.40543 0.000000       0.000000 374.6473       64.40543 ?        ?        124.1969 10.95916 0.000000       10.95916 
1 1 1 4   17  2  o 270.4777 12.08332 1770.241       155.8578 0.000000       0.000000 1770.241       155.8578 ?        ?        270.4777 12.08332 0.000000       12.08332 
1 1 1 4   17  3  o 55.28012 18.05920 72.28751       54.89972 0.000000       0.000000 72.28751       54.89972 ?        ?        55.28012 18.05920 0.000000       18.05920 
1 1 1 4   17  4  o 152.6277 11.34337 564.9822       82.18031 0.000000       0.000000 564.9822       82.18031 ?        ?        152.6277 11.34337 0.000000       11.34337 
1 1 1 4   17  5  o 93.13332 12.52553 213.3150       54.35852 0.000000       0.000000 213.3150       54.35852 ?        ?        93.13332 12.52553 0.000000       12.52553 
1 1 1 4   17  6  f 100.3963 12.14427 246.9691       57.10718 0.000000       0.000000 246.9691       57.10718 ?        ?        100.3963 12.14427 0.000000       12.14427 
1 1 1 4   17  7  o 182.3765 10.07620 803.5029       87.51509 0.000000       0.000000 803.5029       87.51509 ?        ?        182.3765 10.07620 0.000000       10.07620 
1 1 1 4   17  8  o 208.2978 9.607206 1046.623       95.41553 0.000000       0.000000 1046.623       95.41553 ?        ?        208.2978 9.607206 0.000000       9.607206 
1 1 1 4   17  9  o 220.1017 11.97256 1174.295       125.5106 0.000000       0.000000 1174.295       125.5106 ?        ?        220.1017 11.97256 0.000000       11.97256 
1 1 1 4   17  10 o 149.6630 11.81957 544.6441       83.88551 0.000000       0.000000 544.6441       83.88551 ?        ?        149.6630 11.81957 0.000000       11.81957 
1 1 1 4   17  11 o 179.3365 12.40000 782.0470       105.6615 0.000000       0.000000 782.0470       105.6615 ?        ?        179.3365 12.40000 0.000000       12.40000 
1 1 1 4   17  12 o 69.92120 15.74348 123.8981       51.35701 0.000000       0.000000 123.8981       51.35701 ?        ?        69.92120 15.74348 0.000000       15.74348 
1 1 1 4   17  13 o 148.4367 10.85766 534.9848       76.51937 732.0475       145.2916 459.3448       90.01479 171.6862 17.96667 136.7636 13.96254 34.92264       22.75420 
1 1 1 4   17  14 o 357.8281 8.850564 3083.150       151.4097 3261.598       347.1298 3041.224       168.2589 362.0931 20.13150 354.9201 9.925806 7.173004       22.44547 
1 1 1 4   17  15 o 150.5814 10.65218 550.6879       76.19140 565.8230       158.0917 546.1089       86.95646 148.5858 22.99701 149.5690 12.26824 -0.9832306     26.06477 
1 1 1 4   17  16 o 325.6472 10.48886 2565.953       163.0861 2690.197       192.5791 2250.927       306.6520 332.7745 12.12488 299.1728 21.58464 33.60168       24.75701 
1 1 1 4   17  17 o 52.11144 20.67314 40.06147       76.72929 3.881961       88.71137 147.5124       152.8808 49.41774 21.13646 80.98120 29.89452 -31.56346      36.61192 
1 1 1 4   17  18 o 250.5560 13.81979 1536.073       164.9032 1688.238       216.4796 1325.714       254.5306 260.9547 17.45208 227.6469 23.73497 33.30786       29.46055 
1 1 1 4   17  19 o 250.6176 15.90800 1549.568       189.6217 1742.275       242.8258 1248.408       303.5596 263.8581 19.38465 216.3460 30.16788 47.51204       35.85896 
1 1 1 4   17  20 o 514.5486 12.40372 6444.601       305.1313 6821.512       348.3414 5201.804       632.5364 528.0811 13.80921 442.6199 30.06993 85.46121       33.08920 
1 1 1 4   17  21 o 129.0537 31.41681 464.5391       191.9913 658.4044       238.1474 104.6033       324.4953 152.9053 33.50500 92.97722 40.10474 59.92804       52.25874 
1 1 1 4   17  22 o 110.9654 28.69843 341.7205       153.3774 268.6425       215.9370 416.1284       217.8930 99.29653 35.69690 119.1504 35.55707 -19.85388      50.38427 
1 1 1 4   17  23 o 89.09790 31.82099 209.5175       171.2885 269.4844       192.5339 -18.10454      375.1098 98.15764 33.83710 88.06184 40.17802 10.09579       52.52831 
1 1 1 4   17  24 o 62.87605 27.09413 22.72245       147.8204 -258.1944      195.2966 399.5370       226.1881 52.32533 25.34009 114.6848 36.58711 -62.35950      44.50547 
1 1 1 4   17  25 o 248.2000 15.52767 1543.308       183.3307 1802.078       227.9326 1069.162       308.5357 266.1992 18.01595 189.3753 35.37858 76.82390       39.70162 
1 1 1 4   17  26 o 207.5839 20.06599 1124.588       196.6621 1115.250       221.2640 1159.715       429.1383 204.0243 23.08938 175.4043 49.19362 28.62006       54.34272 
1 1 1 4   17  27 o 127.2563 25.07698 457.1241       147.1398 424.6605       181.2328 519.9045       252.0293 117.1582 31.62524 122.6318 38.55884 -5.473572      49.86923 
1 1 1 4   17  28 o 125.1592 32.19291 501.2977       193.7208 500.7668       285.1888 501.7525       263.9656 113.7816 41.00834 115.8542 39.63081 -2.072609      57.02880 
1 1 1 4   17  29 o 72.64502 28.41969 141.1736       143.2245 293.1219       172.1539 -200.4590      258.1358 94.22690 32.00955 60.64731 29.31283 33.57959       43.40338 
1 1 1 4   17  30 o 156.5716 26.47178 742.8257       191.0989 797.8526       209.5497 470.9854       465.7539 159.7890 28.47461 95.85538 44.11776 63.93366       52.50885 
1 1 1 4   17  31 o 79.47440 33.35838 225.1643       214.0996 265.4970       312.4695 189.4722       293.9440 82.35685 37.21581 77.77914 35.51712 4.577705       51.44397 
1 1 1 4   18  0  o 132.0157 13.37939 426.8856       83.27948 0.000000       0.000000 426.8856       83.27948 ?        ?        132.0157 13.37939 0.000000       13.37939 
1 1 1 4   18  1  o 216.3288 11.43256 1133.815       117.8206 0.000000       0.000000 1133.815       117.8206 ?        ?        216.3288 11.43256 0.000000       11.43256 
1 1 1 4   18  2  o 152.6138 10.98625 565.1306       79.62247 0.000000       0.000000 565.1306       79.62247 ?        ?        152.6138 10.98625 0.000000       10.98625 
1 1 1 4   18  3  o 127.9141 13.19524 400.7855       79.53783 0.000000       0.000000 400.7855       79.53783 ?        ?        127.9141 13.19524 0.000000       13.19524 
1 1 1 4   18  4  o 185.6536 11.02107 835.1236       97.38156 0.000000       0.000000 835.1236       97.38156 ?        ?        185.6536 11.02107 0.000000       11.02107 
1 1 1 4   18  5  o 40.33550 15.05226 30.42165       38.95410 0.000000       0.000000 30.42165       38.95410 ?        ?        40.33550 15.05226 0.000000       15.05226 
1 1 1 4   18  6  o 254.6986 9.449841 1564.712       114.8698 0.000000       0.000000 1564.712       114.8698 ?        ?        254.6986 9.449841 0.000000       9.449841 
1 1 1 4   18  7  o 86.32014 13.18651 184.7633       52.69525 0.000000       0.000000 184.7633       52.69525 ?        ?        86.32014 13.18651 0.000000       13.18651 
1 1 1 4   18  8  o 83.16311 13.51039 172.1104       51.87451 0.000000       0.000000 172.1104       51.87451 ?        ?        83.16311 13.51039 0.000000       13.51039 
1 1 1 4   18  9  o 77.80536 19.01396 155.2246       70.11852 0.000000       0.000000 155.2246       70.11852 ?        ?        77.80536 19.01396 0.000000       19.01396 
1 1 1 4   18  10 o 84.88656 14.31070 180.0700       56.01431 0.000000       0.000000 180.0700       56.01431 ?        ?        84.88656 14.31070 0.000000       14.31070 
1 1 1 4   18  11 o 312.1729 9.772435 2353.222       145.6703 0.000000       0.000000 2353.222       145.6703 ?        ?        312.1729 9.772435 0.000000       9.772435 
1 1 1 4   18  12 o 316.8329 14.62571 2455.316       220.9440 0.000000       0.000000 2455.316       220.9440 ?        ?        316.8329 14.62571 0.000000       14.62571 
1 1 1 4   18  13 o 216.8934 10.46500 1139.578       108.1959 0.000000       0.000000 1139.578       108.1959 ?        ?        216.8934 10.46500 0.000000       10.46500 
1 1 1 4   18  14 o 218.0254 9.794493 1149.813       101.8327 1206.046       171.9247 1119.423       126.3887 221.0121 16.38759 214.3657 12.38504 6.646378       20.54123 
1 1 1 4   18  15 o 105.7708 13.06582 276.1297       64.66779 496.6555       147.9782 224.0728       71.89645 138.7242 23.12559 94.19130 16.57047 44.53291       28.44949 
1 1 1 4   18  16 o 215.9254 9.141900 1126.747       94.15961 1235.989       179.1032 1085.020       110.6910 223.3175 16.90084 211.3704 10.99144 11.94714       20.16060 
1 1 1 4   18  17 o 26.23604 13.15036 -198.8941      70.82270 -246.5609      79.45089 -14.49486      156.2681 26.73121 13.46885 62.06804 27.28175 -35.33683      30.42537 
1 1 1 4   18  18 o 150.5736 15.54185 563.8979       110.2762 687.2948       134.3258 308.8052       193.1330 165.6897 17.20756 105.5458 33.82259 60.14389       37.94823 
1 1 1 4   18  19 o 46.75063 20.20532 -1.288473      82.68687 -118.1044      93.60824 413.5301       176.3973 38.04059 18.19459 121.6325 30.41631 -83.59195      35.44284 
1 1 1 4   18  20 o 175.9901 21.86035 802.8986       179.9778 930.0696       218.2490 532.6125       318.1779 187.4621 24.97237 129.3979 43.51824 58.06416       50.17426 
1 1 1 4   18  21 o 158.7295 21.98042 658.4861       162.3311 1076.964       248.1755 345.5585       214.6074 199.9348 26.62463 108.4186 35.72141 91.51620       44.55211 
1 1 1 4   18  22 o 180.0223 21.32224 844.1711       179.9544 913.1372       257.0315 777.8628       252.0303 179.6375 31.05110 163.5569 33.36271 16.08058       45.57676 
1 1 1 4   18  23 o 152.1928 22.51190 614.7766       158.8653 710.8059       215.9133 501.4199       234.5855 158.5117 29.57880 127.1108 36.61504 31.40091       47.06981 
1 1 1 4   18  24 o 185.6348 16.84781 878.9467       147.8973 1067.287       180.4580 493.6221       258.1178 203.1751 18.79076 121.9771 39.10228 81.19792       43.38296 
1 1 1 4   18  25 o 74.57394 28.84117 138.9685       146.1829 205.9149       155.8596 -350.5045      421.4384 84.54153 30.33531 73.78024 36.06302 10.76128       47.12507 
1 1 1 4   18  26 o 180.9757 19.58798 873.8491       166.7817 938.1740       202.7930 739.4074       293.1777 183.3864 23.68250 141.3448 40.99884 42.04155       47.34729 
1 1 1 4   18  27 f 91.11359 29.46576 260.6870       146.3553 203.1862       171.7835 412.9377       279.5272 82.10728 31.39065 103.2986 39.90032 -21.19134      50.76818 
1 1 1 4   18  28 o 89.51706 33.99155 280.3643       200.5654 119.9334       289.3023 428.8269       278.3021 77.82822 35.42215 101.5297 39.64607 -23.70150      53.16521 
1 1 1 4   18  29 f 49.62984 23.87084 -134.0518      166.2448 -204.9574      177.0193 395.7944       483.8997 47.85881 23.38852 88.92130 42.20140 -41.06250      48.24916 
1 1 1 4   19  0  o 306.9065 9.650123 2272.640       141.4188 0.000000       0.000000 2272.640       141.4188 ?        ?        306.9065 9.650123 0.000000       9.650123 
1 1 1 4   19  1  o 240.5479 9.400388 1396.246       107.8993 0.000000       0.000000 1396.246       107.8993 ?        ?        240.5479 9.400388 0.000000       9.400388 
1 1 1 4   19  2  o 249.6025 11.27724 1509.306       134.2260 0.000000       0.000000 1509.306       134.2260 ?        ?        249.6025 11.27724 0.000000       11.27724 
1 1 1 4   19  3  o 129.8370 12.81336 412.7456       78.50143 0.000000       0.000000 412.7456       78.50143 ?        ?        129.8370 12.81336 0.000000       12.81336 
1 1 1 4   19  4  o 133.1723 11.67202 432.3887       73.56300 0.000000       0.000000 432.3887       73.56300 ?        ?        133.1723 11.67202 0.000000       11.67202 
1 1 1 4   19  5  o 224.7347 10.01679 1220.895       107.3530 0.000000       0.000000 1220.895       107.3530 ?        ?        224.7347 10.01679 0.000000       10.01679 
1 1 1 4   19  6  o 300.4630 13.25573 2197.722       189.9472 0.000000       0.000000 2197.722       189.9472 ?        ?        300.4630 13.25573 0.000000       13.25573 
1 1 1 4   19  7  o 271.6351 11.79621 1790.454       152.8270 0.000000       0.000000 1790.454       152.8270 ?        ?        271.6351 11.79621 0.000000       11.79621 
1 1 1 4   19  8  o 247.2934 9.853065 1477.937       116.2577 0.000000       0.000000 1477.937       116.2577 ?        ?        247.2934 9.853065 0.000000       9.853065 
1 1 1 4   19  9  o 142.5501 12.51791 496.9352       84.44614 0.000000       0.000000 496.9352       84.44614 ?        ?        142.5501 12.51791 0.000000       12.51791 
1 1 1 4   19  10 o 171.7469 12.05490 718.9365       98.35439 0.000000       0.000000 718.9365       98.35439 ?        ?        171.7469 12.05490 0.000000       12.05490 
1 1 1 4   19  11 o 214.2048 12.70157 1119.163       129.4913 0.000000       0.000000 1119.163       129.4913 ?        ?        214.2048 12.70157 0.000000       12.70157 
1 1 1 4   19  12 o 80.62395 15.52135 164.4921       57.65685 0.000000       0.000000 164.4921       57.65685 ?        ?        80.62395 15.52135 0.000000       15.52135 
1 1 1 4   19  13 o 57.41579 20.46503 73.09524       70.81287 0.000000       0.000000 73.09524       70.81287 ?        ?        57.41579 20.46503 0.000000       20.46503 
1 1 1 4   19  14 o 284.5796 13.34069 1982.741       181.0006 0.000000       0.000000 1982.741       181.0006 ?        ?        284.5796 13.34069 0.000000       13.34069 
1 1 1 4   19  15 o 272.0818 13.72587 1818.615       177.9682 0.000000       0.000000 1818.615       177.9682 ?        ?        272.0818 13.72587 0.000000       13.72587 
1 1 1 4   19  16 o 344.2811 9.118680 2868.705       149.9585 3030.293       332.8357 2827.550       167.9732 345.6694 20.22846 341.2176 10.30857 4.451813       22.70368 
1 1 1 4   19  17 o 117.7002 13.41068 344.0550       74.11879 413.9281       116.0613 295.9326       96.31767 126.6787 19.81216 106.8240 19.58081 19.85474       27.85551 
1 1 1 4   19  18 f 212.9741 10.31110 1105.055       104.6762 1248.697       177.4184 1028.356       129.6451 223.0742 16.75821 204.1310 13.35768 18.94322       21.43047 
1 1 1 4   19  19 o 140.7775 18.78228 508.7741       123.2612 585.5816       133.4139 60.96526       322.1406 151.1167 18.87688 87.23235 38.71748 63.88440       43.07412 
1 1 1 4   19  20 o 69.84698 28.22750 87.71342       145.8095 -167.8730      221.8879 281.9618       193.4387 61.16619 28.89460 98.88171 33.92286 -37.71552      44.56073 
1 1 1 4   19  21 o 75.38715 29.36180 129.4969       152.3282 154.5327       226.7458 108.9038       205.6457 84.53983 34.80597 78.31569 32.77051 6.224136       47.80545 
1 1 1 4   19  22 o 68.30623 28.29568 80.37368       151.1020 -84.36707      215.1771 240.6390       212.2342 63.55552 29.50914 91.28821 34.89361 -27.73269      45.69851 
1 1 1 4   19  23 o 48.86632 23.24259 -132.7833      148.3892 -193.2061      198.2853 -55.86748      223.7166 54.32221 26.11287 65.51460 30.30383 -11.19239      40.00255 
1 1 1 4   19  24 o 51.57918 22.97151 -8.098467      114.3865 -14.09538      119.1095 63.05288       410.2739 51.90012 23.25451 85.00016 39.88444 -33.10004      46.16861 
1 1 1 4   19  25 o 45.54772 21.29300 -72.76122      115.1203 -1.829451      126.4834 -415.1696      277.8979 54.10069 24.12116 55.77235 27.64310 -1.671654      36.68748 
1 1 1 4   19  26 o 61.27360 25.31217 76.29218       120.4596 87.82653       132.4297 21.00247       289.9421 64.01784 26.50178 72.48090 33.85384 -8.463066      42.99334 
1 1 1 4   19  27 o 116.2785 29.11176 445.6382       161.4525 555.4808       187.7445 133.7734       316.3480 127.9551 31.01676 76.93848 35.74246 51.01658       47.32402 
1 1 1 4   19  28 o 73.31395 33.48178 142.0876       261.3125 63.30693       298.4569 400.8120       540.8671 70.65138 33.41607 85.24154 41.48557 -14.59016      53.26994 
1 1 1 4   20  0  o 163.7422 13.17616 657.8029       102.2771 0.000000       0.000000 657.8029       102.2771 ?        ?        163.7422 13.17616 0.000000       13.17616 
1 1 1 4   20  1  o 302.7485 9.973774 2218.643       144.1640 0.000000       0.000000 2218.643       144.1640 ?        ?        302.7485 9.973774 0.000000       9.973774 
1 1 1 4   20  2  o 57.46155 18.02122 81.61464       55.08664 0.000000       0.000000 81.61464       55.08664 ?        ?        57.46155 18.02122 0.000000       18.02122 
1 1 1 4   20  3  o 86.68472 17.93698 192.6260       71.88358 0.000000       0.000000 192.6260       71.88358 ?        ?        86.68472 17.93698 0.000000       17.93698 
1 1 1 4   20  4  o 28.01780 12.97764 -33.67437      41.24119 0.000000       0.000000 -33.67437      41.24119 ?        ?        28.01780 12.97764 0.000000       12.97764 
1 1 1 4   20  5  o 215.3461 10.22554 1124.749       104.9758 0.000000       0.000000 1124.749       104.9758 ?        ?        215.3461 10.22554 0.000000       10.22554 
1 1 1 4   20  6  o 91.32716 15.25881 210.0025       64.27490 0.000000       0.000000 210.0025       64.27490 ?        ?        91.32716 15.25881 0.000000       15.25881 
1 1 1 4   20  7  f 97.55441 15.81986 239.8824       71.25827 0.000000       0.000000 239.8824       71.25827 ?        ?        97.55441 15.81986 0.000000       15.81986 
1 1 1 4   20  8  o 197.8002 12.89486 958.6010       121.2768 0.000000       0.000000 958.6010       121.2768 ?        ?        197.8002 12.89486 0.000000       12.89486 
1 1 1 4   20  9  o 197.2927 11.23475 948.5161       105.5320 0.000000       0.000000 948.5161       105.5320 ?        ?        197.2927 11.23475 0.000000       11.23475 
1 1 1 4   20  10 o 188.1266 14.17301 873.0352       126.5362 0.000000       0.000000 873.0352       126.5362 ?        ?        188.1266 14.17301 0.000000       14.17301 
1 1 1 4   20  11 o 49.61286 17.02000 56.85475       48.69418 0.000000       0.000000 56.85475       48.69418 ?        ?        49.61286 17.02000 0.000000       17.02000 
1 1 1 4   20  12 f 283.7347 10.14679 1955.025       137.4199 0.000000       0.000000 1955.025       137.4199 ?        ?        283.7347 10.14679 0.000000       10.14679 
1 1 1 4   20  13 o 220.6026 12.60116 1194.390       132.3486 0.000000       0.000000 1194.390       132.3486 ?        ?        220.6026 12.60116 0.000000       12.60116 
1 1 1 4   20  14 o 261.0912 13.77751 1681.539       171.3687 0.000000       0.000000 1681.539       171.3687 ?        ?        261.0912 13.77751 0.000000       13.77751 
1 1 1 4   20  15 o 162.6528 12.79541 652.6769       98.69960 0.000000       0.000000 652.6769       98.69960 ?        ?        162.6528 12.79541 0.000000       12.79541 
1 1 1 4   20  16 o 121.1728 18.95195 379.3355       106.1965 0.000000       0.000000 379.3355       106.1965 ?        ?        121.1728 18.95195 0.000000       18.95195 
1 1 1 4   20  17 o 250.4770 11.66755 1539.838       139.3352 1707.189       260.0269 1472.431       165.0278 256.1036 21.43344 243.3745 14.24546 12.72910       25.73569 
1 1 1 4   20  18 o 83.95032 17.91425 185.1613       69.70851 351.7869       178.5149 155.1824       75.72019 108.4589 32.13934 76.08778 20.39973 32.37108       38.06687 
1 1 1 4   20  19 o 160.8375 12.24047 642.4987       93.41571 679.0407       204.0032 632.8034       105.0799 153.4075 28.87449 158.7111 13.99166 -5.303604      32.08586 
1 1 1 4   20  20 o 55.30983 19.95726 72.37017       67.56785 -171.5806      272.1157 88.39941       69.75237 65.59125 31.27530 59.18594 20.36808 6.405308       37.32296 
1 1 1 4   20  21 o 62.87677 27.70375 24.94548       162.0396 156.6736       232.7477 -98.95954      225.7307 81.38966 34.50314 62.79983 29.50434 18.58982       45.39794 
1 1 1 4   20  22 o 65.88879 28.59875 55.96986       167.0892 231.1103       243.8616 -99.01470      229.4006 87.47278 36.06299 62.68032 29.53963 24.79245       46.61683 
1 1 1 4   20  23 o 43.24166 20.92237 -160.1433      132.3865 -113.7488      138.1214 -684.2916      464.2527 47.19175 22.43981 66.00657 33.16541 -18.81482      40.04359 
1 1 1 4   20  24 o 107.0087 27.74121 362.5744       143.0866 346.0797       163.4550 416.6620       295.9885 100.9654 30.94094 98.00266 39.99129 2.962761       50.56327 
1 1 1 4   20  25 o 80.99538 30.74791 225.3184       164.0887 199.1092       191.4581 297.8366       318.4719 77.67335 31.98148 85.48886 38.18471 -7.815514      49.80851 
1 1 1 4   21  0  o 57.24202 21.77007 64.17253       82.34760 0.000000       0.000000 64.17253       82.34760 ?        ?        57.24202 21.77007 0.000000       21.77007 
1 1 1 4   21  1  o 167.4788 11.94464 687.1952       95.01257 0.000000       0.000000 687.1952       95.01257 ?        ?        167.4788 11.94464 0.000000       11.94464 
1 1 1 4   21  2  o 23.92867 11.67093 -78.04178      43.45818 0.000000       0.000000 -78.04178      43.45818 ?        ?        23.92867 11.67093 0.000000       11.67093 
1 1 1 4   21  3  f 193.6408 11.94549 917.5367       110.0500 0.000000       0.000000 917.5367       110.0500 ?        ?        193.6408 11.94549 0.000000       11.94549 
1 1 1 4   21  4  o 278.5239 12.76584 1900.788       169.5367 0.000000       0.000000 1900.788       169.5367 ?        ?        278.5239 12.76584 0.000000       12.76584 
1 1 1 4   21  5  o 120.4255 13.88749 360.4881       78.49322 0.000000       0.000000 360.4881       78.49322 ?        ?        120.4255 13.88749 0.000000       13.88749 
1 1 1 4   21  6  o 337.1119 9.952018 2757.927       160.2204 0.000000       0.000000 2757.927       160.2204 ?        ?        337.1119 9.952018 0.000000       9.952018 
1 1 1 4   21  7  o 193.4799 12.85330 920.4151       118.2196 0.000000       0.000000 920.4151       118.2196 ?        ?        193.4799 12.85330 0.000000       12.85330 
1 1 1 4   21  8  o 142.2826 13.09558 500.3223       88.08234 0.000000       0.000000 500.3223       88.08234 ?        ?        142.2826 13.09558 0.000000       13.09558 
1 1 1 4   21  9  o 232.5354 13.48647 1333.285       149.2891 0.000000       0.000000 1333.285       149.2891 ?        ?        232.5354 13.48647 0.000000       13.48647 
1 1 1 4   21  10 o 274.3001 13.91516 1859.194       181.8870 0.000000       0.000000 1859.194       181.8870 ?        ?        274.3001 13.91516 0.000000       13.91516 
1 1 1 4   21  11 o 123.2331 14.58852 380.7050       84.28525 0.000000       0.000000 380.7050       84.28525 ?        ?        123.2331 14.58852 0.000000       14.58852 
1 1 1 4   21  12 o 32.31711 15.08167 -49.71959      57.34554 0.000000       0.000000 -49.71959      57.34554 ?        ?        32.31711 15.08167 0.000000       15.08167 
1 1 1 4   21  13 o 88.37876 17.82737 204.1337       72.72400 0.000000       0.000000 204.1337       72.72400 ?        ?        88.37876 17.82737 0.000000       17.82737 
1 1 1 4   21  14 o 123.3307 18.46129 395.8594       105.5105 0.000000       0.000000 395.8594       105.5105 ?        ?        123.3307 18.46129 0.000000       18.46129 
1 1 1 4   21  15 o 144.6451 16.07170 534.1900       109.2668 0.000000       0.000000 534.1900       109.2668 ?        ?        144.6451 16.07170 0.000000       16.07170 
1 1 1 4   21  16 o 100.7760 16.72890 264.4862       77.77471 0.000000       0.000000 264.4862       77.77471 ?        ?        100.7760 16.72890 0.000000       16.72890 
1 1 1 4   21  17 o 121.4439 15.49349 379.0143       87.91103 0.000000       0.000000 379.0143       87.91103 ?        ?        121.4439 15.49349 0.000000       15.49349 
1 1 1 4   21  18 o 138.3475 15.44329 491.7835       100.4056 0.000000       0.000000 491.7835       100.4056 ?        ?        138.3475 15.44329 0.000000       15.44329 
1 1 1 4   21  19 o 69.87650 21.07199 134.9834       76.22660 0.000000       0.000000 134.9834       76.22660 ?        ?        69.87650 21.07199 0.000000       21.07199 
1 1 1 4   21  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   21  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   21  22 o 160.7745 25.19500 777.7392       187.3029 727.7432       267.9805 825.4910       261.8970 133.3499 39.34249 147.7310 37.12912 -14.38107      54.09624 
1 1 1 4   22  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22  7  o 114.8149 35.21005 415.2305       211.6251 0.000000       0.000000 415.2305       211.6251 ?        ?        114.8149 35.21005 0.000000       35.21005 
1 1 1 4   22  8  o 91.04989 34.31597 237.7476       203.5217 0.000000       0.000000 237.7476       203.5217 ?        ?        91.04989 34.31597 0.000000       34.31597 
1 1 1 4   22  9  o 44.77202 21.74623 -205.5559      146.6205 0.000000       0.000000 -205.5559      146.6205 ?        ?        44.77202 21.74623 0.000000       21.74623 
1 1 1 4   22  10 o 102.8286 31.08898 320.9159       165.7715 0.000000       0.000000 320.9159       165.7715 ?        ?        102.8286 31.08898 0.000000       31.08898 
1 1 1 4   22  11 o 61.51882 19.55529 99.06404       64.66374 0.000000       0.000000 99.06404       64.66374 ?        ?        61.51882 19.55529 0.000000       19.55529 
1 1 1 4   22  12 o 149.5170 13.47493 562.3398       95.28952 0.000000       0.000000 562.3398       95.28952 ?        ?        149.5170 13.47493 0.000000       13.47493 
1 1 1 4   22  13 o 95.79107 24.27465 261.3820       111.2897 0.000000       0.000000 261.3820       111.2897 ?        ?        95.79107 24.27465 0.000000       24.27465 
1 1 1 4   22  14 o 131.4759 18.77105 458.9709       114.6437 0.000000       0.000000 458.9709       114.6437 ?        ?        131.4759 18.77105 0.000000       18.77105 
1 1 1 4   22  15 o 64.15337 20.51254 111.3446       71.06605 0.000000       0.000000 111.3446       71.06605 ?        ?        64.15337 20.51254 0.000000       20.51254 
1 1 1 4   22  16 o 64.11250 21.28531 112.0457       76.15481 0.000000       0.000000 112.0457       76.15481 ?        ?        64.11250 21.28531 0.000000       21.28531 
1 1 1 4   22  17 o 99.01218 17.63486 264.6919       80.41656 0.000000       0.000000 264.6919       80.41656 ?        ?        99.01218 17.63486 0.000000       17.63486 
1 1 1 4   22  18 o 91.43970 19.37898 233.6779       82.08251 0.000000       0.000000 233.6779       82.08251 ?        ?        91.43970 19.37898 0.000000       19.37898 
1 1 1 4   22  19 o 44.89425 20.36512 -19.98616      94.64912 0.000000       0.000000 -19.98616      94.64912 ?        ?        44.89425 20.36512 0.000000       20.36512 
1 1 1 4   23  0  f 75.07782 17.84478 151.9264       63.10433 0.000000       0.000000 151.9264       63.10433 ?        ?        75.07782 17.84478 0.000000       17.84478 
1 1 1 4   23  1  o 99.54523 19.73269 269.1401       90.59123 0.000000       0.000000 269.1401       90.59123 ?        ?        99.54523 19.73269 0.000000       19.73269 
1 1 1 4   23  2  o 95.33524 19.36901 246.2681       85.26653 0.000000       0.000000 246.2681       85.26653 ?        ?        95.33524 19.36901 0.000000       19.36901 
1 1 1 4   23  3  o 150.0946 14.48260 574.0803       102.6359 0.000000       0.000000 574.0803       102.6359 ?        ?        150.0946 14.48260 0.000000       14.48260 
1 1 1 4   23  4  o 118.5019 24.24939 399.3366       132.7503 0.000000       0.000000 399.3366       132.7503 ?        ?        118.5019 24.24939 0.000000       24.24939 
1 1 1 4   23  5  o 84.98048 21.50911 201.8070       87.45097 0.000000       0.000000 201.8070       87.45097 ?        ?        84.98048 21.50911 0.000000       21.50911 
1 1 1 4   23  6  o 63.74796 22.03749 107.1635       81.68844 0.000000       0.000000 107.1635       81.68844 ?        ?        63.74796 22.03749 0.000000       22.03749 
1 1 1 4   23  7  o 66.05460 26.58206 96.15569       128.7064 0.000000       0.000000 96.15569       128.7064 ?        ?        66.05460 26.58206 0.000000       26.58206 
1 1 1 4   23  8  o 110.2980 13.58457 310.5710       70.12275 0.000000       0.000000 310.5710       70.12275 ?        ?        110.2980 13.58457 0.000000       13.58457 
1 1 1 4   23  9  o 156.5052 13.11807 620.0481       97.25146 0.000000       0.000000 620.0481       97.25146 ?        ?        156.5052 13.11807 0.000000       13.11807 
1 1 1 4   23  10 f 113.5490 14.25322 332.1048       75.67531 0.000000       0.000000 332.1048       75.67531 ?        ?        113.5490 14.25322 0.000000       14.25322 
1 1 1 4   23  11 o 95.08979 20.27148 252.1283       89.33947 0.000000       0.000000 252.1283       89.33947 ?        ?        95.08979 20.27148 0.000000       20.27148 
1 1 1 4   23  12 o 109.4691 19.57281 330.5513       98.67578 0.000000       0.000000 330.5513       98.67578 ?        ?        109.4691 19.57281 0.000000       19.57281 
1 1 1 4   23  13 o 61.18845 20.00860 102.9225       67.38406 0.000000       0.000000 102.9225       67.38406 ?        ?        61.18845 20.00860 0.000000       20.00860 
1 1 1 5   -18 0  o 67.77988 23.62839 124.0549       94.00163 124.0549       94.00163 0.000000       0.000000 67.77988 23.62839 ?        ?        0.000000       23.62839 
1 1 1 5   -18 1  o 119.9155 16.89568 377.4375       94.18155 377.4375       94.18155 0.000000       0.000000 119.9155 16.89568 ?        ?        0.000000       16.89568 
1 1 1 5   -18 2  o 163.2582 14.33239 679.6585       110.7329 679.6585       110.7329 0.000000       0.000000 163.2582 14.33239 ?        ?        0.000000       14.33239 
1 1 1 5   -18 3  o 137.4851 16.10493 491.7507       103.8538 491.7507       103.8538 0.000000       0.000000 137.4851 16.10493 ?        ?        0.000000       16.10493 
1 1 1 5   -18 4  o 157.5983 18.04437 658.5278       133.5086 658.5278       133.5086 0.000000       0.000000 157.5983 18.04437 ?        ?        0.000000       18.04437 
1 1 1 5   -18 5  o 31.32257 15.26874 -118.6344      74.09113 -118.6344      74.09113 0.000000       0.000000 31.32257 15.26874 ?        ?        0.000000       15.26874 
1 1 1 5   -18 6  o 132.4584 16.41966 460.6534       101.7557 460.6534       101.7557 0.000000       0.000000 132.4584 16.41966 ?        ?        0.000000       16.41966 
1 1 1 5   -18 7  o 52.57227 23.79856 -17.28638      128.4467 -17.28638      128.4467 0.000000       0.000000 52.57227 23.79856 ?        ?        0.000000       23.79856 
1 1 1 5   -18 8  o 55.97409 21.39912 73.07256       79.83002 73.07256       79.83002 0.000000       0.000000 55.97409 21.39912 ?        ?        0.000000       21.39912 
1 1 1 5   -17 0  o 46.10007 19.28056 19.24912       71.13236 19.24912       71.13236 0.000000       0.000000 46.10007 19.28056 ?        ?        0.000000       19.28056 
1 1 1 5   -17 1  o 67.89023 21.57312 121.9281       78.70272 121.9281       78.70272 0.000000       0.000000 67.89023 21.57312 ?        ?        0.000000       21.57312 
1 1 1 5   -17 2  o 64.05586 22.38279 102.8859       84.38029 102.8859       84.38029 0.000000       0.000000 64.05586 22.38279 ?        ?        0.000000       22.38279 
1 1 1 5   -17 3  o 134.7949 15.92627 463.8820       100.6553 463.8820       100.6553 0.000000       0.000000 134.7949 15.92627 ?        ?        0.000000       15.92627 
1 1 1 5   -17 4  o 154.4622 14.48339 601.7242       105.7073 601.7242       105.7073 0.000000       0.000000 154.4622 14.48339 ?        ?        0.000000       14.48339 
1 1 1 5   -17 5  o 300.0815 11.09084 2216.291       158.8416 2216.291       158.8416 0.000000       0.000000 300.0815 11.09084 ?        ?        0.000000       11.09084 
1 1 1 5   -17 6  o 124.7916 21.06939 418.4877       121.2319 418.4877       121.2319 0.000000       0.000000 124.7916 21.06939 ?        ?        0.000000       21.06939 
1 1 1 5   -17 7  o 93.12061 18.63826 230.6463       80.07941 230.6463       80.07941 0.000000       0.000000 93.12061 18.63826 ?        ?        0.000000       18.63826 
1 1 1 5   -17 8  o 71.25024 20.29093 137.5951       72.44064 200.3367       130.2956 109.5247       87.15172 83.58075 27.84438 65.25577 22.75103 18.32498       35.95718 
1 1 1 5   -17 9  o 90.10585 13.04050 205.9465       54.54514 291.5124       89.67841 155.7056       68.71738 104.7865 18.58117 75.93711 18.98136 28.84940       26.56222 
1 1 1 5   -17 10 o 49.93847 18.82268 53.32985       61.23470 31.62208       95.45379 68.51101       79.82483 52.79913 22.22450 56.03381 21.40421 -3.234684      30.85561 
1 1 1 5   -17 11 o 86.49280 13.80733 192.4224       55.17633 184.1855       108.1779 195.3187       64.14780 79.75426 25.28616 86.08989 16.17936 -6.335625      30.01935 
1 1 1 5   -17 12 o 57.46421 20.54738 82.87258       71.44052 179.0437       188.9093 66.82335       77.17170 79.87148 32.18259 54.88189 21.02530 24.98959       38.44194 
1 1 1 5   -17 13 o 31.10212 14.16562 -23.00080      46.37062 -90.70654      114.3750 -9.682927      50.72663 43.84694 20.72270 34.72616 15.39106 9.120773       25.81308 
1 1 1 5   -16 0  o 285.1512 9.978872 1976.224       135.8298 1976.224       135.8298 0.000000       0.000000 285.1512 9.978872 ?        ?        0.000000       9.978872 
1 1 1 5   -16 1  o 140.1099 13.31114 486.1210       88.09487 486.1210       88.09487 0.000000       0.000000 140.1099 13.31114 ?        ?        0.000000       13.31114 
1 1 1 5   -16 2  f 81.70966 20.37775 176.1112       79.33137 176.1112       79.33137 0.000000       0.000000 81.70966 20.37775 ?        ?        0.000000       20.37775 
1 1 1 5   -16 3  o 255.8422 10.80711 1595.662       131.8896 1595.662       131.8896 0.000000       0.000000 255.8422 10.80711 ?        ?        0.000000       10.80711 
1 1 1 5   -16 4  o 49.98597 20.70702 24.79417       80.92420 24.79417       80.92420 0.000000       0.000000 49.98597 20.70702 ?        ?        0.000000       20.70702 
1 1 1 5   -16 5  o 227.4883 11.43197 1265.619       123.9351 1265.619       123.9351 0.000000       0.000000 227.4883 11.43197 ?        ?        0.000000       11.43197 
1 1 1 5   -16 6  o 282.9772 12.97688 1970.206       175.0945 1970.206       175.0945 0.000000       0.000000 282.9772 12.97688 ?        ?        0.000000       12.97688 
1 1 1 5   -16 7  f 309.0673 7.695166 2306.252       113.7050 2418.861       157.9790 2185.215       163.7842 315.0146 10.50433 298.8318 11.48540 16.18283       15.56456 
1 1 1 5   -16 8  o 70.61654 16.82565 129.8880       55.99351 182.9202       123.9693 116.2962       62.76005 82.34928 27.15040 66.66064 18.85396 15.68864       33.05474 
1 1 1 5   -16 9  o 203.5697 9.023678 1007.870       87.60413 1094.523       114.7249 886.6800       135.6756 211.0898 11.41037 187.9484 15.22959 23.14134       19.02990 
1 1 1 5   -16 10 o 192.7118 10.25532 909.0182       94.14541 1023.991       175.6238 862.6566       111.5232 199.4005 18.63847 186.6260 12.57264 12.77452       22.48252 
1 1 1 5   -16 11 o 176.5323 10.70894 765.8145       89.95630 911.5632       144.0864 672.7178       115.1563 189.5546 16.05011 163.3315 14.91148 26.22305       21.90795 
1 1 1 5   -16 12 f 51.51389 20.68099 42.77937       77.70683 -87.96417      177.9838 73.57028       86.37373 57.70183 26.80720 58.52393 22.28679 -0.8221016     34.86154 
1 1 1 5   -16 13 o 142.0337 11.98888 501.4396       80.65060 548.9727       139.7995 477.7283       98.73810 143.3362 21.02527 136.9710 15.34142 6.365219       26.02731 
1 1 1 5   -16 14 o 68.25836 22.12606 125.0462       82.49534 -64.52803      222.8070 155.1634       88.80682 65.16503 30.17714 74.98027 22.77288 -9.815239      37.80560 
1 1 1 5   -16 15 o 84.57233 20.62239 197.2035       82.62050 94.64741       263.8774 208.3501       86.99463 78.68336 34.97562 86.69700 21.17396 -8.013634      40.88557 
1 1 1 5   -16 16 o 128.2999 14.74677 422.9954       88.81191 323.4811       183.4307 453.4669       101.5024 98.94747 33.03930 131.7980 16.46696 -32.85053      36.91553 
1 1 1 5   -16 17 o 47.25926 17.25932 51.29888       50.73986 195.4520       175.8945 38.21459       52.99260 80.86128 31.53497 44.57572 17.33030 36.28556       35.98324 
1 1 1 5   -15 0  o 240.9044 9.827916 1406.016       112.9541 1406.016       112.9541 0.000000       0.000000 240.9044 9.827916 ?        ?        0.000000       9.827916 
1 1 1 5   -15 1  o 387.8839 14.61115 3696.119       270.4690 3696.119       270.4690 0.000000       0.000000 387.8839 14.61115 ?        ?        0.000000       14.61115 
1 1 1 5   -15 2  f 50.19631 17.35024 57.46931       50.63388 57.46931       50.63388 0.000000       0.000000 50.19631 17.35024 ?        ?        0.000000       17.35024 
1 1 1 5   -15 3  o 195.9593 11.87262 937.6238       110.7078 937.6238       110.7078 0.000000       0.000000 195.9593 11.87262 ?        ?        0.000000       11.87262 
1 1 1 5   -15 4  o 134.0262 13.86229 444.3488       87.54397 444.3488       87.54397 0.000000       0.000000 134.0262 13.86229 ?        ?        0.000000       13.86229 
1 1 1 5   -15 5  o 176.0822 12.10381 758.7117       101.2735 758.7117       101.2735 0.000000       0.000000 176.0822 12.10381 ?        ?        0.000000       12.10381 
1 1 1 5   -15 6  o 224.1835 8.169831 1213.596       87.41743 1226.458       121.4963 1199.790       125.8738 224.3223 11.36579 221.6507 11.92227 2.671555       16.47184 
1 1 1 5   -15 7  o 143.8931 10.83613 505.5023       73.99801 553.3543       119.9714 476.1191       94.01080 148.3222 17.23940 138.5167 14.40625 9.805450       22.46636 
1 1 1 5   -15 8  f 70.06601 13.32624 123.9572       43.00908 253.9714       85.86111 80.40729       49.69294 99.24929 18.78278 56.49742 17.00851 42.75187       25.33934 
1 1 1 5   -15 9  o 106.0616 12.03138 277.6976       59.93076 412.6828       96.02999 191.5839       76.70083 128.1972 16.01673 85.76824 19.18624 42.42895       24.99295 
1 1 1 5   -15 10 f 74.72472 19.07992 145.6798       68.39161 215.8614       144.1076 125.2772       77.69933 89.65647 29.25686 69.70512 21.32714 19.95135       36.20512 
1 1 1 5   -15 11 o 179.3418 11.02434 785.5580       94.06725 792.9592       144.3044 780.0891       124.0447 177.5296 17.21796 177.2324 14.77377 0.2972107      22.68750 
1 1 1 5   -15 12 o 88.32233 19.53783 204.5114       80.31101 11.10784       172.5972 257.9574       90.73169 66.20377 28.89616 99.34882 19.79778 -33.14505      35.02771 
1 1 1 5   -15 13 o 94.98664 13.06247 225.7833       57.75012 243.7838       117.5201 220.0527       66.30853 94.12453 25.49188 92.94981 15.46465 1.174721       29.81596 
1 1 1 5   -15 14 o 218.2196 10.62993 1165.356       110.5666 1463.244       240.2737 1085.331       124.5356 236.5249 21.48224 209.6565 12.48093 26.86835       24.84472 
1 1 1 5   -15 15 o 105.7266 16.41525 287.4831       80.28394 61.58395       162.0401 360.9776       92.42567 68.19606 28.84399 118.5264 16.77915 -50.33035      33.36938 
1 1 1 5   -15 16 o 304.7785 12.92426 2305.174       187.8933 2731.763       292.6260 2005.920       245.0912 325.1657 18.90501 278.9775 18.48013 46.18817       26.43699 
1 1 1 5   -15 17 o 24.76319 11.91794 -59.49319      41.58973 63.86823       254.7378 -62.87148      42.15535 77.76468 34.47702 24.65824 11.90028 53.10644       36.47303 
1 1 1 5   -15 18 o 87.90026 16.64810 203.0118       67.40145 78.30481       251.1712 212.6889       69.96774 77.26794 34.24696 89.90492 16.89840 -12.63698      38.18913 
1 1 1 5   -15 19 o 136.8305 13.04674 472.8602       84.31603 578.0279       173.8703 440.5245       96.41083 140.4914 26.86490 130.4535 15.77853 10.03786       31.15581 
1 1 1 5   -15 20 o 53.43534 18.47573 72.02384       57.41788 -21.01021      160.5931 85.65969       61.48188 57.86418 26.35740 57.21000 19.12843 0.6541862      32.56700 
1 1 1 5   -14 0  o 143.5134 10.94346 501.2130       74.51919 501.2130       74.51919 0.000000       0.000000 143.5134 10.94346 ?        ?        0.000000       10.94346 
1 1 1 5   -14 1  o 177.6803 11.81931 768.7165       99.83055 768.7165       99.83055 0.000000       0.000000 177.6803 11.81931 ?        ?        0.000000       11.81931 
1 1 1 5   -14 2  o 313.3680 9.715957 2372.201       145.3863 2372.201       145.3863 0.000000       0.000000 313.3680 9.715957 ?        ?        0.000000       9.715957 
1 1 1 5   -14 3  o 273.9376 9.615412 1812.783       125.7343 1812.783       125.7343 0.000000       0.000000 273.9376 9.615412 ?        ?        0.000000       9.615412 
1 1 1 5   -14 4  o 218.2764 10.26944 1153.463       106.8667 1153.463       106.8667 0.000000       0.000000 218.2764 10.26944 ?        ?        0.000000       10.26944 
1 1 1 5   -14 5  o 134.1337 12.79475 440.9398       81.05701 440.9398       81.05701 0.000000       0.000000 134.1337 12.79475 ?        ?        0.000000       12.79475 
1 1 1 5   -14 6  o 80.41508 14.40920 162.3378       53.36221 136.5809       74.69678 189.1829       76.25857 72.96355 20.54552 85.80339 19.08302 -12.83984      28.04069 
1 1 1 5   -14 7  o 93.60497 12.82015 216.7415       55.86623 184.5636       83.23261 243.1241       75.36546 84.39565 20.77115 98.21037 16.64499 -13.81473      26.61759 
1 1 1 5   -14 8  o 292.4029 8.546640 2061.485       119.3491 2269.135       203.2957 1952.280       147.4292 304.6256 13.99638 283.7874 10.88650 20.83817       17.73173 
1 1 1 5   -14 9  o 35.48031 15.34657 -4.220207      47.77664 -36.38418      71.52164 21.69738       64.20219 39.13412 17.73262 45.54456 18.61001 -6.410439      25.70560 
1 1 1 5   -14 10 o 123.2771 11.92203 372.7028       69.38945 322.4424       104.5378 412.2887       92.77491 111.9276 20.28226 128.6871 15.38392 -16.75953      25.45653 
1 1 1 5   -14 11 o 400.2433 11.13470 3891.547       212.8573 3911.006       249.9463 3840.184       406.0827 400.0287 13.08676 388.7796 21.93654 11.24905       25.54359 
1 1 1 5   -14 12 o 100.2036 13.75675 250.0952       64.16562 328.4822       108.5396 207.9824       79.55612 112.5378 20.94408 89.62948 19.14744 22.90830       28.37744 
1 1 1 5   -14 13 o 287.1606 9.089085 1995.148       124.6253 2283.183       221.5398 1861.800       150.7377 303.9289 15.29571 276.4219 11.43087 27.50705       19.09512 
1 1 1 5   -14 14 o 70.50024 19.56142 129.0933       68.24792 47.64867       136.2314 156.3824       78.85700 64.46074 26.79921 77.22341 20.86773 -12.76267      33.96557 
1 1 1 5   -14 15 o 127.5637 13.63731 403.6627       81.88075 383.2781       251.2688 406.0845       86.60828 114.0580 38.67230 127.6730 14.44230 -13.61494      41.28107 
1 1 1 5   -14 16 o 52.18811 20.51855 45.84242       74.97321 146.4829       253.1735 36.16837       78.49394 88.01207 36.55727 51.24441 20.71039 36.76766       42.01611 
1 1 1 5   -14 17 o 144.6585 12.88503 518.8497       88.18065 516.7219       161.2655 519.7572       105.3204 137.6918 25.43440 143.6161 15.58889 -5.924332      29.83156 
1 1 1 5   -14 18 o 151.7562 12.86799 572.3710       92.48164 566.3630       167.7001 574.9968       110.8634 143.5865 25.35618 150.7804 15.60450 -7.193878      29.77308 
1 1 1 5   -14 19 o 81.96666 22.35722 183.9629       90.01794 394.1981       251.0496 152.9451       96.43013 109.8600 38.59136 75.11368 23.88074 34.74635       45.38263 
1 1 1 5   -14 20 o 54.36882 21.93522 48.50341       87.88440 -429.6741      279.3482 101.0307       92.58566 57.38603 28.30889 64.27303 23.33799 -6.887001      36.68862 
1 1 1 5   -14 21 o 151.9322 16.68144 597.3611       119.1786 767.5543       308.3470 567.4710       129.2208 144.3654 42.09575 146.5240 18.88527 -2.158661      46.13789 
1 1 1 5   -14 22 o 65.67089 20.85687 117.6492       73.57168 191.9510       186.5448 103.9632       80.06125 81.63065 32.28167 62.83230 21.81192 18.79835       38.95980 
1 1 1 5   -13 0  f 230.7562 11.29423 1290.547       124.2216 1290.547       124.2216 0.000000       0.000000 230.7562 11.29423 ?        ?        0.000000       11.29423 
1 1 1 5   -13 1  o 196.9904 10.26845 938.9153       96.37317 938.9153       96.37317 0.000000       0.000000 196.9904 10.26845 ?        ?        0.000000       10.26845 
1 1 1 5   -13 2  o 44.53036 17.77526 26.04154       57.06814 26.04154       57.06814 0.000000       0.000000 44.53036 17.77526 ?        ?        0.000000       17.77526 
1 1 1 5   -13 3  o 105.6201 13.67223 275.4461       67.42067 275.4461       67.42067 0.000000       0.000000 105.6201 13.67223 ?        ?        0.000000       13.67223 
1 1 1 5   -13 4  o 307.2193 9.888132 2278.677       145.0458 2278.677       145.0458 0.000000       0.000000 307.2193 9.888132 ?        ?        0.000000       9.888132 
1 1 1 5   -13 5  o 137.8578 9.928975 460.7498       65.00178 374.7777       93.53197 541.0621       90.40076 122.7066 16.35003 148.7897 12.83371 -26.08306      20.78527 
1 1 1 5   -13 6  o 166.2589 8.784845 667.3403       69.57986 599.5762       99.51579 732.1501       97.32243 156.5161 13.42884 173.4991 11.80324 -16.98302      17.87876 
1 1 1 5   -13 7  o 56.10726 17.86184 76.47444       53.93241 158.3617       131.5676 59.93528       59.12859 81.01849 27.96954 52.59264 18.70537 28.42585       33.64797 
1 1 1 5   -13 8  o 209.7921 9.632799 1063.595       96.35838 889.4857       169.7731 1146.337       117.0358 188.7897 19.07091 217.3815 11.30007 -28.59184      22.16735 
1 1 1 5   -13 9  o 309.7210 8.391329 2310.238       124.1393 2115.184       190.7087 2453.655       163.5280 294.5726 13.57812 318.4422 10.75665 -23.86960      17.32255 
1 1 1 5   -13 10 o 166.0489 9.920973 667.6158       78.39960 759.4544       127.4676 611.7343       99.43082 175.6521 15.33234 158.1132 13.27609 17.53891       20.28140 
1 1 1 5   -13 11 o 105.1188 12.62532 271.8853       62.18159 282.9415       104.2569 265.7809       77.46867 104.7280 21.54196 102.9698 16.27683 1.758141       26.99984 
1 1 1 5   -13 12 o 192.2945 11.63727 899.0367       106.4850 877.8246       177.1666 911.0337       133.2370 186.9244 20.14232 192.6681 14.57266 -5.743744      24.86113 
1 1 1 5   -13 13 o 315.6704 9.531307 2407.152       143.6802 2564.552       290.1620 2356.021       165.3788 320.9459 18.99533 311.7117 11.11512 9.234192       22.00838 
1 1 1 5   -13 14 o 302.4878 12.07259 2227.660       174.2381 2664.847       264.7575 1893.655       231.4146 328.0602 16.93789 276.0081 17.62937 52.05212       24.44763 
1 1 1 5   -13 15 o 274.9211 9.857752 1830.645       129.3572 2093.109       259.0910 1743.495       149.2966 289.1081 18.84767 267.5748 11.69896 21.53329       22.18334 
1 1 1 5   -13 16 o 167.1640 11.89645 683.4727       94.45417 542.0760       181.6063 735.9050       110.5888 141.7876 27.78472 172.9426 13.48165 -31.15497      30.88277 
1 1 1 5   -13 17 o 274.0899 12.88299 1840.260       168.3453 1897.965       260.9223 1799.109       220.3417 273.7304 20.07759 268.4486 17.25975 5.281769       26.47657 
1 1 1 5   -13 18 o 81.21337 16.07068 168.6655       60.18796 296.1103       142.2428 140.8709       66.42775 103.7269 28.02528 73.54579 18.81730 30.18114       33.75659 
1 1 1 5   -13 19 o 252.9239 12.43269 1570.422       149.8754 1845.826       236.2081 1384.823       193.9086 270.1422 18.39899 234.5184 17.41902 35.62372       25.33664 
1 1 1 5   -13 20 o 177.8856 13.60028 786.1495       114.7866 583.9136       207.1508 875.7615       137.8924 142.0632 31.34191 186.7211 15.58892 -44.65791      35.00471 
1 1 1 5   -13 21 o 129.5430 14.95966 424.2925       90.94959 390.0968       186.1761 435.0111       104.2335 113.6299 32.58393 130.0992 17.17738 -16.46931      36.83443 
1 1 1 5   -13 22 o 52.99477 23.08480 5.431869       109.6876 -301.7542      302.7459 51.84859       117.6833 64.91533 31.46395 60.19055 24.95595 4.724781       40.15943 
1 1 1 5   -13 23 f 67.40467 25.84203 107.1940       116.6392 24.64332       293.3334 122.6976       127.1210 77.83113 35.51767 70.72931 27.01256 7.101822       44.62268 
1 1 1 5   -13 24 o 97.35921 20.14472 259.4315       90.67226 307.1174       278.8549 253.7936       95.88260 95.17922 38.82510 95.45156 21.52607 -0.2723389     44.39324 
1 1 1 5   -12 0  o 112.9968 12.66578 312.7050       67.24747 312.7050       67.24747 0.000000       0.000000 112.9968 12.66578 ?        ?        0.000000       12.66578 
1 1 1 5   -12 1  o 122.7771 11.77227 367.4045       68.25566 367.4045       68.25566 0.000000       0.000000 122.7771 11.77227 ?        ?        0.000000       11.77227 
1 1 1 5   -12 2  o 295.3697 18.75394 2149.807       263.4621 2149.807       263.4621 0.000000       0.000000 295.3697 18.75394 ?        ?        0.000000       18.75394 
1 1 1 5   -12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -12 4  o 344.4488 9.373716 2857.640       154.2201 2825.804       320.4488 2867.237       175.9346 338.1008 19.91275 344.6380 10.69068 -6.537231      22.60107 
1 1 1 5   -12 5  o 249.8760 7.550062 1500.578       90.09175 1415.941       121.9165 1602.393       133.7176 242.0970 10.55869 257.4881 10.88690 -15.39105      15.16610 
1 1 1 5   -12 6  o 139.8967 10.21991 474.1534       67.88228 574.2141       119.5405 426.5305       82.46899 152.4719 16.67031 132.0298 13.24367 20.44218       21.29070 
1 1 1 5   -12 7  o 133.6797 10.53279 433.5660       66.77239 503.7898       107.0685 388.8705       85.41835 142.8959 15.94365 125.7079 14.47687 17.18796       21.53554 
1 1 1 5   -12 8  o 354.5499 9.554746 3029.656       161.8113 3303.940       342.2597 2950.701       183.6293 365.5231 19.65772 349.4300 11.00564 16.09317       22.52888 
1 1 1 5   -12 9  o 141.2682 10.23280 483.7321       68.64259 489.0269       107.3341 480.0681       89.28859 140.5914 16.26860 140.0174 13.50587 0.5740051      21.14417 
1 1 1 5   -12 10 o 144.8755 11.20755 510.1484       77.02399 500.4743       136.2063 514.6964       93.39052 140.6977 20.88147 144.9561 13.63607 -4.258423      24.93949 
1 1 1 5   -12 11 o 283.2268 8.790175 1932.692       118.8815 1699.667       196.0994 2068.096       149.4822 263.3338 15.64673 292.4402 10.70972 -29.10635      18.96097 
1 1 1 5   -12 12 o 277.2823 9.381763 1854.881       124.1907 1907.194       237.1148 1835.105       145.7864 277.8378 17.94686 275.2958 11.09942 2.541992       21.10182 
1 1 1 5   -12 13 o 185.1022 12.07813 833.5815       106.3019 828.7144       196.3026 835.6010       126.4464 180.4100 23.30297 184.6421 14.43885 -4.232025      27.41366 
1 1 1 5   -12 14 o 138.6075 12.20870 469.1089       80.07700 540.5107       150.2703 440.7919       94.63278 145.5801 22.29967 133.5841 15.08095 11.99593       26.92044 
1 1 1 5   -12 15 o 309.0510 12.24678 2319.765       180.5925 2702.757       270.9511 2013.624       242.2457 331.1525 17.17278 285.3655 17.84537 45.78705       24.76614 
1 1 1 5   -12 16 o 160.6894 12.10596 629.9063       92.31866 541.0475       157.0089 676.8601       114.1325 144.8658 23.47244 165.8853 14.53787 -21.01953      27.60987 
1 1 1 5   -12 17 o 41.45809 19.09692 -60.23722      87.52114 167.2143       212.6373 -106.6300      96.03298 88.97727 34.68045 39.81331 18.86732 49.16396       39.48050 
1 1 1 5   -12 18 o 129.6792 17.58167 423.8250       106.1980 404.9633       230.5705 428.9037       119.6443 119.0004 36.79874 129.5434 19.95830 -10.54292      41.86265 
1 1 1 5   -12 19 o 166.5101 13.61522 683.0062       107.4406 1033.453       186.7233 509.5495       131.3660 202.1192 19.56783 141.1690 20.02546 60.95016       27.99856 
1 1 1 5   -12 20 o 105.2304 20.29959 287.6781       98.42558 338.3295       168.0634 261.2368       121.4280 110.0640 30.75561 98.38931 25.58010 11.67470       40.00311 
1 1 1 5   -12 21 o 296.7825 11.11566 2147.285       157.4396 2499.078       304.3110 2018.707       183.9751 313.1414 20.43848 286.4424 13.47200 26.69894       24.47910 
1 1 1 5   -12 22 o 53.99200 20.08097 61.50222       69.21664 -43.03482      174.7752 80.94787       75.37996 61.53354 27.81705 59.07176 21.10810 2.461777       34.91906 
1 1 1 5   -12 23 o 122.3695 15.39869 379.8517       88.09742 420.7223       169.3619 364.6906       103.1512 120.4566 29.61914 118.2166 18.88631 2.240067       35.12814 
1 1 1 5   -12 24 o 65.03268 24.45608 97.65378       103.2432 258.7368       161.4878 -13.70178      134.2675 93.75061 30.99103 55.89294 24.89059 37.85767       39.74903 
1 1 1 5   -12 25 o 88.84090 20.23226 214.3017       84.00452 20.87344       172.1846 274.7235       96.23461 64.60818 28.50848 100.6319 20.69407 -36.02373      35.22752 
1 1 1 5   -12 26 o 91.40541 30.56454 260.5022       156.9722 445.8153       249.7990 139.5739       201.7909 110.6873 38.52209 77.29569 32.41079 33.39157       50.34293 
1 1 1 5   -11 0  o 260.6537 10.67432 1639.368       132.7372 1639.368       132.7372 0.000000       0.000000 260.6537 10.67432 ?        ?        0.000000       10.67432 
1 1 1 5   -11 1  f 414.5180 15.87737 4183.565       314.0701 4183.565       314.0701 0.000000       0.000000 414.5180 15.87737 ?        ?        0.000000       15.87737 
1 1 1 5   -11 2  o 206.3519 9.491840 1026.238       93.39046 1026.238       93.39046 0.000000       0.000000 206.3519 9.491840 ?        ?        0.000000       9.491840 
1 1 1 5   -11 3  o 334.7826 9.662956 2698.500       154.4993 2698.500       154.4993 0.000000       0.000000 334.7826 9.662956 ?        ?        0.000000       9.662956 
1 1 1 5   -11 4  o 220.1848 7.254190 1164.351       76.25907 1098.066       103.1100 1244.390       113.3023 213.3393 10.13832 227.0724 10.46491 -13.73315      14.57051 
1 1 1 5   -11 5  o 304.0266 7.861480 2220.426       114.1720 2048.630       171.4992 2357.169       153.0060 290.9639 12.35676 312.7236 10.24770 -21.75977      16.05319 
1 1 1 5   -11 6  o 80.22997 11.33447 158.2242       42.26607 164.1310       70.72994 154.9434       52.71286 80.32955 18.75870 78.73271 14.53951 1.596840       23.73365 
1 1 1 5   -11 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -11 8  o 212.0461 10.92792 1086.756       110.4100 994.2640       157.3658 1176.428       154.9490 201.3712 16.49005 219.6497 14.84252 -18.27852      22.18607 
1 1 1 5   -11 9  o 192.2220 9.440068 891.0903       86.48805 753.8231       144.9228 967.0222       107.7868 174.8008 17.57990 199.8863 11.32543 -25.08543      20.91215 
1 1 1 5   -11 10 o 88.32541 15.91497 195.5251       64.73320 44.85712       129.6203 245.5889       74.71791 64.40083 26.39363 99.14690 16.33104 -34.74606      31.03750 
1 1 1 5   -11 11 o 249.0917 9.387048 1495.317       111.5883 1515.844       202.8716 1486.413       133.6171 248.4589 17.18471 247.8965 11.30388 0.5624390      20.56920 
1 1 1 5   -11 12 o 72.63315 14.51498 132.5795       48.63943 -4.726680      93.90823 182.9189       56.86074 49.93578 21.55714 85.66782 14.39297 -35.73204      25.92042 
1 1 1 5   -11 13 o 131.9317 12.71654 425.4009       79.21700 544.8005       203.1386 403.9870       86.02786 143.1830 30.60326 128.1679 14.28185 15.01517       33.77174 
1 1 1 5   -11 14 o 198.9652 10.75723 958.5342       101.9454 1072.595       182.3519 906.6772       122.9550 207.9917 18.53205 192.8042 13.42276 15.18759       22.88247 
1 1 1 5   -11 15 o 44.76118 19.74632 -19.76355      82.56152 166.0950       200.8955 -57.53306      90.56274 88.94713 33.96099 42.82434 19.61523 46.12279       39.21870 
1 1 1 5   -11 16 o 56.20938 18.21758 75.92559       55.92582 -55.59462      118.8419 113.3362       63.38267 50.55481 22.88777 66.84296 18.96144 -16.28815      29.72181 
1 1 1 5   -11 17 o 323.2941 10.28245 2525.473       158.7268 2454.402       309.9696 2550.733       184.7932 313.5895 20.79260 324.3071 11.93887 -10.71756      23.97642 
1 1 1 5   -11 18 o 232.4348 11.72367 1311.853       129.8580 1266.781       255.4397 1327.561       150.7980 222.7778 24.38095 233.2092 13.58393 -10.43141      27.90974 
1 1 1 5   -11 19 o 222.6916 11.66693 1205.712       123.7803 1293.579       217.2335 1163.469       150.6243 226.9687 20.23131 217.7309 14.55350 9.237808       24.92209 
1 1 1 5   -11 20 o 114.7607 18.94716 335.7144       100.3305 354.7781       168.1579 325.1767       125.0215 113.6717 30.36640 110.9352 24.25074 2.736572       38.86150 
1 1 1 5   -11 21 o 197.5896 13.00885 957.2212       122.2050 994.4605       211.3031 938.5056       149.7984 196.4334 22.93083 194.2794 16.27718 2.154037       28.12062 
1 1 1 5   -11 22 f 107.4783 17.93931 294.8664       88.93274 280.0654       158.1773 301.7077       107.5395 100.7819 30.34636 107.3076 21.70832 -6.525673      37.31157 
1 1 1 5   -11 23 o 59.42432 24.25112 47.74667       108.8570 188.1960       151.8235 -100.8447      156.1622 85.43092 30.01088 54.30057 25.18684 31.13036       39.17945 
1 1 1 5   -11 24 o 82.46258 22.21392 182.6025       89.52785 260.3913       165.0706 150.1846       106.5623 95.88375 31.31413 75.77080 25.17940 20.11295       40.18180 
1 1 1 5   -11 25 o 177.5792 16.57783 801.1328       139.1171 628.9376       204.1815 950.3322       190.0594 147.8000 29.92344 190.0546 21.28221 -42.25456      36.71981 
1 1 1 5   -11 26 o 98.75008 21.84021 265.5696       100.3717 265.1415       191.8650 265.7310       117.7728 94.32439 33.67915 97.08134 25.16816 -2.756950      42.04428 
1 1 1 5   -11 27 o 59.32385 26.53382 -6.759286      154.3336 168.8724       349.2856 -49.36760      172.0388 89.48251 39.97749 58.75393 26.95763 30.72858       48.21735 
1 1 1 5   -11 28 o 83.68313 25.64621 206.2257       112.2974 434.7885       363.2321 182.0708       118.0823 103.2609 43.40286 78.93881 26.51086 24.32207       50.85896 
1 1 1 5   -10 0  o 298.3843 8.915357 2139.324       127.0386 2139.324       127.0386 0.000000       0.000000 298.3843 8.915357 ?        ?        0.000000       8.915357 
1 1 1 5   -10 1  o 613.7294 7.992233 9035.051       234.5057 9035.051       234.5057 0.000000       0.000000 613.7294 7.992233 ?        ?        0.000000       7.992233 
1 1 1 5   -10 2  o 629.6344 10.36793 9532.124       312.0963 9532.124       312.0963 0.000000       0.000000 629.6344 10.36793 ?        ?        0.000000       10.36793 
1 1 1 5   -10 3  o 244.5756 6.922847 1434.818       80.86657 1206.235       107.8397 1728.490       122.2330 223.7805 10.10579 268.0601 9.553071 -44.27965      13.90641 
1 1 1 5   -10 4  o 110.2350 9.428273 294.0298       49.21236 332.5319       70.04572 256.4993       69.15637 116.7366 12.75813 101.9842 14.59974 14.75245       19.38871 
1 1 1 5   -10 5  o 239.3939 8.854357 1377.986       101.1648 1412.280       180.8223 1362.361       122.0544 240.8470 15.79081 237.6989 10.76831 3.148056       19.11298 
1 1 1 5   -10 6  o 229.0140 8.199463 1260.311       89.63019 1347.615       142.7348 1203.472       115.1682 235.9782 12.69850 223.3479 10.81772 12.63033       16.68158 
1 1 1 5   -10 7  o 233.9101 10.74902 1319.874       119.8847 1442.759       174.7915 1210.715       164.7397 243.5344 15.08653 222.8876 15.55748 20.64680       21.67114 
1 1 1 5   -10 8  o 180.4140 9.260795 784.3126       79.61065 684.5128       131.3991 842.1937       100.0682 166.9709 16.68365 186.6216 11.26818 -19.65074      20.13246 
1 1 1 5   -10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -10 10 o 411.5699 10.44897 4081.216       205.4348 4229.365       240.0272 3675.470       397.2273 418.4527 12.01034 385.5961 21.63432 32.85660       24.74454 
1 1 1 5   -10 11 o 302.5449 11.07832 2209.234       159.9699 2186.596       204.2011 2245.198       257.3825 300.0414 14.27631 302.7026 17.86446 -2.661224      22.86814 
1 1 1 5   -10 12 o 179.5544 11.16316 780.2674       95.35382 851.9452       157.9101 739.1320       119.6261 185.8951 17.99247 173.9947 14.51280 11.90045       23.11601 
1 1 1 5   -10 13 o 357.9943 9.215020 3084.406       157.5867 3351.826       271.1456 2948.003       193.6504 371.0207 15.31903 349.2891 11.61259 21.73160       19.22303 
1 1 1 5   -10 14 o 41.85002 18.54247 -22.10346      73.56826 -124.1913      123.5354 33.99819       91.57825 46.24060 21.75645 54.91006 22.30504 -8.669456      31.15859 
1 1 1 5   -10 15 o 224.9981 11.08336 1224.585       118.8557 1297.089       215.2805 1192.795       142.5504 228.6624 19.89023 221.4112 13.53130 7.251205       24.05655 
1 1 1 5   -10 16 o 202.1875 11.84178 991.8025       113.9657 1011.696       178.8466 978.2017       147.8774 202.0235 18.73026 199.7142 15.61158 2.309219       24.38328 
1 1 1 5   -10 17 o 157.1888 14.48018 606.2273       107.5967 36.44551       229.5850 766.5977       121.8011 79.56577 34.01622 176.8931 14.53028 -97.32729      36.98962 
1 1 1 5   -10 18 o 222.7558 13.28514 1209.192       140.8400 1266.401       255.9615 1184.351       168.6691 223.1157 24.39285 219.4383 16.19140 3.677429       29.27750 
1 1 1 5   -10 19 o 277.9358 13.36023 1881.081       177.0081 1855.904       267.2104 1900.769       236.2867 272.6339 20.65419 277.3813 17.91357 -4.747406      27.34029 
1 1 1 5   -10 20 o 326.0156 14.35250 2595.337       223.1561 2538.093       330.3793 2643.368       302.6248 318.0273 21.86202 326.1545 19.49663 -8.127197      29.29277 
1 1 1 5   -10 21 o 210.5531 12.98821 1082.169       130.1068 1074.108       201.9807 1087.886       170.0976 206.5168 20.73756 209.5266 17.12990 -3.009735      26.89758 
1 1 1 5   -10 22 o 100.2343 23.42082 264.9101       110.2026 345.4870       151.8930 175.3533       160.1333 112.9373 28.21490 85.18625 30.72540 27.75104       41.71487 
1 1 1 5   -10 23 o 114.6859 17.61025 333.3891       93.47555 571.1062       163.8105 218.6085       113.8272 147.7469 24.01467 90.52148 25.31704 57.22543       34.89494 
1 1 1 5   -10 24 o 41.39504 18.42278 -21.77927      73.43708 221.9829       154.8060 -92.56426      83.42095 91.24554 30.34929 37.07723 17.57484 54.16831       35.07070 
1 1 1 5   -10 25 o 188.5559 15.45631 885.7551       138.1113 638.7762       225.6307 1033.741       174.6539 149.9362 32.42175 202.2213 18.26181 -52.28505      37.21107 
1 1 1 5   -10 26 o 241.7059 14.09663 1451.161       162.1892 1380.599       264.2677 1493.801       205.4288 227.1660 24.73164 242.5391 17.84108 -15.37306      30.49521 
1 1 1 5   -10 27 o 99.36646 21.14850 265.8120       97.38126 343.5427       204.0565 242.8884       110.8141 105.4694 34.83591 93.38110 24.51471 12.08829       42.59708 
1 1 1 5   -10 28 o 257.5438 15.17199 1673.982       185.9832 2085.660       421.7074 1574.575       207.2247 261.1862 34.62371 247.4914 17.62893 13.69482       38.85331 
1 1 1 5   -10 29 o 74.80479 24.98952 157.0429       104.9345 -369.5166      513.8837 179.9543       107.1931 78.09429 38.49993 79.25923 25.17580 -1.164940      46.00072 
1 1 1 5   -10 30 o 114.3280 22.33285 368.6225       117.6891 344.5670       329.1759 372.1481       126.0185 95.75375 40.82823 113.5946 23.95946 -17.84084      47.33920 
1 1 1 5   -9  0  o 275.8994 8.918928 1827.535       117.4899 1827.535       117.4899 0.000000       0.000000 275.8994 8.918928 ?        ?        0.000000       8.918928 
1 1 1 5   -9  1  o 367.5078 14.15422 3260.211       248.2266 3260.211       248.2266 0.000000       0.000000 367.5078 14.15422 ?        ?        0.000000       14.15422 
1 1 1 5   -9  2  o 399.7422 7.509823 3828.814       143.5219 3828.814       143.5219 0.000000       0.000000 399.7422 7.509823 ?        ?        0.000000       7.509823 
1 1 1 5   -9  3  o 296.9153 6.178060 2110.804       87.69868 2189.176       111.5700 1984.088       141.8674 302.1407 7.730129 287.2618 10.34681 14.87888       12.91555 
1 1 1 5   -9  4  o 432.7294 16.08209 4532.483       332.1323 4400.991       470.5239 4663.065       468.8922 423.5075 23.32884 436.3332 22.55396 -12.82568      32.44867 
1 1 1 5   -9  5  o 175.9800 8.637731 744.5293       72.45069 632.8603       120.0436 808.5114       90.86603 161.0709 15.79155 183.1744 10.41893 -22.10352      18.91896 
1 1 1 5   -9  6  f 403.2770 7.676727 3898.199       148.0089 3737.105       218.6021 4034.558       201.1213 394.0001 11.61781 409.7035 10.27597 -15.70340      15.51029 
1 1 1 5   -9  7  o 104.5272 10.88722 265.4522       53.61058 132.0174       84.06481 356.9196       69.60056 73.14370 22.14434 121.1660 12.18006 -48.02225      25.27302 
1 1 1 5   -9  8  o 195.8486 9.176689 922.7677       85.68514 968.9934       148.5891 899.7378       104.8796 199.5090 15.70469 193.0459 11.41472 6.463181       19.41477 
1 1 1 5   -9  9  o 230.2848 10.55830 1277.803       115.9339 1317.408       163.5191 1237.772       164.3950 232.9653 14.75729 225.6490 15.32967 7.316269       21.27855 
1 1 1 5   -9  10 o 297.9007 10.34492 2136.651       147.1117 2264.428       189.1348 1940.946       234.0700 306.0760 12.95439 282.0406 17.44442 24.03543       21.72841 
1 1 1 5   -9  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -9  12 o 112.7375 14.60053 312.7745       76.84820 110.6799       201.9763 346.9832       83.09812 84.06818 33.47905 118.7536 14.96830 -34.68539      36.67284 
1 1 1 5   -9  13 o 311.2968 13.37930 2347.671       198.6559 2370.027       294.2022 2328.936       269.3267 310.2884 19.93776 308.2537 18.35839 2.034760       27.10249 
1 1 1 5   -9  14 o 377.9221 9.035642 3432.884       163.2562 3755.954       266.9960 3239.969       206.3194 393.4791 14.21638 366.2618 11.79796 27.21725       18.47424 
1 1 1 5   -9  15 o 328.2148 13.47511 2611.661       210.9960 2778.126       307.9834 2464.427       289.6469 336.1192 19.24620 316.5207 19.23148 19.59851       27.20783 
1 1 1 5   -9  16 o 87.89432 20.31546 197.4510       83.65776 11.35707       212.2017 231.6969       91.03043 75.43380 32.48358 95.26899 20.58776 -19.83519      38.45828 
1 1 1 5   -9  17 o 141.6616 16.40055 495.5767       109.0262 542.5436       157.7776 452.6552       150.8297 146.0614 23.38290 132.7073 24.68113 13.35408       33.99880 
1 1 1 5   -9  18 o 209.9420 13.01671 1071.943       130.0073 1238.382       202.0581 954.3654       169.8293 223.6009 19.08364 196.3907 18.29826 27.21027       26.43883 
1 1 1 5   -9  19 o 148.9886 14.27893 544.5820       100.4651 499.1451       169.6765 569.1105       124.6673 138.3699 26.61534 151.3752 17.55109 -13.00523      31.88130 
1 1 1 5   -9  20 o 105.8057 15.79953 279.1823       77.47618 408.5537       140.8300 223.0341       92.77778 125.5635 24.33860 92.96333 21.32862 32.60017       32.36167 
1 1 1 5   -9  21 o 145.2783 13.86006 517.8428       95.10092 476.2094       159.8150 540.6680       118.3326 135.2073 25.66186 147.5141 17.09497 -12.30678      30.83454 
1 1 1 5   -9  22 f 367.0809 11.24053 3263.012       197.0357 3578.757       386.8000 3152.370       228.9701 378.1228 21.48503 359.8585 13.33184 18.26434       25.28526 
1 1 1 5   -9  23 o 55.94379 20.97093 61.34869       75.78454 -143.4224      149.6331 131.9967       87.89078 50.67514 23.87433 72.38956 22.77162 -21.71442      32.99289 
1 1 1 5   -9  24 o 79.75177 26.21857 161.8679       115.6364 143.3785       173.6358 176.6039       155.0132 82.00713 31.50717 84.88693 30.27653 -2.879807      43.69634 
1 1 1 5   -9  25 o 199.9816 13.91873 984.6911       132.2449 1153.673       226.6383 897.4537       162.8413 211.6318 22.75696 188.9020 18.25830 22.72978       29.17610 
1 1 1 5   -9  26 o 290.8935 13.94624 2082.478       193.3894 1835.595       306.9283 2245.020       249.0429 265.3080 24.47361 299.6530 17.45952 -34.34509      30.06314 
1 1 1 5   -9  27 o 199.1714 16.36178 995.3765       154.4270 1046.566       243.6231 960.9935       199.6642 197.0827 26.52915 192.0001 22.15755 5.082550       34.56520 
1 1 1 5   -9  28 f 78.72432 27.73605 163.4155       129.7474 173.8604       232.7866 158.7084       156.2719 86.87903 35.46049 79.67903 30.06118 7.199997       46.48786 
1 1 1 5   -9  29 o 86.82595 30.62455 214.1166       158.2122 279.6883       310.7540 191.1728       183.8194 98.20359 40.61993 84.60935 32.44059 13.59424       51.98433 
1 1 1 5   -9  30 o 85.80353 31.11830 215.4960       164.5406 -3.329871      323.2671 292.0110       191.1550 78.44008 36.33320 96.26530 33.68528 -17.82522      49.54593 
1 1 1 5   -9  31 o 104.2054 22.65170 307.6006       109.6223 468.0283       204.4990 242.9132       129.8558 117.5461 34.28363 89.31779 27.61541 28.22833       44.02248 
1 1 1 5   -8  0  o 386.0998 9.215996 3572.971       170.1180 3572.971       170.1180 0.000000       0.000000 386.0998 9.215996 ?        ?        0.000000       9.215996 
1 1 1 5   -8  1  o 184.5748 8.319579 817.7781       73.22581 817.7781       73.22581 0.000000       0.000000 184.5748 8.319579 ?        ?        0.000000       8.319579 
1 1 1 5   -8  2  o 266.5441 7.722911 1702.912       98.31059 1702.912       98.31059 0.000000       0.000000 266.5441 7.722911 ?        ?        0.000000       7.722911 
1 1 1 5   -8  3  f 332.4819 8.271297 2648.265       131.4771 2638.173       146.6474 2689.613       296.8297 331.6284 9.258473 333.0689 18.71611 -1.440491      20.88090 
1 1 1 5   -8  4  o 404.7669 9.693075 3928.439       187.5750 3877.983       209.3380 4133.954       422.4892 401.8495 10.90631 412.2152 21.51239 -10.36572      24.11909 
1 1 1 5   -8  5  o 133.4068 8.842339 428.4167       56.07842 371.3616       88.23029 467.0878       72.63804 123.2322 15.30440 139.0700 11.01492 -15.83775      18.85611 
1 1 1 5   -8  6  o 249.1932 8.690089 1490.151       103.3722 1461.412       190.6665 1502.115       123.0220 245.5752 16.33264 249.9963 10.31513 -4.421021      19.31728 
1 1 1 5   -8  7  o 191.5193 8.903364 881.2706       81.29896 825.7667       136.3807 911.8668       101.2570 184.3857 15.61774 194.5769 10.92885 -10.19119      19.06183 
1 1 1 5   -8  8  o 591.4594 10.13073 8396.106       286.4666 7752.659       807.8488 8488.653       306.3760 558.7185 30.35729 594.5525 10.77845 -35.83398      32.21397 
1 1 1 5   -8  9  o 584.0243 11.21414 8196.104       313.1159 8098.818       337.4120 8799.574       840.3577 580.2816 12.16223 595.2962 29.62026 -15.01459      32.01999 
1 1 1 5   -8  10 o 432.7688 8.181975 4490.316       169.2866 4153.286       257.0298 4748.523       224.9744 415.0859 12.96792 444.5951 10.58425 -29.50919      16.73897 
1 1 1 5   -8  11 o 167.4942 11.18552 677.5320       89.05705 510.7876       167.8543 742.8593       105.0639 141.9918 25.67105 175.1815 12.62938 -33.18976      28.60951 
1 1 1 5   -8  12 f 414.3167 9.986777 4124.233       197.8181 3838.821       443.0343 4195.305       221.0802 394.5388 23.59543 417.4823 11.08634 -22.94348      26.07012 
1 1 1 5   -8  13 o 333.1743 10.27546 2671.404       163.4789 2562.712       313.3132 2712.065       191.6330 323.1562 20.38338 335.3026 11.97355 -12.14642      23.63996 
1 1 1 5   -8  14 o 342.5687 14.19179 2843.401       231.9272 2764.459       334.3906 2916.579       321.9521 335.1247 20.97600 344.8758 19.60708 -9.751160      28.71289 
1 1 1 5   -8  15 o 203.9923 13.45663 1010.298       130.5047 998.7349       228.9782 1015.862       158.8259 199.3266 24.54599 203.7896 16.44108 -4.462952      29.54344 
1 1 1 5   -8  16 o 675.1101 11.16285 10984.38       360.2949 9859.513       1037.654 11138.59       384.1984 616.6002 35.34795 679.4940 11.82664 -62.89386      37.27394 
1 1 1 5   -8  17 o 336.9680 10.86988 2738.936       174.8853 2720.869       335.5207 2745.676       204.9247 331.6774 21.27113 336.8151 12.74908 -5.137756      24.79919 
1 1 1 5   -8  18 o 150.8473 17.56102 562.9158       124.2819 645.0339       234.0298 530.6608       146.6730 156.0500 32.42889 145.0942 21.81912 10.95580       39.08590 
1 1 1 5   -8  19 o 178.7089 15.61776 783.0642       132.0966 878.1401       232.0273 737.4704       160.6781 185.0121 27.02971 172.0484 19.90077 12.96373       33.56554 
1 1 1 5   -8  20 o 225.3706 12.84623 1234.187       137.8412 1158.103       208.7210 1293.037       183.5664 215.6010 20.49537 229.3775 16.85691 -13.77654      26.53706 
1 1 1 5   -8  21 o 161.0163 15.22155 637.4617       115.7847 571.1432       168.6193 696.6292       159.2690 149.0886 24.50753 166.6200 20.42020 -17.53143      31.89990 
1 1 1 5   -8  22 o 56.62340 24.68733 -11.51599      125.6821 -27.65539      154.0104 20.66009       217.4568 61.00217 26.93771 76.28201 32.86641 -15.27985      42.49519 
1 1 1 5   -8  23 o 288.4908 14.98341 2036.055       205.9492 1929.619       311.1211 2119.071       274.7673 276.0848 23.80324 291.8694 19.80838 -15.78467      30.96718 
1 1 1 5   -8  24 o 227.3667 18.24073 1283.604       196.6171 991.0671       304.8181 1492.041       257.2996 190.5511 34.73918 243.0167 22.39778 -52.46565      41.33365 
1 1 1 5   -8  25 o 338.3450 15.51280 2816.512       250.2657 2558.808       356.2645 3067.568       351.6390 316.5232 23.71525 348.9215 21.17928 -32.39835      31.79583 
1 1 1 5   -8  26 o 258.9991 15.07467 1654.421       185.8545 1607.189       280.4673 1691.400       248.1633 249.6732 23.78340 258.7599 20.22052 -9.086639      31.21730 
1 1 1 5   -8  27 o 143.4798 26.63270 552.4788       175.9655 426.6184       238.0923 703.9761       261.2181 120.5757 37.41231 156.0965 35.77063 -35.52081      51.76117 
1 1 1 5   -8  28 o 73.15563 27.49233 120.1220       130.4226 -66.10535      232.2323 205.9179       157.6283 69.57635 31.69365 88.25452 30.60726 -18.67816      44.06010 
1 1 1 5   -8  29 o 133.1611 23.76589 477.8918       145.7491 509.2657       253.3335 462.3690       178.1938 126.6740 38.46068 126.9482 29.86303 -0.2741776     48.69316 
1 1 1 5   -8  30 o 135.4674 20.51933 485.9928       128.7379 547.6752       319.5088 474.0380       140.6613 123.5445 43.52499 132.1079 23.11220 -8.563438      49.28081 
1 1 1 5   -8  31 o 71.62531 24.75998 137.0694       103.1183 16.81220       193.3135 184.8965       121.9113 67.15809 29.88928 80.88754 26.93326 -13.72945      40.23394 
1 1 1 5   -8  32 o 71.25919 29.83496 106.3712       170.6013 242.4656       252.9404 -7.209230      231.0733 88.62875 36.65214 68.16353 31.26286 20.46522       48.17411 
1 1 1 5   -7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  2  o 178.3589 13.66401 768.6029       115.6277 768.6029       115.6277 0.000000       0.000000 178.3589 13.66401 ?        ?        0.000000       13.66401 
1 1 1 5   -7  3  o 286.2293 10.39340 1966.610       141.9902 1966.610       141.9902 0.000000       0.000000 286.2293 10.39340 ?        ?        0.000000       10.39340 
1 1 1 5   -7  4  o 233.7609 15.38595 1320.114       170.9949 1320.114       170.9949 0.000000       0.000000 233.7609 15.38595 ?        ?        0.000000       15.38595 
1 1 1 5   -7  5  o 267.9302 11.25993 1724.963       143.9118 1724.963       143.9118 0.000000       0.000000 267.9302 11.25993 ?        ?        0.000000       11.25993 
1 1 1 5   -7  6  o 198.6884 13.17417 952.3474       124.4356 952.3474       124.4356 0.000000       0.000000 198.6884 13.17417 ?        ?        0.000000       13.17417 
1 1 1 5   -7  7  o 391.7777 11.52136 3686.246       215.5657 3686.246       215.5657 0.000000       0.000000 391.7777 11.52136 ?        ?        0.000000       11.52136 
1 1 1 5   -7  8  o 301.6741 18.04226 2204.312       259.0291 2204.312       259.0291 0.000000       0.000000 301.6741 18.04226 ?        ?        0.000000       18.04226 
1 1 1 5   -7  9  o 594.2362 11.82542 8478.721       335.9572 8478.721       335.9572 0.000000       0.000000 594.2362 11.82542 ?        ?        0.000000       11.82542 
1 1 1 5   -7  10 o 275.8595 14.52881 1837.273       190.9380 1837.273       190.9380 0.000000       0.000000 275.8595 14.52881 ?        ?        0.000000       14.52881 
1 1 1 5   -7  11 o 153.0860 23.60332 584.3139       167.2040 584.3139       167.2040 0.000000       0.000000 153.0860 23.60332 ?        ?        0.000000       23.60332 
1 1 1 5   -7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -7  22 o 195.7931 16.82806 944.3005       155.9949 804.8427       207.5520 1125.357       236.4902 177.4043 25.17747 210.8871 23.87554 -33.48283      34.69793 
1 1 1 5   -7  23 o 245.2390 14.00968 1467.262       163.5744 1604.635       248.6796 1362.498       217.1677 253.5560 20.69418 234.0460 19.58771 19.51007       28.49434 
1 1 1 5   -7  24 o 290.1583 13.80621 2052.556       190.9722 2116.857       301.3055 2009.381       246.8987 290.4938 21.85538 285.0421 18.21291 5.451630       28.44939 
1 1 1 5   -7  25 f 58.21391 23.73339 39.72192       104.1322 -78.27106      202.6467 82.05705       121.3841 65.91026 29.85877 67.61031 26.24471 -1.700050      39.75338 
1 1 1 5   -7  26 o 257.0437 15.15421 1623.194       185.4032 1523.458       299.3792 1685.242       236.1342 242.6219 26.22606 259.8722 19.14030 -17.25027      32.46779 
1 1 1 5   -7  27 o 117.7828 24.79166 367.7302       135.1791 97.84142       384.8672 405.7110       144.3779 98.38046 43.04052 123.6421 25.27842 -25.26167      49.91478 
1 1 1 5   -7  28 o 82.04296 30.74236 156.1137       162.8287 229.9481       237.0374 90.14310       224.0592 96.50903 36.87944 81.28857 34.12301 15.22045       50.24414 
1 1 1 5   -7  29 o 59.45089 26.82137 -47.56784      161.5323 36.99294       234.0445 -124.4890      223.2220 77.42564 33.72395 64.71569 30.05051 12.70995       45.17010 
1 1 1 5   -7  30 o 58.05551 26.82777 -88.86418      174.7182 158.8773       270.7776 -265.5864      228.6962 89.28687 37.49834 57.47871 27.73432 31.80816       46.64030 
1 1 1 5   -7  31 o 61.33796 26.38615 29.60580       139.7364 382.5758       404.4133 -18.24869      148.9080 108.1260 45.64184 58.23795 26.05459 49.88800       52.55492 
1 1 1 5   -7  32 o 57.59967 25.03341 17.30164       128.3692 -10.11851      244.9164 27.68765       150.7326 71.50801 32.56353 62.31578 27.10431 9.192234       42.36776 
1 1 1 5   -7  33 o 58.24245 25.38621 25.64624       132.8204 97.95171       254.1635 -1.517714      155.7845 77.32195 34.35070 59.20550 26.55608 18.11644       43.41885 
1 1 1 5   -6  0  o 310.1678 7.131082 2302.503       105.7452 2302.503       105.7452 0.000000       0.000000 310.1678 7.131082 ?        ?        0.000000       7.131082 
1 1 1 5   -6  1  o 259.5740 7.120368 1613.805       88.27985 1613.805       88.27985 0.000000       0.000000 259.5740 7.120368 ?        ?        0.000000       7.120368 
1 1 1 5   -6  2  o 213.4636 6.903244 1091.620       70.35807 1108.603       101.8305 1076.106       97.32498 214.8708 9.939636 211.7198 9.640413 3.151031       13.84680 
1 1 1 5   -6  3  o 291.0969 8.399590 2030.697       116.7749 1982.005       234.2453 2046.799       134.7070 286.4336 17.18463 292.1320 9.658291 -5.698364      19.71279 
1 1 1 5   -6  4  o 174.4773 7.996659 730.3491       66.52725 775.1205       86.58936 665.8430       103.9357 179.5670 10.12730 166.0311 13.20249 13.53590       16.63934 
1 1 1 5   -6  5  o 597.8981 9.820271 8565.430       280.7107 7547.603       805.7508 8706.029       299.4721 554.8957 30.48971 602.7006 10.39313 -47.80493      32.21241 
1 1 1 5   -6  6  o 276.3403 7.085569 1828.887       93.53388 1950.226       137.6139 1724.703       127.5162 285.0934 10.11242 268.0963 9.966044 16.99710       14.19800 
1 1 1 5   -6  7  o 222.2655 8.491923 1184.774       90.07138 1273.115       115.2267 1045.995       144.4218 230.2236 10.49636 208.1237 14.60728 22.09985       17.98739 
1 1 1 5   -6  8  f 209.2053 8.415836 1049.814       84.00227 1066.339       146.0164 1041.639       102.6989 210.1297 14.62600 208.2049 10.34975 1.924759       17.91751 
1 1 1 5   -6  9  f 828.0973 28.32411 16760.56       1119.712 16662.54       1584.655 16858.30       1582.370 816.1760 40.73969 821.2444 40.42631 -5.068420      57.39346 
1 1 1 5   -6  10 o 352.9732 9.052325 2986.976       152.6342 2664.242       321.4731 3080.905       173.4290 331.3357 20.39282 358.3524 10.13303 -27.01669      22.77160 
1 1 1 5   -6  11 f 382.2396 9.477118 3501.815       173.1890 3633.029       379.9832 3467.410       194.5743 386.9136 20.61640 380.0684 10.71888 6.845215       23.23640 
1 1 1 5   -6  12 o 508.3979 8.008081 6191.163       194.6438 5864.823       283.4280 6482.451       267.7744 494.1913 11.99608 519.7910 10.77536 -25.59973      16.12496 
1 1 1 5   -6  13 o 298.9939 9.653569 2146.234       137.8126 2223.709       258.3930 2115.435       162.9188 302.7739 17.93094 296.5686 11.51233 6.205322       21.30850 
1 1 1 5   -6  14 o 422.6628 9.288889 4284.804       187.7008 4128.352       291.1191 4396.118       245.5569 413.5618 14.74748 427.4652 12.02749 -13.90341      19.03020 
1 1 1 5   -6  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -6  16 o 262.4477 12.51999 1662.471       156.6393 1915.136       230.8371 1446.841       213.2497 280.5484 17.29440 243.3885 18.46428 37.15990       25.29873 
1 1 1 5   -6  17 o 291.8679 13.04485 2058.706       181.5662 2264.788       266.0587 1879.077       248.3970 304.5704 18.35702 277.1639 18.85800 27.40643       26.31738 
1 1 1 5   -6  18 o 131.9848 18.88345 433.0909       115.7638 321.8591       148.9525 602.7611       183.9653 111.3983 28.00283 153.9396 25.91601 -42.54128      38.15492 
1 1 1 5   -6  19 o 117.5065 22.39867 350.9052       121.2404 436.7498       157.0276 224.1935       190.7778 130.2915 26.11901 96.89311 33.66832 33.39844       42.61172 
1 1 1 5   -6  20 o 157.0678 15.36810 604.4578       113.9275 565.7621       179.6582 630.4844       147.3412 148.5407 26.25868 159.2129 19.78238 -10.67218      32.87644 
1 1 1 5   -6  21 o 345.8572 12.77166 2895.937       210.8172 2909.231       357.6963 2888.862       260.9578 342.4725 21.96218 344.2448 15.89897 -1.772308      27.11300 
1 1 1 5   -6  22 o 280.5485 14.16008 1914.426       189.3109 2006.612       282.8896 1839.658       254.7655 284.3802 20.95415 272.8326 19.66343 11.54758       28.73546 
1 1 1 5   -6  23 o 180.2432 16.26525 799.1711       138.6547 410.7812       226.3672 1032.387       175.4115 123.0246 36.12263 204.3798 18.14019 -81.35519      40.42167 
1 1 1 5   -6  24 o 206.9522 18.07322 1060.364       177.0268 1005.939       257.4468 1109.178       243.8162 196.8517 28.15622 208.5601 24.94674 -11.70834      37.61798 
1 1 1 5   -6  25 o 257.4892 16.51319 1631.086       202.2102 1848.267       374.9970 1542.045       240.1096 265.9101 30.02177 248.4998 20.38958 17.41029       36.29107 
1 1 1 5   -6  26 o 47.30335 21.84779 -82.50093      115.6548 -197.0158      209.9600 -32.61833      138.5735 59.76234 28.19374 57.24202 25.40075 2.520321       37.94845 
1 1 1 5   -6  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -6  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -6  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -6  31 o 187.2678 31.97291 1002.336       275.9873 1002.336       275.9873 0.000000       0.000000 187.2678 31.97291 ?        ?        0.000000       31.97291 
1 1 1 5   -6  32 o 169.8078 23.84407 781.9055       188.2480 920.8460       429.2431 748.8190       209.4663 150.9106 50.54396 162.7142 27.93221 -11.80353      57.74860 
1 1 1 5   -6  33 o 127.6572 25.85312 461.8277       152.3688 52.18212       268.2176 657.0157       185.1441 77.76607 34.86612 152.4032 26.36398 -74.63710      43.71162 
1 1 1 5   -6  34 o 93.35581 28.88741 268.9264       142.0603 58.06346       232.3140 394.8696       179.5406 72.64030 32.51733 110.3202 32.10846 -37.67989      45.69825 
1 1 1 5   -5  0  o 731.2363 7.954385 12800.44       278.0819 12800.44       278.0819 0.000000       0.000000 731.2363 7.954385 ?        ?        0.000000       7.954385 
1 1 1 5   -5  1  o 79.62799 7.917614 153.2792       29.74283 153.2792       29.74283 0.000000       0.000000 79.62799 7.917614 ?        ?        0.000000       7.917614 
1 1 1 5   -5  2  o 354.7980 5.663415 3011.329       96.06561 3061.930       118.2150 2912.939       164.8420 357.7025 6.912615 348.5522 9.902206 9.150299       12.07634 
1 1 1 5   -5  3  o 342.7752 6.894572 2811.671       112.9861 2953.961       161.4930 2675.240       158.1329 351.0307 9.631879 334.0178 9.913459 17.01291       13.82207 
1 1 1 5   -5  4  o 217.6188 6.929675 1134.435       72.00518 1147.191       104.4259 1122.872       99.41986 218.5929 10.01890 216.2939 9.638575 2.298996       13.90254 
1 1 1 5   -5  5  o 306.3510 8.358240 2248.661       122.3028 2338.791       142.6767 1998.936       237.4909 312.3241 9.566463 287.6858 17.34774 24.63834       19.81064 
1 1 1 5   -5  6  f 491.9221 9.573778 5796.623       225.1584 6140.522       588.0357 5737.541       243.7332 502.8292 24.53510 489.3150 10.41880 13.51419       26.65563 
1 1 1 5   -5  7  o 165.2634 8.031593 655.3844       63.26802 572.5106       104.0305 704.0288       79.70189 153.7394 14.31822 171.1492 9.781321 -17.40985      17.34029 
1 1 1 5   -5  8  f 258.7628 7.422249 1603.980       91.72692 1472.885       133.9895 1719.608       125.8369 247.5931 11.34960 267.7259 9.848044 -20.13278      15.02655 
1 1 1 5   -5  9  o 458.6249 9.678597 5039.290       212.2162 5092.080       234.5805 4801.361       498.0097 460.9124 10.64548 444.6330 23.51116 16.27936       25.80893 
1 1 1 5   -5  10 o 339.8375 7.620561 2764.657       123.8131 2660.158       180.2099 2858.087       170.3981 332.8734 11.34033 345.1718 10.33739 -12.29831      15.34486 
1 1 1 5   -5  11 o 78.75954 13.17010 152.9198       47.84109 184.6124       64.09033 113.0380       71.89540 86.22154 16.14086 68.08016 20.44995 18.14138       26.05240 
1 1 1 5   -5  12 o 343.7436 8.044301 2829.452       132.1999 2636.275       192.9350 3000.420       181.5059 331.2057 12.20529 353.5736 10.74997 -22.36792      16.26441 
1 1 1 5   -5  13 o 140.0296 10.56083 472.8631       70.18000 420.9215       103.0073 517.8608       95.87511 131.1238 16.81829 146.1367 13.88944 -15.01297      21.81219 
1 1 1 5   -5  14 o 185.3287 10.60114 826.5839       93.53796 925.0012       137.0297 740.7137       127.9971 195.5019 14.76997 174.7077 15.48446 20.79428       21.39908 
1 1 1 5   -5  15 o 148.6116 14.66717 536.9731       102.8524 491.4706       196.7876 554.0747       120.6418 138.5888 30.52654 150.5447 17.06245 -11.95587      34.97137 
1 1 1 5   -5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -5  17 o 447.9964 12.40130 4833.867       265.3578 5165.307       325.7621 4180.247       457.4681 462.3975 14.75479 412.6545 23.28258 49.74298       27.56415 
1 1 1 5   -5  18 o 102.1108 25.39611 266.9913       123.4625 325.3720       241.5838 246.3535       143.6365 114.2886 37.90994 98.44196 28.73841 15.84662       47.57162 
1 1 1 5   -5  19 o 250.9346 13.34809 1524.239       159.5596 2055.370       278.8321 1265.629       194.5648 289.2842 20.28955 227.3797 18.04590 61.90454       27.15364 
1 1 1 5   -5  20 o 309.3510 11.89178 2310.781       175.5485 2744.337       312.4734 2110.833       212.2020 334.3585 19.63396 294.7283 15.11023 39.63016       24.77522 
1 1 1 5   -5  21 o 352.5711 14.86378 3019.840       249.9821 3009.572       366.1035 3028.808       342.1654 348.6359 22.07801 350.5820 20.50397 -1.946106      30.13057 
1 1 1 5   -5  22 o 288.3235 13.22039 2015.269       181.7503 2480.543       276.8330 1662.785       240.9535 317.9854 18.28681 259.6530 19.55395 58.33231       26.77245 
1 1 1 5   -5  23 o 158.3310 17.25346 619.2099       128.4919 652.5696       186.8993 589.3110       176.9394 159.7923 25.30704 151.6995 25.28636 8.092819       35.77494 
1 1 1 5   -5  24 o 105.7192 28.37998 294.0025       146.4370 557.0754       282.0743 196.9434       171.3340 141.5352 39.95004 90.81512 31.88261 50.72004       51.11268 
1 1 1 5   -5  25 o 285.6063 13.94441 1987.260       189.8285 2101.799       288.8302 1900.161       251.8661 290.3774 20.94593 276.9751 19.13812 13.40234       28.37251 
1 1 1 5   -5  26 o 254.3708 14.06181 1579.667       170.3428 1689.023       272.8271 1509.801       218.0708 259.1040 22.23936 246.7359 18.62409 12.36812       29.00768 
1 1 1 5   -5  27 o 237.8283 16.01302 1390.927       181.0116 1036.987       349.4900 1520.679       211.6050 192.1459 39.36940 247.8341 17.98127 -55.68817      43.28135 
1 1 1 5   -5  28 o 77.95190 24.30029 154.7827       100.3185 354.0237       203.6236 90.92284       115.2796 113.5388 34.48319 67.85947 25.76968 45.67932       43.04843 
1 1 1 5   -5  29 o 245.1001 14.54570 1477.945       169.6793 1718.868       280.0411 1338.188       213.2897 259.2013 22.83144 230.5717 19.53248 28.62962       30.04650 
1 1 1 5   -5  30 o 130.1320 22.31121 441.7195       133.8148 170.7276       434.6513 470.0941       140.6461 104.9699 45.83538 134.1250 22.74541 -29.15511      51.16869 
1 1 1 5   -5  31 o 61.48185 26.53496 13.42774       142.2155 -3.112511      249.7088 21.36832       173.0170 76.36548 33.97979 67.50726 29.20191 8.858215       44.80378 
1 1 1 5   -5  32 o 84.34194 28.38779 192.6339       135.3901 -64.80119      209.4704 377.3459       177.4338 65.39038 29.90636 113.7418 31.53382 -48.35144      43.46001 
1 1 1 5   -5  33 o 97.73933 31.41737 285.0400       166.5497 94.74861       363.7416 335.5182       187.3419 88.72393 40.11733 104.5541 33.29099 -15.83017      52.13147 
1 1 1 5   -5  34 o 82.62930 32.28378 183.3872       184.6219 74.53899       225.5739 404.2491       321.3207 75.20589 32.92514 106.5618 42.29530 -31.35587      53.59998 
1 1 1 5   -5  35 o 64.03012 31.40405 -323.8751      327.9023 0.000000       0.000000 -323.8751      327.9023 ?        ?        64.03012 31.40405 0.000000       31.40405 
1 1 1 5   -4  0  o 317.8576 6.937594 2418.357       105.4265 2418.357       105.4265 0.000000       0.000000 317.8576 6.937594 ?        ?        0.000000       6.937594 
1 1 1 5   -4  1  o 575.5062 7.498058 7929.625       206.3038 7929.625       206.3038 0.000000       0.000000 575.5062 7.498058 ?        ?        0.000000       7.498058 
1 1 1 5   -4  2  o 453.1602 5.840277 4913.435       126.5300 4860.480       155.3456 5017.813       218.0971 450.6020 7.211036 457.5419 9.970355 -6.939941      12.30476 
1 1 1 5   -4  3  o 365.7603 6.896618 3201.973       120.5983 3338.705       171.8848 3069.402       169.2492 373.1406 9.643187 357.7337 9.905506 15.40692       13.82426 
1 1 1 5   -4  4  o 149.4249 6.977282 535.5518       49.70689 544.3823       72.47216 527.7075       68.30508 150.3736 10.14000 148.0873 9.701184 2.286240       14.03327 
1 1 1 5   -4  5  o 406.3693 7.059959 3952.254       137.1613 4103.662       196.3672 3808.005       191.6687 413.8361 9.925039 398.5098 10.06820 15.32635       14.13772 
1 1 1 5   -4  6  o 254.0805 6.942661 1546.077       84.25553 1667.654       122.0630 1435.433       116.4460 263.6616 9.699956 244.5629 9.980194 19.09866       13.91738 
1 1 1 5   -4  7  o 407.2045 7.223128 3968.393       140.6197 4060.901       202.0827 3881.549       195.7988 411.6762 10.26751 402.3622 10.18670 9.313965       14.46343 
1 1 1 5   -4  8  o 730.4525 10.68324 12786.91       373.0811 12009.63       1196.669 12870.60       392.6513 697.9559 35.98375 732.7452 11.20845 -34.78931      37.68899 
1 1 1 5   -4  9  o 556.5160 9.948132 7419.913       264.6839 7511.924       286.0889 6873.139       697.4048 559.8599 10.68841 531.0195 27.56483 28.84039       29.56454 
1 1 1 5   -4  10 o 560.1507 10.33645 7518.846       276.8118 7521.052       298.6111 7505.368       738.0329 560.1207 11.15105 554.7326 27.91785 5.388123       30.06247 
1 1 1 5   -4  11 o 329.2647 13.13208 2606.226       206.3076 2616.304       293.1861 2596.341       290.3603 328.9546 18.71955 327.7150 18.60891 1.239532       26.39533 
1 1 1 5   -4  12 o 442.3439 9.793303 4688.254       207.1083 4713.859       485.5623 4682.561       228.9826 440.6247 23.13084 441.9597 10.83706 -1.334991      25.54365 
1 1 1 5   -4  13 o 104.4725 12.26033 265.4574       60.07288 232.0050       105.9419 281.3106       72.93117 95.96973 23.32195 107.2209 14.60684 -11.25115      27.51859 
1 1 1 5   -4  14 o 137.4110 11.86013 456.3984       77.15283 359.0986       128.6901 510.9941       96.39806 119.7143 23.32364 145.1519 14.06726 -25.43761      27.23748 
1 1 1 5   -4  15 o 295.6111 9.040228 2095.807       127.6139 2033.210       193.0918 2144.353       170.0439 290.4961 13.94393 298.6566 11.93317 -8.160492      18.35303 
1 1 1 5   -4  16 o 447.2975 9.602899 4796.966       205.3559 4468.518       325.7236 5013.642       264.5585 430.3228 15.85952 456.7254 12.12670 -26.40262      19.96450 
1 1 1 5   -4  17 o 274.8823 13.16517 1821.913       172.5112 1943.741       261.4126 1727.927       229.6059 282.5331 19.47211 266.6478 18.11857 15.88528       26.59785 
1 1 1 5   -4  18 o 239.3298 12.61688 1382.103       143.8534 1485.722       226.0766 1311.606       186.4743 246.6591 19.32542 232.2594 16.90917 14.39972       25.67863 
1 1 1 5   -4  19 o 369.8712 15.27254 3311.690       269.4851 3194.075       391.9317 3417.157       371.1370 360.4460 22.86154 373.7235 20.85457 -13.27744      30.94452 
1 1 1 5   -4  20 o 37.23718 17.63959 -98.10323      83.78384 254.7502       247.2935 -143.8586      89.05054 105.7040 38.17488 35.39172 17.13270 70.31228       41.84317 
1 1 1 5   -4  21 o 74.92724 25.53897 130.5484       109.6008 137.4520       150.5187 122.7569       159.9046 80.84960 29.69416 79.98804 30.35618 0.8615646      42.46458 
1 1 1 5   -4  22 o 139.1507 19.22179 482.2874       124.4638 292.5629       177.0020 667.8525       175.0510 106.2207 32.12701 162.8700 23.13069 -56.64928      39.58754 
1 1 1 5   -4  23 o 321.5313 14.38660 2511.469       220.5914 2583.650       330.8853 2453.723       295.9557 322.9589 21.55334 315.6045 19.71284 7.354431       29.20860 
1 1 1 5   -4  24 o 392.5381 14.49775 3745.583       271.6090 3728.115       362.4250 3767.962       410.2274 388.9924 19.55074 389.4566 22.12316 -0.4641724     29.52398 
1 1 1 5   -4  25 o 261.2541 13.93407 1661.092       173.4106 1694.929       271.8296 1637.872       225.1831 260.5013 22.03263 257.7280 18.39633 2.773376       28.70299 
1 1 1 5   -4  26 o 91.50804 22.41061 216.8143       97.25034 192.3328       188.0442 225.7529       113.6256 91.17649 33.23717 93.04707 25.00832 -1.870583      41.59478 
1 1 1 5   -4  27 o 214.4895 14.43328 1125.989       147.1444 1101.803       242.8846 1140.012       184.9474 207.4699 24.98968 214.3663 18.21852 -6.896378      30.92569 
1 1 1 5   -4  28 o 94.59380 23.17165 233.3833       103.9495 161.3347       202.0426 259.3204       121.2246 88.17189 33.95803 99.25098 25.43383 -11.07909      42.42673 
1 1 1 5   -4  29 o 240.0305 15.78498 1418.906       180.1366 1633.301       355.1946 1344.669       209.0094 248.1622 30.58430 232.1208 19.00016 16.04134       36.00563 
1 1 1 5   -4  30 o 151.7299 21.59724 591.7086       152.2486 605.5574       227.4291 580.4626       204.9459 147.1038 33.13632 145.5614 30.43095 1.542435       44.98954 
1 1 1 5   -4  31 o 138.6793 28.51898 525.3563       182.7662 -111.1986      362.9059 741.6710       211.5530 83.67836 38.66691 166.0096 27.62535 -82.33127      47.52147 
1 1 1 5   -4  32 o 79.21249 29.18318 150.9676       145.5680 242.9549       205.7398 58.75748       205.9888 95.39972 34.76752 75.50314 32.24851 19.89658       47.42096 
1 1 1 5   -4  33 o 208.9730 16.97275 1106.258       168.1121 984.2291       255.3068 1199.669       223.3733 186.9875 29.53870 213.5325 22.20447 -26.54497      36.95366 
1 1 1 5   -4  34 o 151.3267 21.42825 612.0655       150.6968 799.4419       236.9307 484.7650       195.2895 164.2579 31.31347 126.0762 32.26778 38.18167       44.96380 
1 1 1 5   -4  35 o 175.2161 19.86867 815.2327       163.5029 692.2998       251.3352 905.4284       215.2843 145.0010 36.33327 178.8683 25.93032 -33.86728      44.63730 
1 1 1 5   -4  36 o 136.7422 37.51292 672.0209       252.5890 -193.0811      389.6692 1298.940       331.7174 72.54357 35.28462 194.5216 37.02116 -121.9781      51.14265 
1 1 1 5   -3  0  o 351.1115 7.089435 2952.783       119.0050 2952.783       119.0050 0.000000       0.000000 351.1115 7.089435 ?        ?        0.000000       7.089435 
1 1 1 5   -3  1  o 253.8282 6.812908 1544.087       82.60149 1544.087       82.60149 0.000000       0.000000 253.8282 6.812908 ?        ?        0.000000       6.812908 
1 1 1 5   -3  2  o 141.5475 5.543192 480.2522       37.43951 469.3498       46.26476 500.9396       63.72989 139.8194 6.942808 144.2214 9.292281 -4.402054      11.59953 
1 1 1 5   -3  3  o 425.0066 7.161000 4326.253       145.5049 4053.174       206.7043 4594.478       204.8583 410.7784 10.53397 437.6151 9.791582 -26.83667      14.38192 
1 1 1 5   -3  4  o 364.9542 7.047730 3189.530       122.9691 3061.021       175.3139 3313.987       172.5287 357.0229 10.28169 371.5834 9.720078 -14.56042      14.14896 
1 1 1 5   -3  5  o 178.5975 7.103944 764.9578       60.53631 677.4551       87.15199 846.5352       84.14948 167.6618 10.93225 187.6755 9.408549 -20.01370      14.42342 
1 1 1 5   -3  6  o 56.22972 10.51790 78.27969       27.23590 81.40735       43.14809 76.20811       35.11570 57.19688 15.42745 55.21954 13.43202 1.977345       20.45544 
1 1 1 5   -3  7  o 209.5235 7.257365 1052.173       72.58785 1070.626       105.1507 1035.374       100.3284 211.0598 10.45326 207.5809 10.14015 3.478912       14.56343 
1 1 1 5   -3  8  o 751.8115 8.232090 13533.97       295.8881 12959.84       421.5691 14091.41       415.3970 734.9999 11.99701 766.5625 11.33463 -31.56256      16.50461 
1 1 1 5   -3  9  o 186.1837 9.892704 832.8373       87.74117 802.2944       125.3500 862.1776       122.8571 182.1887 14.51094 189.0167 13.68812 -6.827988      19.94823 
1 1 1 5   -3  10 o 688.6664 10.44060 11364.61       343.7500 10088.88       1048.489 11518.25       363.8611 640.3944 34.37178 693.2168 10.97888 -52.82239      36.08261 
1 1 1 5   -3  11 f 157.2437 9.929739 594.6983       74.26698 507.6330       107.0858 675.3828       103.0871 144.4832 15.75775 167.2741 12.99222 -22.79091      20.42314 
1 1 1 5   -3  12 o 274.8958 9.213660 1811.935       120.9190 1705.481       219.0903 1858.566       145.0040 265.6386 17.34626 278.2442 10.92169 -12.60562      20.49820 
1 1 1 5   -3  13 o 138.8822 10.34698 464.7880       68.20824 440.1958       99.78431 486.3567       93.44907 134.3910 15.83400 141.6326 13.98301 -7.241562      21.12440 
1 1 1 5   -3  14 o 541.8264 19.20901 7090.149       496.8048 7181.058       704.4315 7000.185       700.7592 542.5110 27.24672 535.5330 27.46166 6.978088       38.68497 
1 1 1 5   -3  15 o 70.01025 18.48719 122.4394       62.78328 34.72560       82.98962 239.8186       96.00314 53.60717 21.42301 97.75249 21.15723 -44.14531      30.10936 
1 1 1 5   -3  16 o 193.0134 12.74659 898.4271       116.9639 1086.670       235.0042 836.4419       134.8530 210.2779 23.79376 185.8330 15.31432 24.44484       28.29613 
1 1 1 5   -3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -3  18 o 334.5637 12.11785 2693.179       193.5061 2693.853       333.8205 2692.838       237.4743 332.4255 21.11350 333.9868 14.90992 -1.561310      25.84735 
1 1 1 5   -3  19 o 355.1087 13.53097 3041.287       229.2996 3185.594       311.7438 2871.188       338.4583 362.2113 18.05923 342.9714 20.73829 19.23990       27.49932 
1 1 1 5   -3  20 o 472.7974 17.78146 5429.322       401.2141 5466.445       574.7292 5394.033       560.3490 470.4314 25.65103 467.5825 25.15905 2.848969       35.92984 
1 1 1 5   -3  21 o 116.8075 18.63773 339.9096       100.5855 395.2682       170.9872 310.6151       124.3840 123.4519 29.39466 110.2549 24.25706 13.19700       38.11103 
1 1 1 5   -3  22 o 285.1218 13.92316 1970.411       189.2176 2001.010       281.9888 1945.350       255.2003 284.9308 20.84489 281.6133 19.06724 3.317474       28.25012 
1 1 1 5   -3  23 o 106.0524 20.36971 284.8116       99.52650 242.0108       170.8367 306.8018       122.4532 98.10953 31.84346 109.2267 24.09702 -11.11716      39.93335 
1 1 1 5   -3  24 o 120.2455 21.34657 366.2297       118.2224 229.8262       283.6394 394.9090       130.0583 104.7151 40.25952 124.5716 22.67290 -19.85644      46.20486 
1 1 1 5   -3  25 o 128.5397 18.27600 412.2519       109.1510 427.6912       189.0374 404.5301       133.6884 126.7991 31.36001 125.8363 23.07178 0.9628143      38.93273 
1 1 1 5   -3  26 o 152.2943 18.58594 577.4521       132.5244 718.6336       301.9710 543.7737       147.4864 160.6963 39.57180 146.6852 21.68347 14.01109       45.12317 
1 1 1 5   -3  27 o 69.09716 24.28315 108.9627       99.40836 121.1778       181.5135 103.7293       118.8102 81.46704 31.95741 70.74976 26.30998 10.71729       41.39434 
1 1 1 5   -3  28 o 75.14044 28.37753 115.6345       139.3374 18.36248       194.0324 219.2083       200.2189 72.28281 31.09350 95.19477 34.35373 -22.91196      46.33557 
1 1 1 5   -3  29 o 242.7239 15.45143 1446.800       178.3729 1592.486       271.4560 1336.097       236.6297 250.8395 22.88763 230.2340 21.75567 20.60547       31.57773 
1 1 1 5   -3  30 o 115.2217 22.30459 344.2639       118.4264 262.2154       212.5173 381.2182       142.6238 100.6802 35.49488 120.0872 25.62325 -19.40701      43.77713 
1 1 1 5   -3  31 o 223.7087 15.44368 1238.460       164.1605 1093.020       265.2410 1328.761       208.9989 202.3707 28.17796 229.6649 19.21030 -27.29425      34.10327 
1 1 1 5   -3  32 f 165.9408 17.91040 695.4417       139.8428 448.2396       245.3362 814.4136       170.1993 122.6207 37.96562 178.4008 20.31664 -55.78008      43.05989 
1 1 1 5   -3  33 o 196.0681 19.98494 985.7426       184.7184 647.6893       250.0599 1391.764       274.0475 147.7413 35.78543 228.6942 25.49789 -80.95288      43.94019 
1 1 1 5   -3  34 o 133.1400 27.52444 499.8182       169.4090 348.3091       218.9801 725.6664       267.3582 106.1458 36.10073 152.1287 37.09830 -45.98289      51.76434 
1 1 1 5   -3  35 o 53.08402 24.13822 -40.31969      133.9593 -343.5092      200.7060 203.2474       179.8923 48.65846 24.00200 85.23394 32.23168 -36.57548      40.18678 
1 1 1 5   -3  36 o 48.70805 23.04029 -110.7319      141.9691 -614.6721      220.4875 246.1618       185.5513 43.32457 21.90281 89.01066 32.92065 -45.68608      39.54115 
1 1 1 5   -3  37 o 57.87723 27.13460 -70.36963      189.2087 -270.5056      230.1145 347.3391       332.4437 53.86961 26.39744 93.72379 40.51048 -39.85417      48.35209 
1 1 1 5   -2  0  o 366.5538 9.834471 3230.129       172.1887 3230.129       172.1887 0.000000       0.000000 366.5538 9.834471 ?        ?        0.000000       9.834471 
1 1 1 5   -2  1  o 158.4124 6.631633 602.2769       50.11368 602.2769       50.11368 0.000000       0.000000 158.4124 6.631633 ?        ?        0.000000       6.631633 
1 1 1 5   -2  2  o 181.7664 6.685416 792.6571       57.99757 787.5736       82.62756 797.5941       81.42750 180.8345 9.591610 182.0125 9.389270 -1.178070      13.42227 
1 1 1 5   -2  3  o 244.4895 6.696156 1433.219       78.19608 1488.390       111.5620 1379.938       109.6351 248.7942 9.396126 239.5149 9.593747 9.279312       13.42859 
1 1 1 5   -2  4  o 431.1787 7.052444 4454.998       145.3802 4636.708       207.2062 4278.820       204.0280 439.3751 9.864132 422.0270 10.11210 17.34808       14.12641 
1 1 1 5   -2  5  o 348.7626 6.992538 2914.181       116.5932 3008.709       166.8024 2823.871       163.0374 353.8436 9.869767 342.7772 9.959271 11.06644       14.02139 
1 1 1 5   -2  6  o 178.2081 7.180276 762.0669       61.05018 796.4703       89.03506 731.5378       83.87205 181.8357 10.28365 174.2648 10.11040 7.570969       14.42129 
1 1 1 5   -2  7  o 334.3307 7.168884 2677.171       114.5872 2773.455       164.8967 2587.259       159.3473 339.8065 10.16155 328.1906 10.16798 11.61597       14.37515 
1 1 1 5   -2  8  o 281.5242 11.84257 1906.680       159.0373 1908.598       225.8571 1904.793       223.9800 280.7453 16.90557 280.4911 16.77921 0.2541809      23.81890 
1 1 1 5   -2  9  o 280.7667 8.800501 1890.401       117.9844 1989.972       227.5282 1853.781       137.9857 286.9171 16.65874 277.8544 10.40583 9.062744       19.64166 
1 1 1 5   -2  10 o 415.1707 9.723224 4130.127       192.9947 4154.486       216.6664 4036.569       424.6292 416.1252 10.90017 407.9224 21.85304 8.202789       24.42067 
1 1 1 5   -2  11 o 163.0105 9.903188 638.9649       76.81485 615.4554       111.7594 660.0158       105.7543 159.3751 14.83793 165.2742 13.50151 -5.899124      20.06129 
1 1 1 5   -2  12 o 264.8237 9.251526 1681.692       116.9529 1755.905       212.0029 1649.227       140.2193 269.7104 16.52055 262.0588 11.21777 7.651581       19.96915 
1 1 1 5   -2  13 o 400.2798 15.10643 3855.170       288.5717 3884.960       409.8999 3825.896       406.3277 400.4999 21.48621 397.4406 21.46398 3.059265       30.37037 
1 1 1 5   -2  14 o 189.3808 9.969658 861.6881       89.94812 825.5891       139.0037 887.6926       117.9783 184.6255 15.90287 191.8995 12.93495 -7.273987      20.49912 
1 1 1 5   -2  15 o 272.6720 10.72296 1785.002       139.5134 1766.292       179.7510 1813.351       221.2566 270.8345 13.92901 273.9496 16.97683 -3.115051      21.95974 
1 1 1 5   -2  16 o 325.5317 13.35011 2549.017       207.3310 2597.818       296.4353 2502.284       290.0883 327.6024 19.00832 321.5132 18.95634 6.089172       26.84509 
1 1 1 5   -2  17 o 211.0023 14.86550 1075.987       149.0001 768.6525       259.0627 1227.909       182.1412 174.2574 32.28467 225.1101 17.05087 -50.85272      36.51071 
1 1 1 5   -2  18 o 393.5268 15.54474 3734.983       291.8844 4020.249       420.1713 3468.926       405.7787 406.6252 21.69193 377.3589 22.59540 29.26633       31.32238 
1 1 1 5   -2  19 o 474.5891 13.59179 5423.767       308.0740 5312.494       363.8737 5705.433       578.9248 468.9541 16.25433 482.5314 25.18221 -13.57727      29.97243 
1 1 1 5   -2  20 o 603.7875 21.26269 8886.681       612.8190 9483.982       871.2777 8301.885       862.1088 618.2499 29.56272 577.0247 31.36863 41.22528       43.10389 
1 1 1 5   -2  21 o 358.1332 15.33227 3105.246       261.9107 2788.580       377.9149 3397.912       363.3119 336.3994 23.64866 372.8508 20.45992 -36.45142      31.27087 
1 1 1 5   -2  22 o 275.2781 13.96445 1835.015       183.1820 1769.662       269.8581 1890.862       249.4597 268.0710 21.22928 277.9861 18.88228 -9.915131      28.41166 
1 1 1 5   -2  23 o 342.3403 13.02187 2834.567       212.7391 3373.431       363.9467 2554.887       262.1975 370.3329 20.63756 323.6479 17.00489 46.68503       26.74089 
1 1 1 5   -2  24 o 262.2090 13.96275 1669.547       174.4047 1740.157       260.7155 1612.359       234.6322 265.2716 20.72169 255.8487 19.32498 9.422913       28.33449 
1 1 1 5   -2  25 o 231.3932 13.96776 1302.175       153.8009 1500.521       237.1859 1158.265       202.0332 246.1851 20.33317 216.3175 19.75316 29.86763       28.34829 
1 1 1 5   -2  26 o 224.3243 14.15529 1226.105       151.0369 1480.071       235.7803 1049.367       196.6912 244.1798 20.38288 205.3784 20.29699 38.80144       28.76508 
1 1 1 5   -2  27 o 208.9891 14.54071 1067.307       144.3778 1361.903       228.9783 872.8912       186.0144 233.7303 20.70534 186.5525 21.23378 47.17784       29.65779 
1 1 1 5   -2  28 o 68.59168 29.41533 15.73897       172.6546 -160.4662      308.6896 95.95631       208.2796 77.45952 35.74646 81.97408 33.51022 -4.514565      48.99739 
1 1 1 5   -2  29 o 48.97492 21.82211 -31.79192      103.3533 160.7233       187.7281 -115.5230      123.8056 86.58875 32.88431 46.68047 21.90566 39.90828       39.51247 
1 1 1 5   -2  30 o 224.0046 16.80619 1240.313       178.6721 1396.939       353.4465 1186.549       207.0796 227.4786 33.50147 217.5231 20.14109 9.955460       39.08980 
1 1 1 5   -2  31 o 154.9150 18.50185 603.8251       134.3245 565.3188       229.9561 623.7688       165.4936 141.9271 34.27904 155.4895 22.95151 -13.56241      41.25317 
1 1 1 5   -2  32 o 182.2962 23.86924 866.2866       203.0370 418.8226       359.9337 1075.124       245.8940 119.6029 45.50763 201.7882 26.09918 -82.18525      52.46058 
1 1 1 5   -2  33 o 207.1868 16.00681 1071.227       157.3246 865.5582       247.0666 1211.497       204.0385 176.9256 30.29797 218.0529 19.78753 -41.12732      36.18720 
1 1 1 5   -2  34 o 176.4187 17.27680 788.9376       143.8529 880.7631       234.0933 733.2229       182.3442 178.5108 28.37819 166.0614 23.63395 12.44939       36.93081 
1 1 1 5   -2  35 o 74.77221 32.07861 80.75154       205.4863 80.75154       205.4863 0.000000       0.000000 74.77221 32.07861 ?        ?        0.000000       32.07861 
1 1 1 5   -2  36 o 141.4503 21.55748 541.7523       141.1824 295.9260       232.9133 684.5402       177.5112 96.27835 36.61351 156.7633 24.48519 -60.48497      44.04626 
1 1 1 5   -2  37 o 86.65623 27.82774 229.7399       130.6875 654.8513       224.2472 11.09762       160.8210 140.6822 33.77022 60.56990 27.08883 80.11227       43.29240 
1 1 1 5   -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -1  3  o 154.0108 6.656635 569.3685       48.89760 612.5146       69.70764 527.5718       68.60875 159.4603 9.182478 147.8740 9.759198 11.58630       13.39999 
1 1 1 5   -1  4  o 373.1228 7.009720 3336.746       125.0434 3344.005       177.7889 3329.640       175.9024 372.8947 9.981617 372.1113 9.896374 0.7833557      14.05599 
1 1 1 5   -1  5  o 377.4763 8.890755 3420.417       160.4489 3312.057       360.3792 3447.207       179.1884 367.5724 20.58959 378.6330 9.907327 -11.06061      22.84921 
1 1 1 5   -1  6  o 22.76788 9.960163 -4.736936      20.60793 9.890937       35.76614 -12.00674      25.21406 33.94396 13.88242 23.77384 10.67204 10.17012       17.51039 
1 1 1 5   -1  7  o 202.7338 8.233910 987.3682       79.64088 1064.214       101.0444 861.3344       129.4030 210.2354 10.08244 188.3176 14.48412 21.91785       17.64782 
1 1 1 5   -1  8  o 189.2478 9.897285 862.1566       89.23665 844.7834       127.1102 879.0408       125.3085 186.6042 14.35821 190.4658 13.85592 -3.861526      19.95357 
1 1 1 5   -1  9  o 305.1077 8.984387 2234.020       130.9112 2252.788       257.5985 2227.485       152.0031 304.6685 17.76212 304.4495 10.45862 0.2190552      20.61251 
1 1 1 5   -1  10 o 652.0309 22.64293 10341.29       704.7735 10377.94       997.3236 10304.72       996.0781 647.4377 32.32253 645.0908 32.40088 2.346924       45.76639 
1 1 1 5   -1  11 o 297.7505 12.33402 2131.587       175.1960 2186.910       248.9746 2077.327       246.5721 300.7466 17.39010 293.0326 17.68256 7.713959       24.80098 
1 1 1 5   -1  12 o 356.1758 13.87773 3051.027       235.8627 3084.495       334.6419 3017.989       332.4891 357.0412 19.68053 353.1397 19.77244 3.901520       27.89754 
1 1 1 5   -1  13 o 494.7533 17.85181 5900.756       421.5671 5798.849       597.0919 6002.047       595.2842 488.2814 25.66792 496.9580 25.13674 -8.676636      35.92628 
1 1 1 5   -1  14 o 106.7260 11.16015 276.0015       56.10331 268.7581       82.98995 282.0980       76.13644 104.3345 17.23907 107.2941 15.27336 -2.959633      23.03174 
1 1 1 5   -1  15 o 399.8515 15.12682 3847.691       288.6495 3980.156       409.8116 3717.275       406.6311 405.3843 21.21894 391.5872 21.80632 13.79706       30.42629 
1 1 1 5   -1  16 o 572.3290 11.18575 7854.072       306.0690 7864.175       333.4255 7799.970       771.5601 572.5349 12.18115 564.9036 28.66214 7.631287       31.14320 
1 1 1 5   -1  17 o 71.97211 22.76169 123.7106       87.70463 182.3118       140.0043 85.85997       112.5186 88.00002 28.84475 68.29529 25.56277 19.70473       38.54186 
1 1 1 5   -1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   -1  19 o 54.32716 23.25990 -2.921506      107.6304 115.8715       252.5585 -29.28348      118.9749 93.04051 37.30753 54.13993 23.80063 38.90058       44.25293 
1 1 1 5   -1  20 f 196.2638 14.38637 932.5966       134.0516 966.4751       201.8772 905.8772       179.2829 198.2702 21.64847 192.3306 19.77927 5.939621       29.32364 
1 1 1 5   -1  21 o 454.5166 17.42641 5008.887       377.9730 4847.229       539.1717 5165.102       530.0150 443.5460 25.53403 458.5581 24.26240 -15.01215      35.22287 
1 1 1 5   -1  22 o 161.1484 22.63968 647.5881       169.6200 718.4241       270.4493 601.6577       217.7754 165.6718 35.23029 152.6903 30.89455 12.98152       46.85773 
1 1 1 5   -1  23 o 61.15276 23.47974 64.22733       96.38596 261.4350       156.0664 -57.37452      122.5512 101.1054 30.07328 51.82474 23.37312 49.28070       38.08812 
1 1 1 5   -1  24 o 367.4465 15.16051 3279.981       265.7557 3652.026       384.8942 2941.011       367.3873 384.9841 20.99116 344.6349 22.41920 40.34921       30.71237 
1 1 1 5   -1  25 o 186.6693 20.23576 865.5542       177.7079 1185.018       290.7019 674.9406       224.5505 214.8945 29.03766 160.8049 30.31995 54.08958       41.98196 
1 1 1 5   -1  26 o 206.0270 14.42759 1034.962       141.2123 1390.185       219.7644 785.1520       184.2940 237.1118 19.56017 176.7990 22.29831 60.31273       29.66167 
1 1 1 5   -1  27 o 290.8162 14.57852 2060.840       202.0475 1999.878       299.1727 2111.961       273.9649 282.9130 22.29891 292.1315 19.73166 -9.218475      29.77549 
1 1 1 5   -1  28 o 128.6942 30.05473 442.0788       181.5523 604.6899       305.6469 353.4256       225.6795 145.7376 41.73639 114.6162 36.54383 31.12139       55.47411 
1 1 1 5   -1  29 o 79.35702 25.83669 157.4348       112.4169 206.8472       187.4858 129.6979       140.4687 92.64507 33.26759 77.34910 28.63697 15.29597       43.89543 
1 1 1 5   -1  30 o 134.5494 20.17841 459.0023       125.8028 846.6249       207.4511 233.5432       158.2141 181.4563 24.54163 94.70417 30.63705 86.75208       39.25456 
1 1 1 5   -1  31 o 54.13171 23.62927 -10.64654      115.4364 154.5633       199.8558 -93.35795      141.4105 86.63403 33.66291 52.40617 24.18812 34.22786       41.45187 
1 1 1 5   -1  32 o 180.4738 17.48664 815.7809       148.9906 815.7744       241.1282 815.7849       189.4917 173.1345 30.23041 177.7200 22.82870 -4.585510      37.88175 
1 1 1 5   -1  33 o 149.8379 30.54690 623.9518       211.3956 1110.102       369.3302 387.0796       257.8022 190.7364 41.66986 114.5807 39.16618 76.15566       57.18712 
1 1 1 5   -1  34 o 63.62402 25.61138 66.15240       119.5158 -0.1240485E-02 204.1066 100.6702       147.4353 69.98168 30.95193 72.21655 28.65425 -2.234871      42.17924 
1 1 1 5   -1  35 o 107.8210 28.37136 333.5453       148.1999 969.9763       351.4157 195.8708       163.4452 169.5443 43.22822 85.18386 30.99691 84.36047       53.19293 
1 1 1 5   -1  36 o 178.8414 21.44523 856.8084       179.7086 822.4583       237.4788 902.8374       274.9010 166.0454 31.05644 169.5418 35.07276 -3.496399      46.84657 
1 1 1 5   -1  37 f 51.56026 23.34827 -27.90942      123.7562 -365.8523      216.2210 136.7364       150.9216 49.66403 24.57406 73.67164 29.06678 -24.00761      38.06261 
1 1 1 5   -1  38 o 73.49821 30.65025 138.6913       178.9886 398.4346       236.4039 -210.2150      273.9913 101.7346 37.23841 61.14190 29.70417 40.59270       47.63441 
1 1 1 5   0   0  o 101.2808 6.430270 246.6504       30.97537 223.3004       43.16663 271.4365       44.47421 95.98721 9.532278 106.0066 8.856256 -10.01934      13.01144 
1 1 1 5   0   1  o 375.1351 9.800325 3380.535       175.6162 0.000000       0.000000 3380.535       175.6162 ?        ?        375.1351 9.800325 0.000000       9.800325 
1 1 1 5   0   2  o 272.3992 9.609111 1783.168       124.9444 0.000000       0.000000 1783.168       124.9444 ?        ?        272.3992 9.609111 0.000000       9.609111 
1 1 1 5   0   3  o 319.9621 6.845932 2452.446       104.7224 2381.586       147.4430 2524.582       148.7654 314.8032 9.808599 324.1591 9.609817 -9.355896      13.73161 
1 1 1 5   0   4  o 123.8302 8.518018 369.5457       50.12099 361.0764       70.73872 378.0840       71.02573 121.8532 12.31128 124.7598 12.05793 -2.906578      17.23256 
1 1 1 5   0   5  f 144.6778 7.919815 503.4221       54.57148 517.4207       70.45467 482.4292       86.27922 146.4029 10.12831 140.8911 12.95386 5.511749       16.44339 
1 1 1 5   0   6  o 74.40928 10.14139 135.4745       35.13923 144.7743       49.38496 125.9379       50.00969 76.25743 14.06380 70.83424 15.22103 5.423187       20.72366 
1 1 1 5   0   7  o 196.6527 7.578317 928.6378       71.11601 815.6248       100.1187 1043.727       101.0340 183.7245 11.45529 208.1349 10.18439 -24.41039      15.32793 
1 1 1 5   0   8  o 292.3871 8.821440 2053.616       123.1712 2122.017       145.3951 1879.751       231.8051 296.9681 10.25614 277.7032 17.54934 19.26492       20.32653 
1 1 1 5   0   9  f 391.7406 14.84583 3711.430       277.5396 3740.542       392.6406 3682.360       392.3600 390.9886 21.08298 387.8608 21.24034 3.127838       29.92731 
1 1 1 5   0   10 o 390.5207 9.494294 3658.875       177.2618 3554.079       384.2546 3687.206       199.7907 381.5988 21.14487 391.6977 10.67877 -10.09894      23.68843 
1 1 1 5   0   11 o 169.7871 9.451571 693.2835       76.41873 747.2255       105.3144 633.2963       111.0591 175.8918 12.60735 161.5595 14.53367 14.33234       19.23988 
1 1 1 5   0   12 o 213.6928 10.65924 1097.709       108.5554 1132.140       154.2171 1063.894       152.8334 216.4454 14.99578 209.7334 15.34827 6.711960       21.45794 
1 1 1 5   0   13 o 297.3117 9.654466 2119.955       137.0479 2127.968       250.6620 2116.538       163.6783 296.7240 17.75078 296.8618 11.55470 -0.1378174     21.18021 
1 1 1 5   0   14 o 542.3737 10.48928 7049.399       271.9899 7123.805       296.6918 6657.555       680.8612 545.1085 11.38451 522.6706 27.34230 22.43787       29.61771 
1 1 1 5   0   15 o 336.3282 8.447289 2710.069       135.7204 3030.690       196.1757 2415.732       187.9630 355.3415 11.56297 317.1003 12.42248 38.24121       16.97116 
1 1 1 5   0   16 o 524.0353 10.83057 6582.666       271.3439 6614.342       298.4615 6431.726       651.5078 525.1460 11.88776 513.7728 26.61480 11.37317       29.14903 
1 1 1 5   0   17 o 158.6994 15.45179 611.2265       115.7536 424.1364       218.7036 684.0302       136.4291 129.0726 34.69765 167.6760 17.26525 -38.60332      38.75586 
1 1 1 5   0   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0   19 o 300.9136 13.40611 2180.001       192.3805 1953.626       286.7172 2365.373       259.4553 283.2536 21.32909 312.7249 17.42256 -29.47134      27.54043 
1 1 1 5   0   20 o 213.1289 13.99043 1097.426       141.7665 1182.366       207.5301 1023.111       194.1176 220.1019 19.93796 204.5812 20.10630 15.52066       28.31582 
1 1 1 5   0   21 o 110.8329 24.71463 311.9211       127.6189 420.8464       156.9155 99.10363       219.3335 128.7497 26.38001 86.39736 34.72447 42.35233       43.60841 
1 1 1 5   0   22 o 162.7238 15.68763 645.6790       120.5331 595.5979       181.3419 685.3152       161.3272 153.7314 25.57121 166.5191 20.71077 -12.78778      32.90628 
1 1 1 5   0   23 o 134.3230 21.52857 451.8338       133.5846 671.7588       169.4333 90.55135       217.1625 164.2000 22.14747 84.55593 34.34771 79.64405       40.86900 
1 1 1 5   0   24 o 158.2793 18.43188 618.6887       136.8702 329.7947       272.5509 716.1132       158.2750 115.5395 40.23650 170.0256 19.84371 -54.48615      44.86367 
1 1 1 5   0   25 o 118.4732 21.73254 355.9950       118.5597 318.9846       177.0998 386.0525       159.6000 110.3248 31.82446 121.6806 28.01473 -11.35581      42.39837 
1 1 1 5   0   26 o 330.2616 14.83805 2653.583       233.6860 2794.383       340.8721 2528.732       320.9874 335.8474 21.33994 319.5350 21.13032 16.31235       30.03137 
1 1 1 5   0   27 o 228.9574 16.32169 1284.955       177.4887 1129.143       314.8785 1357.516       214.8780 206.9220 32.93196 234.2049 19.36343 -27.28297      38.20284 
1 1 1 5   0   28 o 102.4108 24.02245 272.5080       115.5729 254.7949       189.0081 283.0859       146.0606 100.0327 33.54008 103.6237 28.56502 -3.591026      44.05562 
1 1 1 5   0   29 o 265.0091 14.78763 1717.921       186.6130 1922.698       283.6371 1561.622       247.7997 276.9318 21.59365 249.7785 20.94360 27.15337       30.08189 
1 1 1 5   0   30 o 85.87675 26.44953 190.6485       119.2590 377.7864       202.2295 90.86569       147.6697 117.2613 34.06195 72.73888 28.73537 44.52245       44.56386 
1 1 1 5   0   31 o 141.0112 20.69000 505.4072       135.3368 521.1171       219.9653 495.8376       171.6774 137.2713 33.75621 136.8777 27.19316 0.3936462      43.34685 
1 1 1 5   0   32 o 217.3770 18.46523 1182.275       190.0864 1176.808       263.7456 1188.185       274.2050 211.9732 26.61020 212.2757 27.67731 -0.3025360     38.39448 
1 1 1 5   0   33 o 224.4030 16.38635 1254.404       174.5884 1054.480       271.9683 1394.541       227.6988 196.8297 29.83560 234.0249 20.55998 -37.19524      36.23362 
1 1 1 5   0   34 o 91.18436 31.31073 224.3970       164.8058 414.6195       214.9859 -46.70330      256.6516 118.5477 35.30504 74.03334 33.56419 44.51434       48.71346 
1 1 1 5   0   35 o 85.14587 27.47394 198.2893       127.2825 119.6735       217.8682 239.0254       156.8298 81.30375 33.85341 92.27309 30.54230 -10.96935      45.59480 
1 1 1 5   0   36 o 142.8381 33.28864 625.5369       223.1018 862.1718       389.5561 510.0396       272.1551 147.7631 48.09481 121.5097 40.23477 26.25340       62.70525 
1 1 1 5   0   37 o 80.65923 28.42260 186.1102       136.2544 417.9952       238.2183 73.36256       166.1087 109.8768 37.64664 68.31448 29.06149 41.56233       47.55880 
1 1 1 5   0   38 o 141.4042 29.74004 624.1859       194.6690 484.3138       259.7191 803.5144       294.0784 111.1758 39.23538 144.3904 40.80344 -33.21456      56.60685 
1 1 1 5   1   0  o 294.0989 6.762929 2071.274       95.09038 2045.421       134.2005 2097.342       134.7574 291.8341 9.631750 295.5304 9.550205 -3.696228      13.56381 
1 1 1 5   1   1  o 101.2491 6.553918 246.4749       31.55446 0.000000       0.000000 246.4749       31.55446 ?        ?        101.2491 6.553918 0.000000       6.553918 
1 1 1 5   1   2  o 89.95897 9.915351 196.4942       41.93778 0.000000       0.000000 196.4942       41.93778 ?        ?        89.95897 9.915351 0.000000       9.915351 
1 1 1 5   1   3  o 331.2855 6.923594 2628.363       109.6585 2636.808       154.3867 2619.763       155.7839 331.3744 9.755638 330.2821 9.876823 1.092316       13.88251 
1 1 1 5   1   4  o 207.7194 6.913198 1034.535       68.55812 1043.704       95.90598 1024.954       98.04091 208.3416 9.654813 206.4182 9.964042 1.923370       13.87435 
1 1 1 5   1   5  o 386.6197 8.890490 3585.322       164.3305 3294.366       363.0487 3660.295       184.2903 367.2733 20.76056 390.3612 9.882730 -23.08798      22.99281 
1 1 1 5   1   6  o 145.4642 9.091754 509.7762       62.91223 533.0674       88.76184 486.2637       89.18230 148.2384 12.64503 141.4100 13.34937 6.828384       18.38756 
1 1 1 5   1   7  o 349.3360 13.60434 2949.040       226.7766 2891.949       320.4407 3006.323       320.9810 343.9567 19.56730 350.8518 19.20911 -6.895111      27.42023 
1 1 1 5   1   8  o 175.1003 8.906701 737.9201       74.31614 765.4375       115.2971 718.3622       97.20224 177.5389 13.68929 172.3015 11.87250 5.237411       18.12051 
1 1 1 5   1   9  o 444.8651 9.652709 4753.580       205.2986 4506.264       477.0587 4809.792       227.4359 427.5724 23.42698 447.2582 10.63634 -19.68579      25.72849 
1 1 1 5   1   10 o 157.4140 9.816185 597.2795       73.50681 575.9210       103.9960 618.6039       103.9127 153.8396 14.30356 159.5869 13.75361 -5.747284      19.84322 
1 1 1 5   1   11 o 247.9936 9.466215 1477.485       112.0281 1497.746       139.7014 1440.981       187.5127 249.3576 11.75150 243.7407 16.18306 5.616852       19.99973 
1 1 1 5   1   12 o 231.1002 9.475235 1282.495       104.4664 1409.624       134.9738 1092.564       164.9777 242.0236 11.69961 212.2576 16.38422 29.76599       20.13265 
1 1 1 5   1   13 o 565.8638 19.94160 7744.604       538.6428 8227.410       762.0543 7262.553       761.4579 580.2157 27.55056 544.2371 29.37391 35.97864       40.27233 
1 1 1 5   1   14 o 597.1521 20.90453 8621.620       595.8861 8258.646       842.3707 8985.180       843.0501 580.7575 30.44524 606.4134 29.16428 -25.65588      42.16003 
1 1 1 5   1   15 o 431.1906 16.08715 4476.439       331.0508 4481.140       468.1397 4471.737       468.2134 429.8589 22.86156 429.3988 22.89005 0.4601135      32.35128 
1 1 1 5   1   16 o 615.8385 11.26201 9092.519       331.5822 9080.745       357.1830 9165.929       891.9060 615.2936 12.14228 611.9279 30.58364 3.365723       32.90583 
1 1 1 5   1   17 o 295.7736 12.89408 2103.568       181.8918 2385.127       268.0806 1863.376       247.6055 314.1564 17.92326 277.3954 18.78110 36.76108       25.96099 
1 1 1 5   1   18 o 426.9583 14.88231 4387.564       303.3191 0.000000       0.000000 4387.564       303.3191 ?        ?        426.9583 14.88231 0.000000       14.88231 
1 1 1 5   1   19 o 228.1354 13.83469 1255.233       150.1842 1360.875       218.6348 1160.850       206.6561 236.5802 19.50310 218.2740 20.02630 18.30623       27.95395 
1 1 1 5   1   20 o 99.47645 22.14832 249.3168       102.6273 254.5044       156.9030 245.4381       135.6741 101.0643 30.17629 98.75056 27.64781 2.313705       40.92689 
1 1 1 5   1   21 o 80.54797 24.14629 160.1969       100.3099 14.78996       155.9158 262.8872       131.0275 67.00219 28.31413 101.7277 26.63329 -34.72549      38.87186 
1 1 1 5   1   22 o 230.0242 13.85630 1279.557       151.6739 1372.127       225.2782 1202.803       205.1329 236.7690 20.09103 221.7153 19.55238 15.05370       28.03471 
1 1 1 5   1   23 o 92.56641 23.76930 218.3233       105.7283 98.14608       162.9532 305.6973       138.9450 77.61067 30.32804 109.0912 26.82988 -31.48056      40.49238 
1 1 1 5   1   24 o 59.29514 25.38240 1.929210       128.1278 -64.99187      158.5938 127.6985       217.4163 59.43627 26.71606 88.21338 34.86136 -28.77711      43.92109 
1 1 1 5   1   25 o 428.8178 16.82008 4482.533       344.1646 4684.833       493.1309 4290.418       480.5570 434.2037 23.84685 415.1589 24.31801 19.04477       34.05933 
1 1 1 5   1   26 o 67.27202 26.13737 76.89872       120.4784 -336.3811      292.5915 161.2760       132.2063 67.67905 32.31496 82.29492 28.04936 -14.61588      42.79046 
1 1 1 5   1   27 o 364.4852 15.22975 3236.445       264.8031 3956.361       386.7382 2601.030       363.3329 400.2123 20.27851 322.3316 23.74392 77.88074       31.22486 
1 1 1 5   1   28 o 122.8292 21.99123 384.9162       124.3972 25.21514       198.9334 615.8828       159.4085 74.19190 31.69003 156.1155 21.96430 -81.92364      38.55760 
1 1 1 5   1   29 o 111.8880 29.10347 333.7144       157.1326 455.9181       205.8063 162.9139       243.3105 129.4453 33.12269 92.85387 36.82069 36.59144       49.52652 
1 1 1 5   1   30 o 99.60564 28.29456 263.5766       141.0362 189.8208       340.7234 278.8269       154.9325 103.3506 42.62020 102.1953 29.85069 1.155273       52.03407 
1 1 1 5   1   31 o 80.39569 33.12177 89.03965       205.5128 571.0157       353.2085 -157.6440      252.6903 138.6369 45.83355 68.91759 31.99168 69.71932       55.89438 
1 1 1 5   1   32 o 231.7459 16.18056 1327.384       178.1463 1626.920       280.7335 1125.450       230.5023 252.2471 23.55095 209.5721 23.40469 42.67505       33.20281 
1 1 1 5   1   33 o 40.37422 19.99960 -312.1707      144.6818 -781.9878      233.5092 -19.42001      184.3268 43.32202 21.97193 66.12254 29.32092 -22.80052      36.63990 
1 1 1 5   1   34 o 196.7821 19.22414 985.3096       178.5553 1524.597       387.6638 840.0953       201.1638 229.0014 36.64351 178.4997 24.19475 50.50169       43.91050 
1 1 1 5   1   35 o 129.4015 23.17795 446.3058       138.1250 600.8168       238.3106 368.1416       169.4992 141.8602 35.28420 113.3170 30.58262 28.54318       46.69338 
1 1 1 5   1   36 o 160.6525 19.87118 676.3190       149.3724 895.5128       255.3893 562.3480       184.1559 174.3604 31.80868 140.1211 28.46227 34.23929       42.68364 
1 1 1 5   1   37 o 115.8852 29.99905 407.8799       167.4883 548.4145       431.7212 382.9806       181.7210 113.8323 47.54594 110.2130 32.36608 3.619263       57.51677 
1 1 1 5   1   38 o 84.56267 29.68376 219.4863       148.5130 -383.5916      276.7016 463.5170       176.0140 56.67976 28.00035 121.3001 30.41165 -64.62032      41.33870 
1 1 1 5   1   39 o 55.99477 25.25450 2.267016       143.0854 -241.2103      271.6678 95.73821       168.3247 59.00901 28.86669 67.55332 29.00836 -8.544312      40.92396 
1 1 1 5   2   0  o 102.8444 6.709827 254.3208       32.81123 250.3940       46.06962 258.3630       46.74186 101.7313 9.585189 103.3536 9.568188 -1.622284      13.54349 
1 1 1 5   2   1  o 157.7599 5.450544 596.2679       41.04801 582.4576       70.60032 603.3204       50.45183 155.5583 9.538900 158.6040 6.668445 -3.045624      11.63868 
1 1 1 5   2   2  o 241.9964 8.046927 1404.604       92.97003 0.000000       0.000000 1404.604       92.97003 ?        ?        241.9964 8.046927 0.000000       8.046927 
1 1 1 5   2   3  o 338.5826 6.952287 2745.063       112.5384 2757.012       158.6859 2732.972       159.6250 338.8916 9.804509 337.3947 9.906604 1.496918       13.93805 
1 1 1 5   2   4  o 348.5277 13.43358 2927.316       223.4208 2832.819       315.6926 3022.140       316.2377 341.3462 19.42483 352.7815 18.81801 -11.43533      27.04518 
1 1 1 5   2   5  o 251.0605 6.983817 1510.784       83.74474 1464.459       117.8402 1558.053       119.0347 246.8271 10.00676 254.6336 9.796259 -7.806473      14.00364 
1 1 1 5   2   6  o 81.89266 8.866267 162.7182       34.16015 171.9579       47.43357 152.7629       49.23635 83.68434 12.21591 78.52912 13.60712 5.155220       18.28612 
1 1 1 5   2   7  o 299.5676 7.286930 2150.787       104.3633 2094.122       145.2664 2211.231       150.0330 295.0337 10.31463 303.1710 10.36645 -8.137360      14.62378 
1 1 1 5   2   8  o 143.4443 8.962072 495.8074       61.15398 550.5003       83.71888 433.2384       89.54430 150.7765 11.70563 133.1848 14.28589 17.59164       18.46912 
1 1 1 5   2   9  o 367.1225 14.17118 3260.887       248.2613 3228.276       350.4669 3293.733       351.7255 363.0165 20.27408 366.7482 20.13712 -3.731689      28.57520 
1 1 1 5   2   10 o 241.4372 8.036317 1399.531       92.63261 1617.062       129.8883 1174.374       132.1454 259.1567 10.50511 220.4127 12.59268 38.74400       16.39917 
1 1 1 5   2   11 o 122.4864 11.10243 363.4866       64.30968 388.2810       89.64776 337.2001       92.30573 125.9265 15.19764 116.8530 17.02264 9.073563       22.81970 
1 1 1 5   2   12 o 120.6427 11.11109 352.3781       63.36698 323.3177       82.32543 394.6242       99.26066 114.8177 15.38421 126.7780 16.78895 -11.96027      22.77153 
1 1 1 5   2   13 o 110.4999 11.07032 295.8184       57.69640 287.2688       81.40247 304.4492       81.78896 108.0355 16.26415 111.3682 15.80453 -3.332634      22.67831 
1 1 1 5   2   14 o 261.8551 10.30772 1645.882       128.7902 1733.751       212.5646 1594.916       161.8881 267.8893 16.67966 257.4193 13.19830 10.47000       21.26984 
1 1 1 5   2   15 o 305.4286 12.85890 2242.290       187.3480 2224.761       264.8795 2259.837       265.0208 303.3680 18.34870 305.7838 18.21078 -2.415802      25.85164 
1 1 1 5   2   16 o 209.5441 11.10583 1055.507       110.8615 1131.176       155.5557 977.4036       158.0375 216.4470 15.12755 200.9028 16.60186 15.54427       22.46029 
1 1 1 5   2   17 o 224.7592 12.19662 1215.392       130.5675 1505.561       200.8611 1003.060       171.8218 249.5469 16.93620 203.3064 17.85870 46.24048       24.61236 
1 1 1 5   2   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   2   19 o 267.2531 15.06759 1723.187       191.7399 1676.808       286.6788 1760.726       257.9180 261.9897 23.12490 269.1873 20.18804 -7.197632      30.69720 
1 1 1 5   2   20 f 166.8246 16.50190 677.0167       129.8916 368.8456       182.9525 990.2383       184.4456 120.2701 31.46303 201.5129 19.38392 -81.24277      36.95481 
1 1 1 5   2   21 o 465.7334 17.72700 5248.010       393.9920 5380.748       558.3420 5116.364       556.0428 468.8399 25.00002 456.9037 25.55698 11.93622       35.75137 
1 1 1 5   2   22 o 380.9628 15.46762 3508.528       281.1320 4006.837       404.0436 3040.875       391.4183 405.3232 20.92139 352.0602 23.38757 53.26309       31.37966 
1 1 1 5   2   23 o 300.3402 14.03428 2180.846       200.9599 2347.841       303.7775 2050.894       267.9775 309.6671 20.63657 289.7235 19.45953 19.94363       28.36444 
1 1 1 5   2   24 o 344.5808 15.09949 2878.873       248.1453 2915.700       359.5930 2845.393       342.8652 344.1020 21.97308 340.2637 21.18158 3.838226       30.52008 
1 1 1 5   2   25 o 308.9563 14.64041 2317.463       215.6360 2443.006       315.8477 2207.860       295.1175 314.6578 21.11800 299.2257 20.75814 15.43216       29.61200 
1 1 1 5   2   26 o 131.8569 19.51572 435.0539       119.3156 454.2647       191.2017 422.8018       152.6945 131.1032 30.99647 127.9836 25.84634 3.119537       40.35857 
1 1 1 5   2   27 o 142.8940 23.43290 519.5361       154.5403 787.4722       200.5208 127.5790       242.5285 176.1649 24.46808 90.23666 36.42738 85.92829       43.88212 
1 1 1 5   2   28 o 170.7192 17.31981 720.4063       139.4081 856.1055       218.7987 627.6697       180.8763 182.8949 25.73335 156.4571 25.02408 26.43787       35.89444 
1 1 1 5   2   29 o 70.80032 26.44003 102.7842       120.2346 -152.9489      197.4532 253.4876       151.5767 60.17269 28.04937 98.29971 29.72994 -38.12702      40.87342 
1 1 1 5   2   30 o 94.57674 34.85373 211.1729       207.6597 545.9066       345.9732 22.67042       259.6279 136.7746 45.36698 82.00622 35.62135 54.76836       57.68053 
1 1 1 5   2   31 o 186.2112 17.73883 863.0048       156.0151 650.1117       246.9337 1004.451       201.2777 153.1991 34.54187 199.2641 21.46625 -46.06502      40.66867 
1 1 1 5   2   32 o 89.88420 28.04426 211.8100       133.5812 233.7534       222.8434 199.5027       166.8890 97.66768 36.08558 89.51072 31.46301 8.156960       47.87577 
1 1 1 5   2   33 o 136.7931 23.61658 490.3888       148.8694 692.0292       251.8660 382.1190       184.5587 156.0846 34.65536 116.7110 32.08485 39.37364       47.22745 
1 1 1 5   2   34 o 114.9739 25.80376 358.4817       138.3464 529.0881       250.6523 283.7370       165.9068 132.6728 37.73092 100.6921 31.22806 31.98074       48.97769 
1 1 1 5   2   35 o 207.4173 24.49952 1141.045       238.2633 864.4547       438.6530 1256.800       283.7744 153.5557 51.08794 214.3350 28.39064 -60.77937      58.44661 
1 1 1 5   2   36 o 54.64003 24.45133 -23.31261      131.2378 120.6773       253.5248 -76.02061      153.3885 83.34095 35.69064 54.54162 25.18015 28.79933       43.67907 
1 1 1 5   2   37 o 53.93282 24.39505 -29.40615      134.6474 106.9091       263.1702 -77.74273      156.7121 80.50703 35.39478 54.15674 25.15820 26.35030       43.42494 
1 1 1 5   2   38 o 56.56699 25.21329 0.9941015E-01  138.0898 298.3173       266.3531 -109.5224      161.4877 94.01706 38.09488 52.21082 24.65991 41.80624       45.37986 
1 1 1 5   2   39 o 71.78008 28.29169 144.5943       142.8500 372.9404       267.9340 53.90865       168.8497 95.93792 38.44106 63.99843 28.23559 31.93949       47.69658 
1 1 1 5   3   0  o 43.38564 7.967002 46.51885       15.91651 46.21627       22.62066 46.81556       22.39964 43.05511 10.96214 43.31934 10.84224 -0.2642326     15.41826 
1 1 1 5   3   1  o 192.5914 7.624732 889.8443       70.06654 818.5731       121.4538 925.3964       85.78013 183.9104 13.91655 196.2527 9.167788 -12.34230      16.66489 
1 1 1 5   3   2  o 185.0587 6.797359 821.0643       60.03708 0.000000       0.000000 821.0643       60.03708 ?        ?        185.0587 6.797359 0.000000       6.797359 
1 1 1 5   3   3  o 306.5016 8.455936 2253.015       123.7906 2127.455       248.6533 2294.389       142.7365 296.1998 17.63894 309.1509 9.669201 -12.95105      20.11531 
1 1 1 5   3   4  o 399.2105 7.141359 3816.721       136.2985 3948.903       192.3631 3683.456       193.1498 405.7144 9.917288 391.6481 10.32449 14.06635       14.31600 
1 1 1 5   3   5  o 257.7152 11.21361 1598.376       137.8329 1625.358       194.5936 1571.210       195.2584 259.0407 15.78772 254.6013 16.12418 4.439468       22.56638 
1 1 1 5   3   6  o 95.02387 8.601051 218.2744       38.65172 193.2806       53.64899 245.2489       55.73418 88.67749 13.04373 100.3084 11.85041 -11.63090      17.62302 
1 1 1 5   3   7  o 286.4896 8.742226 1970.948       119.5999 1978.504       139.7894 1950.308       231.0288 286.8019 10.21122 283.1612 17.14604 3.640686       19.95635 
1 1 1 5   3   8  o 180.4198 8.650770 782.8724       74.40123 773.5786       94.86275 797.7266       119.9291 178.9851 11.14113 181.2592 13.94652 -2.274124      17.85021 
1 1 1 5   3   9  o 348.6410 9.646238 2922.289       160.6302 3108.905       328.9457 2863.856       184.0684 356.5701 19.36888 344.7965 11.18105 11.77365       22.36447 
1 1 1 5   3   10 o 193.8657 8.815425 903.8386       81.49193 863.1760       113.2083 947.5681       117.4000 188.8466 12.61120 197.9276 12.47000 -9.080917      17.73537 
1 1 1 5   3   11 o 184.1384 10.16087 816.7501       89.10388 772.5228       123.9138 864.1049       128.2203 178.3205 14.66429 188.7272 14.31748 -10.40665      20.49467 
1 1 1 5   3   12 o 113.7748 12.46792 314.8892       66.70913 263.1665       88.65290 382.4035       101.2862 102.7102 18.74436 124.6013 17.48310 -21.89112      25.63220 
1 1 1 5   3   13 o 101.2589 12.68791 250.0854       60.07834 279.7403       74.00008 192.7427       102.9020 106.8140 14.89551 87.62409 23.90508 19.18987       28.16610 
1 1 1 5   3   14 o 281.5863 12.23146 1906.111       164.2711 1961.022       231.7887 1850.699       232.8436 284.8676 17.09796 276.6007 17.70059 8.266815       24.60998 
1 1 1 5   3   15 o 274.1140 9.936497 1802.565       130.0031 2017.663       163.9967 1438.818       213.2637 289.8177 11.86098 243.7069 18.44062 46.11075       21.92577 
1 1 1 5   3   16 o 157.9603 10.90618 600.8993       81.85678 606.4624       117.6664 595.6821       113.9490 158.0582 15.78216 156.6897 15.41032 1.368546       22.05798 
1 1 1 5   3   17 o 131.9288 16.83609 425.5104       103.7751 281.0964       142.3130 589.5002       151.6521 105.5757 27.81245 154.8561 21.02654 -49.28040      34.86614 
1 1 1 5   3   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   3   19 o 101.7656 22.42130 260.4803       106.1372 216.3304       153.1849 301.2454       147.1956 94.67416 30.09872 109.0713 28.06579 -14.39715      41.15364 
1 1 1 5   3   20 o 130.8808 22.45160 426.7154       135.4298 527.8612       262.5219 390.0355       158.0904 143.0653 37.81527 124.0512 27.38938 19.01416       46.69231 
1 1 1 5   3   21 o 377.9625 15.61624 3448.408       281.5770 3761.120       401.7889 3146.594       394.7250 393.0907 21.46087 358.9160 23.12657 34.17474       31.55008 
1 1 1 5   3   22 o 329.0431 15.03405 2616.591       235.8784 2769.995       335.5459 2466.726       331.6530 336.8774 20.93745 317.4898 21.98550 19.38763       30.36016 
1 1 1 5   3   23 o 270.8467 14.73081 1776.203       190.0294 1874.479       272.2453 1682.826       265.3709 276.5653 20.74099 261.7597 21.39158 14.80563       29.79578 
1 1 1 5   3   24 o 234.5540 15.09636 1336.437       168.3880 1349.364       243.7634 1324.639       232.8821 233.5995 22.08906 231.7151 21.25866 1.884399       30.65709 
1 1 1 5   3   25 o 180.2129 19.21568 802.3804       163.0071 928.0381       305.3042 752.2766       192.7853 187.4448 35.36468 172.8896 23.96745 14.55511       42.72118 
1 1 1 5   3   26 o 261.7502 15.93320 1672.516       198.4433 1756.641       330.2177 1624.961       248.2748 263.5487 26.57017 256.2850 20.43192 7.263672       33.51772 
1 1 1 5   3   27 o 62.66465 26.09922 31.04176       129.5410 29.72672       310.4415 31.31901       142.5442 90.38625 39.10749 65.23589 27.28939 25.15036       47.68760 
1 1 1 5   3   28 o 208.4189 21.36514 1086.574       209.8779 765.7534       337.5842 1288.703       267.9573 164.2862 42.62088 225.2257 25.32335 -60.93951      49.57632 
1 1 1 5   3   29 o 81.80532 28.64058 158.3322       138.1990 48.56608       330.7827 181.5437       152.1108 93.06748 40.31782 86.64539 30.06585 6.422089       50.29395 
1 1 1 5   3   30 o 110.2947 25.01120 319.4791       128.8382 359.7417       213.3860 296.3810       161.6234 114.6727 35.39062 105.1506 30.42338 9.522125       46.66988 
1 1 1 5   3   31 o 172.8602 22.92883 764.4422       184.8208 637.6841       245.2765 930.9649       281.1286 151.5935 34.60683 185.1160 32.97439 -33.52254      47.80108 
1 1 1 5   3   32 o 87.35336 28.34510 197.0299       135.3669 152.0820       222.8390 223.3164       170.4129 88.53539 35.19584 93.22364 31.84393 -4.688255      47.46349 
1 1 1 5   3   33 o 131.0154 25.11333 454.7150       151.5793 -167.4883      248.7378 822.2738       191.1785 66.91400 31.28722 178.4422 22.93959 -111.5282      38.79581 
1 1 1 5   3   34 f 141.3938 23.17014 525.8663       151.2070 649.6753       253.0385 457.1010       188.5797 148.7746 35.97433 127.1588 31.24687 21.61571       47.64997 
1 1 1 5   3   35 o 130.6443 28.43699 475.4450       172.5631 595.3666       414.1459 450.2506       189.8266 130.6239 49.01133 124.9912 31.71902 5.632660       58.37984 
1 1 1 5   3   36 o 100.6296 31.54171 297.8384       168.7759 10.57397       415.4896 354.6059       184.7008 89.58627 41.38861 108.7147 32.80467 -19.12843      52.81253 
1 1 1 5   3   37 o 70.34721 30.54745 60.61513       190.8098 -207.9069      256.4505 393.6181       285.5865 62.10377 29.81275 106.0612 40.49245 -43.95743      50.28358 
1 1 1 5   3   38 o 43.31950 20.94512 -164.3414      132.0842 -181.0607      249.0924 -157.8014      155.7902 61.30459 29.41675 48.40425 23.23638 12.90034       37.48699 
1 1 1 5   3   39 o 60.72991 26.32304 51.22681       141.1549 237.8475       257.6998 -28.76468      168.7159 84.63713 36.10754 57.50325 26.49748 27.13388       44.78695 
1 1 1 5   4   0  o 251.5201 6.794990 1516.094       81.63415 1543.447       115.2458 1488.548       115.6516 253.4723 9.527077 248.8895 9.738129 4.582870       13.62337 
1 1 1 5   4   1  o 160.1877 8.998236 617.1902       68.63496 658.6331       97.05418 575.7297       97.07481 165.0553 12.38961 154.1154 13.30521 10.93994       18.18052 
1 1 1 5   4   2  o 107.8637 7.405365 279.9912       37.95658 0.000000       0.000000 279.9912       37.95658 ?        ?        107.8637 7.405365 0.000000       7.405365 
1 1 1 5   4   3  o 237.7357 6.166090 1353.877       70.02383 1414.540       110.2598 1312.871       90.65206 242.6599 9.522584 233.9238 8.118085 8.736084       12.51331 
1 1 1 5   4   4  o 338.1113 7.069608 2738.046       114.2782 2678.434       160.6789 2799.065       162.5651 333.9265 10.07620 341.3870 9.970974 -7.460449      14.17569 
1 1 1 5   4   5  o 105.3316 8.513443 267.7237       42.50681 231.8604       59.58182 304.8968       60.66009 97.27928 13.14730 112.0565 11.48525 -14.77719      17.45745 
1 1 1 5   4   6  o 396.7037 7.274057 3770.866       137.9594 3737.894       193.5614 3804.910       196.6842 394.3690 10.27490 397.8756 10.34862 -3.506561      14.58313 
1 1 1 5   4   7  o 127.4491 9.078032 391.8208       54.95209 419.3262       76.71918 362.8410       78.74853 131.3828 12.35914 121.8822 13.75427 9.500671       18.49130 
1 1 1 5   4   8  o 397.0881 9.712090 3787.749       184.3775 3957.724       407.2888 3743.937       206.7788 401.6595 21.28577 394.3678 10.97789 7.291687       23.94991 
1 1 1 5   4   9  o 200.6824 10.26372 970.5662       98.14713 1048.506       138.1966 891.2477       139.4134 207.9047 13.98487 191.3039 15.37236 16.60080       20.78187 
1 1 1 5   4   10 o 449.2733 10.05754 4849.724       216.0284 5027.761       505.5271 4809.948       238.9445 451.7948 23.48488 447.1597 11.17702 4.635040       26.00895 
1 1 1 5   4   11 o 133.7194 10.34647 431.9835       65.63049 354.4452       85.93200 540.5281       101.6718 120.2123 15.29800 149.0071 14.45334 -28.79473      21.04585 
1 1 1 5   4   12 o 80.13995 15.01016 159.7094       55.39704 173.4929       90.80649 151.5388       69.91412 83.03512 22.37365 77.59097 19.00122 5.444145       29.35347 
1 1 1 5   4   13 o 442.6501 10.23452 4698.365       216.5889 4690.092       241.5852 4732.248       488.9378 441.9429 11.44357 440.8187 23.28241 1.124176       25.94274 
1 1 1 5   4   14 o 589.0226 10.74126 8317.524       302.4793 8243.758       811.8676 8329.415       325.9464 580.3331 29.35706 589.3077 11.56900 -8.974670      31.55437 
1 1 1 5   4   15 o 331.0242 13.48453 2634.648       212.9579 2727.037       300.0061 2540.815       302.3436 335.8898 18.75656 324.0135 19.60952 11.87625       27.13562 
1 1 1 5   4   16 o 768.8588 26.38749 14373.56       968.5208 14607.02       1369.146 14139.72       1370.245 768.6175 37.37100 755.7399 38.04668 12.87756       53.33049 
1 1 1 5   4   17 o 250.1536 13.66218 1506.965       162.7734 1334.150       213.8010 1745.248       251.0531 234.4404 19.24444 268.2537 19.71311 -33.81329      27.54915 
1 1 1 5   4   18 o 130.7445 24.70084 427.9852       148.7419 427.9852       148.7419 0.000000       0.000000 130.7445 24.70084 ?        ?        0.000000       24.70084 
1 1 1 5   4   19 f 513.9716 10.52313 6333.632       258.5785 6433.811       357.6993 6223.980       374.2310 517.1329 14.48223 508.4071 15.41422 8.725769       21.15026 
1 1 1 5   4   20 o 237.3411 14.26043 1359.407       161.0668 1300.314       224.9993 1421.518       230.6723 230.9108 20.59714 241.6090 20.15319 -10.69821      28.81654 
1 1 1 5   4   21 o 70.43800 26.66526 88.98347       123.2004 -87.63015      250.3355 145.4317       141.5258 75.79890 33.85563 81.87184 28.95672 -6.072945      44.54992 
1 1 1 5   4   22 o 84.36944 25.00908 177.1550       108.0785 262.4749       158.1390 102.3731       148.0513 102.0505 30.25190 76.20103 29.13950 25.84945       42.00343 
1 1 1 5   4   23 o 285.8911 14.36440 1977.279       195.7055 2233.614       280.6887 1734.777       273.0097 302.4273 19.51734 265.6903 21.68120 36.73706       29.17192 
1 1 1 5   4   24 o 101.2409 27.31700 263.4680       135.2527 275.4135       271.1772 259.5124       156.0478 109.8538 39.93331 100.8870 30.08688 8.966797       49.99890 
1 1 1 5   4   25 o 282.8173 14.95154 1943.732       201.4440 2026.624       285.1605 1861.159       284.6100 286.5831 20.95769 274.1830 21.89382 12.40009       30.30783 
1 1 1 5   4   26 o 381.6505 16.22129 3551.999       295.3031 3747.772       418.2947 3357.482       416.9517 388.4708 22.62031 366.8202 23.90543 21.65063       32.91121 
1 1 1 5   4   27 o 190.7367 16.91654 894.8412       152.6622 845.4913       218.5406 941.8734       213.3469 182.0255 25.83767 193.2543 23.57895 -11.22887      34.97931 
1 1 1 5   4   28 o 162.9635 18.93842 661.2497       144.8059 682.7957       209.0484 641.3753       200.7751 162.0288 27.99879 157.0344 27.75784 4.994431       39.42626 
1 1 1 5   4   29 o 169.7964 22.05508 728.9581       174.8116 718.4142       219.6137 747.1921       288.8008 165.5221 28.79729 164.1847 37.60300 1.337463       47.36317 
1 1 1 5   4   30 o 139.2127 26.58977 508.8197       170.5194 591.7546       216.1542 372.1587       277.4708 147.9890 31.51747 117.0727 40.60805 30.91631       51.40393 
1 1 1 5   4   31 o 51.71424 23.39606 -54.11421      123.9164 -107.4216      200.9953 -21.42954      157.3854 63.28878 29.07511 61.88567 27.28360 1.403118       39.87175 
1 1 1 5   4   32 o 196.5109 17.69248 961.9708       164.4423 717.4651       253.5438 1139.500       216.0444 160.9563 34.01506 211.9801 21.62001 -51.02377      40.30445 
1 1 1 5   4   33 o 103.9645 27.39187 292.9617       138.0288 284.1425       226.7635 298.1523       173.9696 102.9100 36.62832 103.9799 31.93102 -1.069931      48.59243 
1 1 1 5   4   34 f 65.51225 28.81858 -3.272677      174.6895 -168.1063      221.6985 266.6741       283.7127 61.93093 29.14095 101.8310 39.95128 -39.90011      49.44997 
1 1 1 5   4   35 o 100.9755 28.84720 286.6843       146.1877 72.38785       236.8517 418.5580       185.8010 79.70047 34.31966 120.3036 31.82004 -40.60312      46.80122 
1 1 1 5   4   36 o 194.4942 22.05079 999.0477       201.4264 908.8646       420.4457 1025.912       229.4746 153.9619 49.95443 194.3263 25.29998 -40.36435      55.99584 
1 1 1 5   4   37 o 105.2186 38.22938 375.0500       248.4867 537.3731       420.4486 287.9196       308.0406 114.3540 47.26941 96.58823 40.23872 17.76575       62.07698 
1 1 1 5   4   38 o 76.98573 29.59048 162.5914       153.1975 -454.1789      258.8010 495.2914       190.0774 52.73213 26.22761 124.9349 31.75906 -72.20279      41.18890 
1 1 1 5   4   39 o 73.65401 29.27639 154.0516       154.1673 409.8006       267.4609 26.79992       188.6623 99.93577 38.91122 64.02976 28.92750 35.90601       48.48590 
1 1 1 5   5   0  f 180.4186 7.724262 781.6840       66.47225 796.4800       82.05956 753.4459       113.3638 181.9142 9.467851 176.2782 13.55542 5.635986       16.53450 
1 1 1 5   5   1  o 85.06957 7.585409 174.7988       30.52718 162.4242       40.58893 190.9151       46.32054 81.54332 10.66694 88.42870 11.20789 -6.885384      15.47257 
1 1 1 5   5   2  o 413.5069 6.771483 4095.485       133.8674 4155.060       425.6421 4088.946       141.0237 412.2102 21.67436 413.1308 7.139963 -0.9206543     22.82010 
1 1 1 5   5   3  o 339.6832 8.642848 2768.948       140.2447 0.000000       0.000000 2768.948       140.2447 ?        ?        339.6832 8.642848 0.000000       8.642848 
1 1 1 5   5   4  o 330.3107 8.751937 2618.896       138.0869 2641.753       157.4067 2542.550       287.6736 331.5521 9.941544 323.0867 18.70394 8.465363       21.18187 
1 1 1 5   5   5  o 118.9600 8.318318 341.0424       47.01099 343.7299       63.09814 337.6892       70.47980 119.0385 11.21949 117.7320 12.72355 1.306450       16.96366 
1 1 1 5   5   6  o 155.5184 9.311672 582.7007       68.91667 640.3782       97.03239 523.9880       97.89917 162.5589 12.58316 146.6671 14.13663 15.89183       18.92565 
1 1 1 5   5   7  o 108.2120 9.500438 283.3595       48.65207 326.1704       66.42727 233.8208       71.45650 115.7412 12.18737 97.04296 15.95577 18.69826       20.07781 
1 1 1 5   5   8  o 169.6619 9.094690 693.0696       73.50053 742.6776       111.3690 654.7881       97.83250 174.9298 13.41903 164.3539 12.54554 10.57591       18.37011 
1 1 1 5   5   9  o 287.3892 8.784010 1983.962       120.5484 1991.405       140.7124 1963.430       233.7052 287.6767 10.24740 283.9234 17.29916 3.753357       20.10647 
1 1 1 5   5   10 o 354.4634 9.930284 3019.583       168.1176 3139.257       335.7771 2979.546       194.2139 358.6658 19.65696 351.7693 11.56391 6.896454       22.80614 
1 1 1 5   5   11 o 398.7973 9.837340 3816.506       187.5592 3746.551       399.6040 3836.271       212.4099 391.7506 21.41741 399.4593 11.13314 -7.708710      24.13819 
1 1 1 5   5   12 o 227.4790 10.94330 1244.729       118.6649 1208.573       166.0720 1282.446       169.6194 223.4122 15.64717 230.1968 15.50272 -6.784592      22.02653 
1 1 1 5   5   13 o 98.16217 11.56546 234.3546       53.23640 316.1032       71.45190 132.3474       79.81583 113.9435 13.37051 73.27240 21.43174 40.67114       25.26044 
1 1 1 5   5   14 o 215.6913 10.05225 1117.222       103.3732 1315.939       136.2169 847.3682       158.7372 233.8887 12.22428 186.7000 18.00701 47.18874       21.76432 
1 1 1 5   5   15 o 579.9534 20.49201 8127.492       567.2871 8272.331       801.1058 7981.810       803.4295 582.0447 28.87909 571.4442 29.50794 10.60052       41.28827 
1 1 1 5   5   16 o 420.0783 15.99769 4249.455       320.7018 4051.425       448.6059 4456.445       458.6423 408.5390 23.06164 428.6985 22.45592 -20.15942      32.18862 
1 1 1 5   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   5   18 o 100.9313 21.30006 255.4273       99.54669 320.2924       130.9398 166.5922       153.2352 112.7132 24.95816 86.78540 30.17322 25.92780       39.15779 
1 1 1 5   5   19 o 312.6697 14.45148 2355.316       215.4420 2693.909       300.8830 1999.070       308.6266 333.5341 18.94694 286.2916 22.73501 47.24255       29.59505 
1 1 1 5   5   20 o 364.5530 15.34819 3204.971       266.9030 3555.041       375.1656 2846.213       379.7928 382.6724 20.58204 341.4900 23.40421 41.18246       31.16693 
1 1 1 5   5   21 o 66.97311 29.11415 -21.45412      173.7179 -223.7809      235.6575 219.3436       257.0874 64.72807 30.32599 104.0093 38.69749 -39.28124      49.16463 
1 1 1 5   5   22 o 257.1893 14.28424 1599.183       174.9480 1570.469       244.0251 1629.550       250.9476 253.4122 20.31176 258.1085 20.50473 -4.696274      28.86194 
1 1 1 5   5   23 o 241.4012 15.72927 1415.133       180.5448 1957.210       279.9019 1028.897       236.2662 282.5104 20.87087 203.1376 24.84426 79.37277       32.44735 
1 1 1 5   5   24 o 236.8583 14.50855 1361.484       163.5055 1565.205       233.5096 1165.523       229.0191 252.5598 19.48958 216.7800 22.42077 35.77980       29.70749 
1 1 1 5   5   25 o 64.04515 24.79127 69.20273       108.0825 83.48993       155.6900 55.91187       150.1632 74.14583 29.43720 69.83025 28.48858 4.315575       40.96520 
1 1 1 5   5   26 o 247.7225 14.81572 1494.899       174.6658 1360.834       249.4015 1623.952       244.6951 233.4049 22.63395 256.2503 20.13505 -22.84546      30.29383 
1 1 1 5   5   27 o 236.8409 16.83809 1376.318       189.4159 1665.482       312.5668 1208.495       238.1201 256.3985 25.85136 219.3849 23.04660 37.01352       34.63291 
1 1 1 5   5   28 o 202.6052 16.84535 1010.666       161.6948 998.4554       227.0107 1023.240       230.3683 198.2530 24.46944 200.7065 24.51609 -2.453445      34.63801 
1 1 1 5   5   29 o 130.5214 23.71977 439.0032       142.5628 824.6816       202.8975 62.92976       200.3551 179.7171 24.23133 77.69003 32.41549 102.0271       40.47124 
1 1 1 5   5   30 o 166.1299 19.99006 694.6661       155.5842 503.0211       222.1086 879.2988       218.0073 134.8305 34.36121 184.5479 25.38038 -49.71745      42.71834 
1 1 1 5   5   31 o 59.26323 25.83544 -7.588397      137.6116 54.94037       198.9924 -64.89946      190.5091 75.98173 32.04162 64.38988 29.08149 11.59185       43.27122 
1 1 1 5   5   32 o 188.7109 18.31176 890.6845       163.1353 827.2968       246.6931 939.9465       217.4756 175.2427 30.55516 190.7691 24.40286 -15.52638      39.10393 
1 1 1 5   5   33 o 207.4113 21.06383 1096.275       205.9771 1067.247       271.8738 1135.385       315.5790 199.0210 29.46207 201.8768 33.89765 -2.855820      44.91174 
1 1 1 5   5   34 o 218.9406 20.36489 1226.074       210.7214 1460.445       283.1004 934.9087       315.5422 234.7975 25.63563 176.9054 38.41170 57.89209       46.18056 
1 1 1 5   5   35 o 116.3130 27.55447 376.8443       150.8557 412.2872       246.7722 355.6956       190.6219 115.8525 38.31071 110.1304 33.34667 5.722038       50.79086 
1 1 1 5   5   36 o 125.7696 26.18564 440.6358       152.3269 481.7144       254.5628 417.7224       190.1217 121.8095 38.80912 117.9423 32.62020 3.867218       50.69739 
1 1 1 5   5   37 o 90.56178 32.33092 248.4229       176.8046 361.0923       414.6261 223.3826       195.4667 102.6272 44.79061 87.52050 33.47861 15.10665       55.91973 
1 1 1 5   5   38 o 92.36155 37.42164 281.1380       257.0026 302.5482       427.2844 269.0016       321.7001 95.76376 43.37269 92.18484 39.84792 3.578918       58.89862 
1 1 1 5   5   39 o 60.19020 26.75217 29.89742       154.3353 283.8074       257.1021 -113.1413      192.9713 88.17332 36.74952 55.48812 26.42409 32.68520       45.26322 
1 1 1 5   6   0  o 197.7022 9.726101 941.1168       91.64812 897.9421       129.4615 984.4900       129.7590 192.3153 14.18024 201.5481 13.54502 -9.232773      19.60986 
1 1 1 5   6   1  o 94.48805 7.624116 215.4261       34.14871 204.1746       45.21413 230.3669       52.10218 91.57157 10.51851 97.19151 11.43126 -5.619934      15.53424 
1 1 1 5   6   2  o 294.6445 7.578216 2082.636       106.6628 2106.667       239.3868 2076.684       119.1432 294.2347 17.09116 294.0914 8.482673 0.1433411      19.08044 
1 1 1 5   6   3  o 212.1783 8.045695 1081.221       81.46767 0.000000       0.000000 1081.221       81.46767 ?        ?        212.1783 8.045695 0.000000       8.045695 
1 1 1 5   6   4  o 143.0832 6.630925 491.5359       45.23646 467.4167       86.60082 500.5864       53.04914 138.6031 13.22926 144.2867 7.718396 -5.683578      15.31623 
1 1 1 5   6   5  o 390.4545 7.311861 3654.521       136.4919 3839.690       191.9127 3464.981       194.1642 399.6048 10.05332 379.4405 10.71401 20.16431       14.69215 
1 1 1 5   6   6  o 341.2384 8.963884 2797.212       146.1121 2822.593       166.5357 2712.351       304.5089 342.5417 10.18046 333.1046 19.20240 9.437103       21.73417 
1 1 1 5   6   7  o 123.5690 8.875411 368.3518       52.08396 390.8825       71.34457 342.6420       76.21178 126.8671 11.90158 118.3827 13.71929 8.484367       18.16222 
1 1 1 5   6   8  o 170.1821 8.917145 696.9594       72.29863 641.2919       106.7790 744.0841       98.24477 162.4332 13.88296 175.4337 11.78185 -13.00047      18.20848 
1 1 1 5   6   9  o 200.3750 10.17266 966.7338       97.13212 926.8000       135.9167 1008.417       138.8618 195.4180 14.65463 203.9502 14.33257 -8.532242      20.49831 
1 1 1 5   6   10 o 397.6679 9.847079 3794.918       187.2131 3905.985       405.8202 3764.890       211.0077 400.0768 21.29360 395.7183 11.16447 4.358551       24.04293 
1 1 1 5   6   11 o 509.8690 7.897574 6227.527       192.5133 6030.955       266.2790 6442.792       278.6521 501.2382 11.11180 518.0424 11.25093 -16.80420      15.81315 
1 1 1 5   6   12 o 442.5088 16.29950 4722.703       344.2403 4686.186       485.9358 4759.490       487.7278 438.7895 23.24699 442.2505 23.14810 -3.460968      32.80636 
1 1 1 5   6   13 o 422.3596 15.87041 4296.915       319.8937 4598.309       451.5859 3993.342       453.2145 435.5089 21.75768 405.2972 23.49020 30.21170       32.01853 
1 1 1 5   6   14 o 416.9806 9.828424 4165.605       195.9332 4335.097       221.6369 3559.371       419.1677 425.1300 10.91368 382.8771 23.00530 42.25293       25.46276 
1 1 1 5   6   15 o 125.5719 13.42215 382.7527       79.33102 348.4146       122.7091 407.4105       103.9838 118.1308 22.54958 128.9811 17.29862 -10.85023      28.42052 
1 1 1 5   6   16 o 495.0567 11.80827 5877.961       279.4791 5909.404       314.9720 5761.560       606.0276 495.9839 13.29499 486.3302 26.16099 9.653717       29.34543 
1 1 1 5   6   17 f 599.8243 21.03055 8705.777       602.1582 8292.206       846.9531 9128.511       856.2842 581.4827 30.57333 610.7402 29.41248 -29.25745      42.42432 
1 1 1 5   6   18 o 139.8512 16.75702 477.5701       109.8114 460.0391       141.1324 504.4662       174.8107 136.0988 22.47396 141.7227 26.78113 -5.623932      34.96152 
1 1 1 5   6   19 o 205.1916 15.89118 1019.637       154.6780 1153.104       185.9467 719.8303       278.6916 217.9040 18.00972 167.5167 35.87918 50.38728       40.14556 
1 1 1 5   6   20 o 139.7571 21.01548 483.4473       136.0747 596.9823       220.1481 413.2525       173.1021 153.1327 31.13236 127.3681 29.06992 25.76453       42.59442 
1 1 1 5   6   21 o 246.7230 15.50717 1473.556       181.9904 1940.511       238.1831 818.5217       282.1012 282.7630 17.70784 178.5644 34.29089 104.1986       38.59317 
1 1 1 5   6   22 o 386.5495 15.83044 3616.130       291.9353 3530.787       409.4574 3704.369       416.3464 379.5211 22.66982 388.8429 22.49209 -9.321777      31.93454 
1 1 1 5   6   23 o 228.2788 15.93984 1267.278       172.8703 1485.960       265.0229 1105.329       228.0689 245.1812 22.87326 211.1458 22.96248 34.03542       32.41083 
1 1 1 5   6   24 o 51.09196 23.33163 -77.03818      126.8637 -108.2507      142.7745 40.05455       276.5356 52.38337 24.22252 87.96249 37.46111 -35.57913      44.61015 
1 1 1 5   6   25 o 321.8469 15.30844 2519.825       234.8778 2809.891       333.1072 2233.009       331.2354 337.5101 20.74398 299.5042 23.31622 38.00589       31.20832 
1 1 1 5   6   26 o 272.9989 14.72318 1814.780       191.4526 2035.870       272.8041 1600.210       268.7511 287.0284 20.00528 253.2343 22.43001 33.79414       30.05523 
1 1 1 5   6   27 o 173.5074 17.13976 742.7180       140.3223 686.0552       199.8950 797.7668       197.0275 163.2461 26.52190 177.4339 23.82820 -14.18773      35.65382 
1 1 1 5   6   28 o 200.9133 16.25161 992.5665       154.7724 735.8741       221.1394 1239.036       216.6910 167.8500 28.58047 222.8480 20.57077 -54.99802      35.21363 
1 1 1 5   6   29 o 230.2372 17.91016 1311.932       195.5943 1446.202       324.7803 1235.520       245.0078 235.2623 29.52393 220.6660 23.58945 14.59630       37.79054 
1 1 1 5   6   30 o 126.6018 29.54732 431.8030       175.5645 400.4386       318.5386 445.4877       210.4076 120.7182 43.36110 126.8548 34.00319 -6.136650      55.10355 
1 1 1 5   6   31 o 94.89590 29.04275 239.1124       144.0748 207.7566       200.3741 272.6758       207.3079 92.97638 34.24156 101.7880 35.11037 -8.811577      49.04307 
1 1 1 5   6   32 o 55.01905 24.94728 -60.78720      141.8480 -364.0280      200.0428 245.8766       201.1687 49.69532 24.40490 97.63809 34.52416 -47.94277      42.27903 
1 1 1 5   6   33 o 123.6883 32.00648 430.5052       190.7040 399.5909       226.2059 506.4651       354.5823 117.5039 36.46768 127.9255 45.77256 -10.42168      58.52366 
1 1 1 5   6   34 o 112.8643 27.71893 352.6050       148.4618 244.2631       231.5316 428.2546       193.4708 96.52401 36.55157 121.8617 32.57973 -25.33768      48.96383 
1 1 1 5   6   35 o 86.83968 29.54746 204.6528       146.6962 225.7637       226.6836 189.4412       192.4212 93.14497 35.94392 86.99471 33.23174 6.150269       48.95216 
1 1 1 5   6   36 o 73.81520 28.72225 124.8452       145.6552 -22.81699      236.1285 215.5403       185.0570 70.85950 32.15263 88.32861 32.83789 -17.46911      45.95779 
1 1 1 5   6   37 o 137.3508 25.56390 536.6559       161.6916 20.30726       252.0699 897.6528       210.7663 73.26528 33.23475 178.4831 25.41740 -105.2178      41.84008 
1 1 1 5   6   38 o 80.72037 35.08130 151.6785       252.0905 -63.23075      412.7831 279.5086       318.3545 79.30147 38.00375 92.25270 39.75732 -12.95123      54.99936 
1 1 1 5   6   39 f 67.69571 29.16379 94.96294       171.1847 601.2476       430.7392 -0.1081462E-03 186.5496 103.1229 45.31190 61.39136 28.13191 41.73156       53.33454 
1 1 1 5   7   0  o 132.6426 7.799278 423.2152       49.24079 421.0354       76.60963 424.7496       64.27659 131.6879 12.31096 132.5887 10.21879 -0.9007416     15.99948 
1 1 1 5   7   1  o 332.2738 8.597375 2650.451       136.4600 2531.246       286.3304 2685.483       155.2216 322.1690 18.66980 334.2664 9.723286 -12.09732      21.05003 
1 1 1 5   7   2  o 394.4300 5.832953 3725.178       109.9934 4231.813       189.1401 3466.278       135.2077 419.8309 9.423252 380.2774 7.436912 39.55350       12.00439 
1 1 1 5   7   3  o 97.26541 7.905903 228.3334       36.44689 0.000000       0.000000 228.3334       36.44689 ?        ?        97.26541 7.905903 0.000000       7.905903 
1 1 1 5   7   4  o 175.6224 7.051797 740.2916       59.08865 0.000000       0.000000 740.2916       59.08865 ?        ?        175.6224 7.051797 0.000000       7.051797 
1 1 1 5   7   5  o 428.7518 8.576991 4410.142       175.8123 4043.458       441.6160 4479.205       191.6551 405.5220 22.87103 431.9635 9.280361 -26.44150      24.68217 
1 1 1 5   7   6  o 350.3084 13.66637 2963.551       228.4431 2976.148       322.6429 2950.886       323.4935 349.2663 19.39842 347.7261 19.53755 1.540161       27.53207 
1 1 1 5   7   7  o 167.3020 9.612425 674.0145       76.56150 684.5668       107.5052 663.1548       109.0601 168.0208 13.49658 165.2779 13.93162 2.742905       19.39711 
1 1 1 5   7   8  o 193.3949 8.114208 898.0289       74.85720 888.0809       102.6485 909.3290       109.4021 191.9296 11.23585 194.1295 11.84398 -2.199875      16.32556 
1 1 1 5   7   9  o 193.2657 8.981886 897.3883       82.76396 866.0893       104.7574 949.3723       135.0064 189.5330 11.61670 198.0426 14.35641 -8.509567      18.46766 
1 1 1 5   7   10 o 277.1256 11.97281 1847.534       158.2542 1928.687       222.5207 1764.479       225.1124 282.3549 16.55681 269.8243 17.54573 12.53055       24.12428 
1 1 1 5   7   11 o 389.0997 14.75190 3645.981       273.9240 3595.535       386.2144 3697.045       388.5704 384.9233 21.06710 390.3813 20.89573 -5.457977      29.67245 
1 1 1 5   7   12 o 357.1214 13.80612 3067.477       235.2758 2906.228       330.3173 3233.525       335.1967 346.4110 20.03029 365.6343 19.24315 -19.22330      27.77609 
1 1 1 5   7   13 f 104.9239 12.83323 268.0557       63.03685 278.5501       73.91090 240.0530       120.7341 106.6614 14.90020 97.69956 25.55944 8.961861       29.58549 
1 1 1 5   7   14 o 290.1945 13.12636 2025.078       181.6419 2086.847       251.5540 1957.785       262.5602 293.8403 17.99280 284.3105 19.43331 9.529846       26.48385 
1 1 1 5   7   15 o 372.4160 11.54184 3328.958       205.2519 3366.866       244.5633 3238.647       377.4870 374.2231 13.69258 365.4356 21.70419 8.787476       25.66239 
1 1 1 5   7   16 o 83.02781 21.83414 172.7408       87.80735 131.6644       109.2848 247.5583       147.4908 75.93208 25.50421 99.74341 29.12230 -23.81133      38.71141 
1 1 1 5   7   17 o 239.7032 13.73991 1384.647       156.7989 1447.909       212.5831 1309.164       232.2085 244.3852 18.32825 231.7501 21.19230 12.63506       28.01854 
1 1 1 5   7   18 o 460.8195 12.26725 5100.933       270.0225 5367.339       315.4254 4370.178       522.4090 472.3687 13.98252 422.8922 25.96399 49.47650       29.48965 
1 1 1 5   7   19 o 271.0665 15.06680 1773.763       194.4881 1674.255       254.9345 1912.316       300.8214 262.2276 20.49765 279.8071 22.68184 -17.57947      30.57155 
1 1 1 5   7   20 f 682.2463 12.47032 11185.48       406.7496 11230.20       439.0774 10914.85       1080.039 683.3181 13.44032 661.8549 34.24902 21.46320       36.79182 
1 1 1 5   7   21 o 147.6306 16.98945 533.6743       117.7287 534.5074       153.7619 532.4941       183.0214 146.4232 22.69925 144.8943 27.42461 1.528885       35.60007 
1 1 1 5   7   22 f 561.9044 20.53620 7704.024       550.7567 8058.459       775.9693 7344.207       781.8390 569.3268 28.60010 542.1898 30.28214 27.13696       41.65302 
1 1 1 5   7   23 o 331.3380 13.27458 2652.979       209.8556 2785.806       280.3015 2483.568       316.5558 338.2517 17.39152 318.0138 20.93721 20.23795       27.21822 
1 1 1 5   7   24 f 329.2917 14.94214 2632.608       234.6221 2637.197       326.2487 2627.693       337.6568 327.1578 20.96890 326.1861 21.77692 0.9717712      30.23126 
1 1 1 5   7   25 o 175.1008 19.27669 760.0802       158.7057 339.6201       251.6353 1037.802       204.5100 114.9206 38.70125 204.1879 21.26064 -89.26724      44.15656 
1 1 1 5   7   26 o 152.2984 18.60365 576.5953       132.6487 594.5056       176.3791 553.2753       201.2610 152.4183 25.07611 145.0039 30.02097 7.414352       39.11611 
1 1 1 5   7   27 o 147.4300 29.96886 573.5759       204.0270 543.8151       270.7928 612.6544       310.3009 140.0306 39.00674 147.3851 42.00285 -7.354553      57.32160 
1 1 1 5   7   28 o 115.6181 27.87826 353.7185       152.2925 255.8248       175.6275 650.4308       305.7615 99.39071 32.28894 151.2695 41.18152 -51.87881      52.33061 
1 1 1 5   7   29 o 228.8493 17.60323 1296.221       191.1184 1086.272       239.4011 1665.142       317.3486 205.9254 24.81659 254.3656 26.48309 -48.44017      36.29348 
1 1 1 5   7   30 o 86.92371 27.81702 194.9595       130.6695 -132.6046      184.2686 526.2911       185.3252 58.53366 27.22177 140.3630 28.58900 -81.82930      39.47602 
1 1 1 5   7   31 o 69.76601 31.39814 -57.03852      219.8191 -388.3275      314.9303 257.7043       306.9651 67.29173 32.48818 105.4103 41.49549 -38.11861      52.70064 
1 1 1 5   7   32 o 190.3113 28.04185 961.0127       247.5023 1376.653       348.3354 537.2277       351.7316 223.8907 33.57683 132.9721 45.73878 90.91864       56.74010 
1 1 1 5   7   33 o 154.1239 35.71120 690.4846       257.9774 876.3790       357.1609 487.7081       373.0264 166.3953 44.16665 124.8853 46.58441 41.51001       64.19346 
1 1 1 5   7   34 o 95.72892 32.71498 254.8817       179.8674 210.6392       216.8773 352.3619       321.9232 91.58156 35.20560 109.9564 42.72416 -18.37488      55.36052 
1 1 1 5   7   35 o 153.6835 22.60335 625.4906       161.1197 328.9926       238.9150 872.8156       218.2060 104.9373 37.56944 179.1229 26.26003 -74.18555      45.83723 
1 1 1 5   7   36 o 127.3253 26.78534 459.7892       157.8750 190.1142       237.5641 673.0883       211.2783 87.35334 35.75813 151.7425 30.18575 -64.38918      46.79555 
1 1 1 5   7   37 o 72.30865 28.95657 124.0991       151.9410 167.9267       232.2688 91.31505       200.8856 82.29199 34.65516 73.22160 31.56890 9.070389       46.87831 
1 1 1 5   7   38 o 131.8345 26.86706 518.0413       163.5864 567.5924       256.1316 483.9035       212.5957 122.7662 38.90678 117.9590 35.10299 4.807167       52.40189 
1 1 1 5   7   39 o 60.74073 28.30082 -26.99521      200.6317 -205.7502      250.6982 291.4360       334.6031 57.64775 28.09808 86.58543 38.87173 -28.93768      47.96367 
1 1 1 5   8   0  o 432.5573 9.124806 4485.290       188.7016 4268.654       450.1657 4531.470       207.8436 418.3947 22.58870 434.6551 10.00192 -16.26044      24.70401 
1 1 1 5   8   1  o 252.7235 10.95392 1536.168       132.0355 1450.263       186.4955 1622.500       186.9583 244.6754 16.03128 259.0284 15.16326 -14.35291      22.06641 
1 1 1 5   8   2  o 380.7543 5.820227 3469.889       105.9481 3491.372       181.3410 3458.755       130.5462 381.3404 9.955118 380.0175 7.185422 1.322906       12.27741 
1 1 1 5   8   3  o 279.0475 11.68024 1874.203       155.4809 0.000000       0.000000 1874.203       155.4809 ?        ?        279.0475 11.68024 0.000000       11.68024 
1 1 1 5   8   4  o 136.6546 7.621436 448.7582       49.59587 0.000000       0.000000 448.7582       49.59587 ?        ?        136.6546 7.621436 0.000000       7.621436 
1 1 1 5   8   5  o 390.6237 12.03594 3670.228       224.5063 3630.206       388.9580 3690.223       274.9270 386.0012 21.15776 391.0865 14.73035 -5.085266      25.78050 
1 1 1 5   8   6  o 426.7067 9.604040 4366.478       195.9259 4307.465       448.4606 4380.398       217.8122 420.2698 22.40059 427.2270 10.66388 -6.957184      24.80937 
1 1 1 5   8   7  o 207.9498 8.695325 1038.042       86.25679 1056.853       107.6230 1004.256       144.2342 209.5961 10.77641 203.6975 14.91402 5.898636       18.39997 
1 1 1 5   8   8  o 69.69327 12.42742 120.1187       39.88876 93.52243       61.24190 139.7152       52.56865 62.09879 18.92147 74.86172 15.20733 -12.76293      24.27519 
1 1 1 5   8   9  o 212.0157 9.525261 1079.335       96.30366 1152.038       152.3288 1030.928       124.2952 218.4061 14.67359 206.8410 12.62946 11.56516       19.36020 
1 1 1 5   8   10 o 708.3834 11.37077 12034.07       385.0940 12544.28       1177.658 11972.99       407.4963 713.0514 34.64911 706.4403 12.06535 6.611084       36.68969 
1 1 1 5   8   11 o 133.6338 10.14955 430.3634       64.35927 464.0247       87.41321 390.5146       95.10843 138.3991 13.37756 126.4313 16.09926 11.96774       20.93192 
1 1 1 5   8   12 o 609.0340 10.51497 8889.021       306.1667 8943.506       327.8947 8518.312       855.2971 610.7900 11.22882 590.0273 30.42324 20.76263       32.42931 
1 1 1 5   8   13 o 269.4054 11.08154 1742.763       142.4252 1724.560       199.4864 1761.688       203.4102 267.3937 15.67336 270.2450 15.81278 -2.851288      22.26429 
1 1 1 5   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   8   15 o 159.4993 14.50801 616.2408       109.4212 944.8301       149.8050 240.4295       160.2081 197.5547 15.99775 99.16692 30.67568 98.38782       34.59661 
1 1 1 5   8   16 o 529.0939 12.03874 6716.763       304.5243 6622.098       338.3664 7120.259       698.5734 524.9316 13.49386 540.0318 27.14433 -15.10022      30.31334 
1 1 1 5   8   17 o 162.4267 14.93671 639.7638       114.6922 947.9619       150.7527 216.2259       176.7243 197.8005 16.08008 96.45945 32.43274 101.3411       36.20016 
1 1 1 5   8   18 f 236.2086 13.63358 1345.456       153.3080 1375.914       205.4414 1307.180       230.3027 238.0788 18.18690 231.4167 21.04592 6.662094       27.81535 
1 1 1 5   8   19 o 406.5646 16.31165 3992.107       316.4121 4223.212       440.7491 3746.339       454.5172 416.3880 22.22084 391.3438 24.41475 25.04422       33.01281 
1 1 1 5   8   20 o 378.8249 14.10059 3461.181       254.9327 3282.581       387.3095 3597.709       338.6322 366.5005 22.20844 385.0304 18.44975 -18.52991      28.87227 
1 1 1 5   8   21 o 315.0930 14.80400 2401.371       222.3875 2516.521       307.9907 2275.939       321.4475 320.9934 20.17132 304.5020 22.23386 16.49139       30.02044 
1 1 1 5   8   22 o 437.9410 17.26702 4660.495       360.8190 4976.456       505.8051 4333.112       514.8657 449.4187 23.62389 418.0285 25.88905 31.39026       35.04756 
1 1 1 5   8   23 o 105.7104 23.62435 285.9603       116.3865 171.2952       155.6430 431.4084       175.2944 86.52099 30.38665 128.8548 29.14028 -42.33376      42.10112 
1 1 1 5   8   24 o 321.5077 14.05542 2507.768       215.5226 2491.245       289.4075 2528.341       322.9305 318.4808 19.09489 319.8464 21.23862 -1.365601      28.56036 
1 1 1 5   8   25 o 85.71998 25.65157 187.1075       113.2815 156.1078       149.2049 229.2959       174.0605 83.01410 29.69319 96.01383 32.18644 -12.99973      43.79101 
1 1 1 5   8   26 o 97.13657 29.33608 244.6656       147.6620 212.0824       250.4236 262.0325       182.8270 99.42341 37.92762 101.0843 32.95157 -1.660912      50.24252 
1 1 1 5   8   27 o 100.9343 25.52823 266.4434       123.2505 384.5171       163.6536 111.7118       187.3434 120.4511 28.80768 81.28544 32.28498 39.16563       43.26895 
1 1 1 5   8   28 o 112.3940 28.36127 335.9001       152.3733 168.1970       172.7520 923.5652       323.3834 86.39014 31.79772 182.2220 38.33652 -95.83186      49.80747 
1 1 1 5   8   29 o 78.32640 32.90506 62.61327       208.6012 -24.50447      272.5450 185.8285       324.1284 80.15743 35.59299 101.4443 41.67393 -21.28690      54.80490 
1 1 1 5   8   30 o 55.50662 25.25628 -69.21504      146.9552 -81.57018      164.9135 -21.57401      323.8342 58.23640 26.59695 86.16826 38.49535 -27.93185      46.78984 
1 1 1 5   8   31 o 216.4179 19.14099 1174.271       196.0062 1370.321       240.6858 788.2412       337.7365 232.2671 21.93456 162.2707 42.89174 69.99637       48.17495 
1 1 1 5   8   32 o 81.47836 30.80421 148.4772       164.2885 7.641663       190.3225 560.2285       325.4254 69.65641 30.37446 135.0568 43.95803 -65.40035      53.43142 
1 1 1 5   8   33 o 116.0571 35.60972 395.9423       216.4210 82.46012       306.0410 709.5247       306.0900 88.24861 38.49883 150.7987 41.26533 -62.55013      56.43569 
1 1 1 5   8   34 o 184.9323 27.25105 932.7879       233.7237 854.7386       325.9426 1015.397       335.3276 163.6322 41.58434 181.0440 39.82578 -17.41174      57.57908 
1 1 1 5   8   35 o 185.0715 22.33163 905.3159       193.6018 1194.846       234.0354 277.6995       344.5737 211.8229 23.50525 101.7191 42.48097 110.1038       48.55028 
1 1 1 5   8   36 o 67.98327 29.17288 58.86779       170.0202 60.22085       196.8993 54.90198       337.0947 71.27381 30.98967 83.30284 38.03769 -12.02903      49.06348 
1 1 1 5   8   37 f 60.70290 26.40018 33.94577       142.9734 -391.4476      204.0181 444.4655       200.4197 46.80644 23.28139 115.6113 34.00105 -68.80482      41.20795 
1 1 1 5   8   38 o 123.2554 27.48910 465.0830       157.8586 637.7434       228.6338 307.7906       218.2217 135.3309 35.05833 92.86932 35.41056 42.46159       49.82965 
1 1 1 5   8   39 o 47.61596 22.83087 -119.7477      149.4034 -33.77767      213.3957 -202.4035      209.2421 60.97821 28.66057 52.35993 25.55351 8.618282       38.39805 
1 1 1 5   9   0  o 399.5872 9.187555 3824.481       175.5173 3772.297       194.4272 4054.281       408.0032 396.6217 10.26212 409.1866 20.92563 -12.56482      23.30650 
1 1 1 5   9   1  o 227.8263 6.929732 1243.380       75.39168 1227.544       106.6523 1259.197       106.5876 226.1209 9.889461 229.0362 9.756416 -2.915253      13.89205 
1 1 1 5   9   2  o 371.1681 6.639338 3296.931       117.8159 3351.128       176.7371 3253.586       158.0571 373.8188 9.897843 368.5486 8.970382 5.270233       13.35796 
1 1 1 5   9   3  o 348.3922 8.814620 2909.166       146.7005 0.000000       0.000000 2909.166       146.7005 ?        ?        348.3922 8.814620 0.000000       8.814620 
1 1 1 5   9   4  o 544.8938 19.04167 7172.920       495.2874 0.000000       0.000000 7172.920       495.2874 ?        ?        544.8938 19.04167 0.000000       19.04167 
1 1 1 5   9   5  o 338.8273 13.27346 2760.899       214.6001 0.000000       0.000000 2760.899       214.6001 ?        ?        338.8273 13.27346 0.000000       13.27346 
1 1 1 5   9   6  o 243.6015 7.462313 1421.827       86.80591 1345.964       168.8943 1449.061       101.1947 236.1536 15.03745 245.8308 8.623555 -9.677200      17.33466 
1 1 1 5   9   7  o 304.1818 9.112497 2218.179       132.3698 2040.849       245.3935 2290.952       157.2018 290.5646 17.74962 308.9738 10.65806 -18.40912      20.70370 
1 1 1 5   9   8  o 299.9321 7.717054 2154.830       110.5661 2073.972       152.6145 2244.153       160.4043 293.9472 10.87847 305.7726 10.99046 -11.82532      15.46388 
1 1 1 5   9   9  o 404.9320 9.782850 3928.063       189.3895 3822.820       407.3739 3957.081       213.9121 397.2671 21.52921 406.1586 11.02639 -8.891510      24.18859 
1 1 1 5   9   10 o 415.5214 15.60463 4155.596       309.4445 4329.225       436.6514 3980.417       438.5963 422.8038 21.67401 405.1016 22.73731 17.70215       31.41255 
1 1 1 5   9   11 o 628.3820 21.62614 9549.717       648.7291 9038.703       915.4376 10065.23       919.4587 607.3101 31.63807 641.7112 30.05331 -34.40112      43.63679 
1 1 1 5   9   12 o 457.7437 24.24116 5090.356       528.6072 0.000000       0.000000 5090.356       528.6072 ?        ?        457.7437 24.24116 0.000000       24.24116 
1 1 1 5   9   13 o 520.9875 26.77147 6616.054       664.5829 6616.054       664.5829 0.000000       0.000000 520.9875 26.77147 ?        ?        0.000000       26.77147 
1 1 1 5   9   14 o 401.1461 11.79307 3863.269       225.9259 3724.800       410.9109 3923.265       270.4776 391.7863 22.02635 403.8928 14.02868 -12.10654      26.11444 
1 1 1 5   9   15 o 167.6572 13.44916 679.3656       106.8982 881.9102       149.6033 468.0694       152.8012 190.6918 16.57418 136.9471 24.22419 53.74472       29.35157 
1 1 1 5   9   16 o 198.5554 14.95760 953.5170       140.9441 1063.142       214.5538 870.2964       186.9378 208.4205 21.85689 188.5168 21.10315 19.90378       30.38201 
1 1 1 5   9   17 o 223.0815 13.73712 1200.744       145.7995 1245.229       200.6632 1150.994       212.2036 226.3122 18.71317 217.1058 20.69438 9.206467       27.90054 
1 1 1 5   9   18 o 431.4446 16.76675 4497.485       345.1872 4599.435       485.2352 4393.032       491.1554 434.1223 23.46655 423.9135 24.33674 10.20877       33.80763 
1 1 1 5   9   19 o 238.0916 14.88089 1371.628       168.5405 1340.675       208.1711 1430.522       287.1475 234.5558 18.71896 240.4879 25.35608 -5.932007      31.51715 
1 1 1 5   9   20 o 397.7767 16.42783 3832.928       311.7398 4440.124       434.4373 3188.410       447.5900 426.2618 21.38611 359.0030 26.25962 67.25888       33.86641 
1 1 1 5   9   21 f 210.2807 14.40688 1072.677       143.9613 879.3892       187.7351 1348.571       224.2919 188.6187 21.18438 234.3475 20.21658 -45.72876      29.28290 
1 1 1 5   9   22 f 181.8718 17.75346 811.9114       152.4046 886.2459       175.9045 588.1231       305.2111 189.5363 19.69930 147.4311 41.53599 42.10519       45.97065 
1 1 1 5   9   23 o 194.0756 15.87170 920.6796       145.9810 1083.488       195.5956 715.9542       219.3344 209.4323 19.76861 166.7802 28.53260 42.65218       34.71178 
1 1 1 5   9   24 o 176.1439 16.85735 763.2007       140.2296 817.7249       187.7486 694.4056       210.8922 180.5831 22.21416 164.0220 27.89120 16.56102       35.65652 
1 1 1 5   9   25 o 190.4326 16.24515 890.4521       146.4909 978.2761       199.5220 787.7425       215.7696 197.8014 21.44105 175.1813 26.59771 22.62009       34.16367 
1 1 1 5   9   26 o 445.2222 17.70961 4867.396       376.2071 4996.360       527.6026 4734.004       536.5853 445.4198 24.87469 432.4571 26.07411 12.96268       36.03622 
1 1 1 5   9   27 o 356.9787 14.95570 3112.057       254.6797 2991.464       334.5826 3278.183       392.7010 346.9375 20.25991 361.3859 22.84604 -14.44843      30.53532 
1 1 1 5   9   28 o 140.2042 25.32804 511.7682       163.5273 679.9459       189.7066 25.43993       322.5990 162.0932 25.30643 89.86652 39.35822 72.22669       46.79193 
1 1 1 5   9   29 o 217.9565 19.14411 1188.052       197.4618 1306.763       240.1249 940.1152       347.0261 226.8454 22.43456 179.9378 41.22593 46.90758       46.93492 
1 1 1 5   9   30 o 139.9223 27.49468 521.7938       177.3638 590.5584       299.3895 484.6103       220.1553 141.2300 41.56230 131.2997 34.59407 9.930283       54.07564 
1 1 1 5   9   31 o 237.6837 16.53312 1400.751       186.7010 1507.407       253.5412 1274.408       275.9502 243.3050 22.03528 220.4509 26.72772 22.85410       34.63993 
1 1 1 5   9   32 o 191.6233 18.35926 926.1183       166.1397 1094.985       232.3627 749.4933       237.6403 204.7517 24.20469 164.3043 31.39691 40.44742       39.64383 
1 1 1 5   9   33 o 110.4660 25.74186 333.4330       133.4210 459.8971       188.5891 206.7093       188.7826 126.8639 31.29140 89.54219 33.18978 37.32172       45.61483 
1 1 1 5   9   34 o 102.1963 30.68826 300.7534       161.9239 364.2906       311.3206 277.1907       189.5857 109.2288 42.13031 98.13717 33.58585 11.09160       53.87923 
1 1 1 5   9   35 o 72.24149 27.67852 122.1034       133.7482 14.13229       189.6280 228.9895       188.6728 67.47151 29.83820 90.09039 33.21836 -22.61887      44.65174 
1 1 1 5   9   36 o 165.6373 21.15625 740.1336       163.7157 690.7076       229.3672 791.4680       233.7532 148.2390 33.19162 161.0298 31.49162 -12.79083      45.75375 
1 1 1 5   9   37 o 168.4329 25.23434 816.2531       196.9531 824.0684       234.8519 797.7283       361.5766 162.0255 31.45256 133.7949 46.35855 28.23058       56.02123 
1 1 1 5   9   38 o 51.18690 24.55214 -136.4226      173.1370 -88.73588      199.2961 -283.1478      349.5849 57.44163 27.20913 64.66135 31.85393 -7.219719      41.89284 
1 1 1 5   9   39 o 140.7309 27.75263 639.6171       180.0867 542.8190       241.4205 761.0468       270.3979 111.5972 37.90608 132.5339 39.62416 -20.93668      54.83562 
1 1 1 5   10  0  o 463.9323 9.132587 5154.007       202.5615 5309.548       222.4992 4400.940       489.5783 470.8104 9.884940 425.8263 24.14709 44.98404       26.09203 
1 1 1 5   10  1  o 248.6479 8.336665 1481.733       98.96259 1356.278       175.6211 1540.104       119.7926 237.0865 15.58027 253.3710 9.908384 -16.28450      18.46404 
1 1 1 5   10  2  o 315.0399 7.729877 2375.537       116.4251 2272.740       263.4607 2400.483       129.7850 306.7636 18.04371 316.5271 8.584333 -9.763519      19.98164 
1 1 1 5   10  3  o 866.2269 11.31133 17985.91       468.4398 0.000000       0.000000 17985.91       468.4398 ?        ?        866.2269 11.31133 0.000000       11.31133 
1 1 1 5   10  4  o 329.2537 12.77528 2604.429       200.7172 0.000000       0.000000 2604.429       200.7172 ?        ?        329.2537 12.77528 0.000000       12.77528 
1 1 1 5   10  5  o 153.9883 11.30083 571.4326       82.61739 0.000000       0.000000 571.4326       82.61739 ?        ?        153.9883 11.30083 0.000000       11.30083 
1 1 1 5   10  6  o 271.9267 8.318016 1771.900       108.0112 1927.374       222.2749 1723.839       123.5834 282.6394 16.52141 268.0954 9.657677 14.54404       19.13708 
1 1 1 5   10  7  o 163.5725 8.084201 642.0590       63.02431 569.9966       113.1255 674.4926       75.89331 153.2213 15.66319 167.5424 9.513907 -14.32117      18.32621 
1 1 1 5   10  8  o 280.4150 12.38809 1889.712       165.6688 2060.356       231.9052 1711.861       236.7520 292.2170 16.66870 265.9260 18.74196 26.29108       25.08200 
1 1 1 5   10  9  o 425.9257 15.60696 4366.173       317.2675 3846.678       445.1731 4902.385       452.2793 398.0049 23.50008 450.1296 21.07503 -52.12469      31.56597 
1 1 1 5   10  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   10  11 o 445.6252 15.99947 4781.970       340.3129 4152.538       477.6949 5430.632       484.9371 413.2130 24.28777 473.5693 21.47460 -60.35635      32.41997 
1 1 1 5   10  12 o 299.0979 10.69326 2147.214       152.6626 2205.989       186.5252 2027.952       265.6988 302.8899 12.91046 289.3133 19.32008 13.57660       23.23672 
1 1 1 5   10  13 o 297.2061 13.04811 2124.727       184.9498 1621.259       258.2117 2655.171       265.0391 258.1306 21.10733 331.6741 16.76878 -73.54343      26.95759 
1 1 1 5   10  14 o 128.5411 17.52573 405.3801       104.9005 326.8897       125.3151 589.1585       191.7531 114.0273 23.75917 153.3300 27.15171 -39.30277      36.07927 
1 1 1 5   10  15 o 292.6978 12.77308 2061.338       178.3103 2169.967       265.8481 1972.507       240.4050 299.2404 18.67564 285.4484 17.70313 13.79205       25.73286 
1 1 1 5   10  16 o 185.8835 14.86068 836.7646       130.9660 932.7675       206.4293 772.0912       169.4307 194.7733 22.58663 177.4794 20.33482 17.29382       30.39179 
1 1 1 5   10  17 o 251.1392 12.66814 1519.739       151.6110 1683.767       224.7704 1382.815       205.3623 263.3595 17.95925 238.5093 18.14591 24.85019       25.53054 
1 1 1 5   10  18 o 233.0272 14.95190 1314.591       165.6967 1267.354       209.4651 1393.574       270.8542 227.7980 19.41823 237.6163 24.17888 -9.818314      31.01106 
1 1 1 5   10  19 o 208.3168 16.21649 1055.506       160.2349 1075.541       245.5502 1040.648       211.4636 207.8259 25.22952 205.4042 21.86954 2.421677       33.38870 
1 1 1 5   10  20 o 466.4476 12.86059 5247.667       286.5216 5342.715       335.1222 4989.398       552.4198 469.9295 14.93530 448.7838 25.85629 21.14578       29.85985 
1 1 1 5   10  21 o 152.3373 20.91138 578.1108       148.2843 407.2194       225.8832 707.5272       196.5705 124.3631 35.96172 167.3621 25.36071 -42.99895      44.00467 
1 1 1 5   10  22 o 209.2194 16.29371 1070.135       161.6944 1016.922       229.4821 1122.603       227.8671 201.1969 24.35218 212.1161 22.82879 -10.91925      33.37937 
1 1 1 5   10  23 o 392.2064 16.48225 3754.244       308.3688 4085.990       427.0690 3392.875       445.7280 405.9251 22.08937 367.5737 25.52247 38.35135       33.75407 
1 1 1 5   10  24 o 223.9522 15.04851 1224.799       160.1876 1376.354       211.4408 1020.627       245.4160 236.0689 18.89204 199.9897 26.30483 36.07915       32.38600 
1 1 1 5   10  25 o 220.5744 15.31201 1190.416       160.4690 1367.564       214.3512 964.5503       242.0377 234.9740 19.24943 193.8024 26.84234 41.17165       33.03107 
1 1 1 5   10  26 o 152.7739 18.60045 582.4774       133.0599 613.0264       173.6570 539.0406       207.0729 154.6095 24.29379 141.7915 31.37785 12.81799       39.68322 
1 1 1 5   10  27 o 68.23841 26.44874 84.31992       123.1378 210.1375       163.9010 -78.72786      186.5815 91.53647 31.23046 62.98791 28.58091 28.54856       42.33450 
1 1 1 5   10  28 o 308.5551 16.61858 2348.137       244.2471 2837.916       332.4644 1773.828       360.0131 336.4471 20.77029 259.5434 29.53849 76.90366       36.10993 
1 1 1 5   10  29 o 320.9440 16.00773 2539.144       244.8468 2678.670       342.5826 2393.453       350.0700 325.2272 22.16529 305.7671 24.14303 19.46008       32.77478 
1 1 1 5   10  30 o 72.65112 28.23493 101.2417       140.6209 -62.86480      193.8046 283.6933       204.3501 64.86201 29.30981 102.7584 34.87496 -37.89644      45.55577 
1 1 1 5   10  31 o 76.03091 30.93661 93.53046       176.5199 31.47736       329.5428 118.4988       209.0379 88.65680 39.26466 82.58038 33.64176 6.076424       51.70572 
1 1 1 5   10  32 o 142.2463 23.54262 535.2552       154.5091 392.7290       204.4881 724.8928       235.8756 115.9032 34.41131 160.1248 31.93227 -44.22163      46.94474 
1 1 1 5   10  33 o 166.1116 21.04524 718.6686       163.3874 784.8840       220.0113 637.2458       243.9711 168.4565 28.32188 145.8691 35.35650 22.58739       45.30133 
1 1 1 5   10  34 o 101.2905 31.35619 300.1505       167.3586 584.3702       333.1203 204.1927       193.5594 129.3058 44.51090 87.97661 33.39585 41.32916       55.64623 
1 1 1 5   10  35 o 77.74523 30.62014 149.6881       167.2214 361.2525       337.0169 80.59022       192.6028 103.4488 42.49557 72.65915 31.11203 30.78963       52.66718 
1 1 1 5   10  36 o 72.34808 28.38268 133.0843       143.1870 439.4687       213.0762 -119.2019      193.3518 113.2018 35.43419 56.77674 26.86635 56.42501       44.46777 
1 1 1 5   10  37 f 58.88593 25.93850 26.57264       141.9597 69.91623       209.4575 -10.25233      193.0654 70.10294 31.16132 62.53420 28.64191 7.568733       42.32477 
1 1 1 5   10  38 o 42.62678 20.95065 -215.6929      148.3837 -368.9204      215.5495 -77.67384      204.5730 47.41740 23.64087 57.79135 27.43082 -10.37395      36.21244 
1 1 1 5   11  0  o 284.1266 8.605338 1934.684       116.7582 2026.703       138.3603 1707.062       217.6107 290.6865 9.970609 265.8131 17.21622 24.87338       19.89501 
1 1 1 5   11  1  o 439.2516 13.00824 4633.414       272.8736 4769.220       471.3062 4564.936       334.6718 443.6988 22.28947 435.4588 16.10321 8.239929       27.49788 
1 1 1 5   11  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   11  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   11  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   11  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   11  6  o 244.8730 15.61075 1447.105       181.8049 0.000000       0.000000 1447.105       181.8049 ?        ?        244.8730 15.61075 0.000000       15.61075 
1 1 1 5   11  7  f 278.6894 7.360935 1860.234       97.98992 1546.362       161.4204 2043.394       123.3097 253.4672 13.36800 291.9742 8.843930 -38.50702      16.02868 
1 1 1 5   11  8  o 535.7621 16.28284 6910.934       416.5875 6464.081       721.4914 7134.416       510.2343 513.9484 29.48695 543.4775 19.66965 -29.52905      35.44539 
1 1 1 5   11  9  o 198.8513 11.31789 951.1996       107.1532 709.9693       137.5091 1324.134       170.9746 170.9057 17.05689 234.1941 15.35499 -63.28838      22.95023 
1 1 1 5   11  10 o 81.78449 24.62713 163.8034       104.1721 -33.81606      128.8251 537.1503       177.0688 56.18971 24.73170 146.5418 26.23739 -90.35210      36.05631 
1 1 1 5   11  11 o 47.10459 19.06037 22.68364       66.57546 92.07643       92.44662 -52.07639      95.95522 66.04455 23.39911 45.56682 20.60402 20.47773       31.17762 
1 1 1 5   11  12 o 795.0206 27.38876 15432.35       1039.465 15724.39       1468.328 15138.95       1471.729 794.2304 38.78677 778.5395 39.67098 15.69092       55.48153 
1 1 1 5   11  13 o 462.6777 9.055114 5129.172       200.3000 4875.989       266.8561 5455.870       303.1328 450.4869 12.40224 476.3567 13.32352 -25.86981      18.20252 
1 1 1 5   11  14 o 340.9134 11.65230 2792.876       189.6380 2741.053       230.8071 2900.546       332.6856 337.2747 14.34664 345.6317 20.22150 -8.356995      24.79385 
1 1 1 5   11  15 o 462.1689 17.35715 5163.963       382.8379 5812.174       540.5642 4511.657       542.2689 488.2294 23.22534 428.6826 26.58972 59.54681       35.30481 
1 1 1 5   11  16 o 438.9551 11.55828 4631.877       242.3504 4962.016       285.5739 3782.127       458.1591 453.9635 13.17191 392.7052 24.52532 61.25836       27.83866 
1 1 1 5   11  17 o 509.9356 18.78262 6315.313       457.1273 6608.581       644.8391 6019.049       648.1246 517.8882 26.12837 493.3461 27.58874 24.54211       37.99776 
1 1 1 5   11  18 o 119.6076 18.72990 355.4230       103.5909 288.3421       136.2808 447.2244       159.4263 106.0607 26.85418 132.5832 26.08102 -26.52245      37.43483 
1 1 1 5   11  19 o 265.2164 14.76238 1705.398       186.4438 1727.058       244.2755 1675.172       288.5679 265.5676 19.37287 260.0919 23.45853 5.475708       30.42385 
1 1 1 5   11  20 o 314.3381 14.70839 2396.621       220.4269 2593.004       304.3501 2179.962       319.6758 325.1693 19.66940 296.7909 22.70177 28.37836       30.03757 
1 1 1 5   11  21 o 86.43819 25.31227 189.9586       111.2797 53.94282       143.9767 391.7657       175.3742 68.45248 27.90722 122.1537 30.20211 -53.70126      41.12153 
1 1 1 5   11  22 f 118.7659 25.59502 365.1384       141.0412 445.2173       159.4398 76.99589       302.4417 131.1873 26.33722 93.13014 39.39890 38.05716       47.39117 
1 1 1 5   11  23 o 168.2701 20.96142 709.0994       164.9844 511.3511       262.6045 838.0526       212.0616 136.4155 38.56104 181.4570 25.11719 -45.04152      46.01985 
1 1 1 5   11  24 o 304.4221 15.47833 2263.658       224.5334 2061.928       284.2787 2598.216       366.0956 288.0380 20.78339 321.5187 23.98952 -33.48071      31.74029 
1 1 1 5   11  25 o 277.2681 15.06173 1879.429       198.9067 2055.175       264.6874 1651.422       301.4843 287.9450 19.33932 254.8890 25.06415 33.05594       31.65787 
1 1 1 5   11  26 o 78.34518 26.46671 149.6640       117.6846 52.67759       145.3722 334.0871       200.4627 67.75819 27.88013 111.1905 34.29979 -43.43233      44.20155 
1 1 1 5   11  27 o 170.8194 26.55582 762.0272       209.8301 907.0601       265.1383 518.9479       343.2523 183.8453 31.28510 133.1820 45.19944 50.66330       54.97042 
1 1 1 5   11  28 o 247.3620 15.73924 1508.760       185.1683 1755.361       250.5067 1211.732       274.9291 264.4961 19.95757 215.0305 27.36198 49.46555       33.86713 
1 1 1 5   11  29 o 148.3198 25.55244 577.9306       174.6535 310.3567       280.3777 747.5920       223.2612 108.8034 40.42552 167.1380 28.99072 -58.33457      49.74620 
1 1 1 5   11  30 o 315.9334 15.98258 2468.537       240.6234 2255.735       329.0228 2713.215       352.8065 296.3750 23.41073 325.7434 22.79833 -29.36841      32.67761 
1 1 1 5   11  31 o 234.1003 19.48254 1392.478       216.0753 1331.172       336.5087 1435.488       281.8569 217.1098 33.49592 232.7333 25.76241 -15.62355      42.25729 
1 1 1 5   11  32 o 134.1557 27.99605 499.4207       173.7487 710.6633       197.2098 -233.3184      367.2929 161.8365 26.39756 77.04562 36.62322 84.79086       45.14523 
1 1 1 5   11  33 o 116.1823 30.77575 392.4721       173.6412 424.1791       195.7791 275.5754       375.9156 119.2892 33.14364 103.2490 43.81282 16.04018       54.93691 
1 1 1 5   11  34 f 187.4006 23.02547 945.9724       201.9635 826.8109       234.0308 1293.621       399.7375 168.6869 30.12451 192.9853 44.26849 -24.29834      53.54610 
1 1 1 5   11  35 o 112.9346 38.32504 454.5270       246.7810 349.9577       338.2554 573.5267       360.8406 99.54428 41.86497 116.7921 45.27368 -17.24780      61.66345 
1 1 1 5   11  36 o 92.46806 32.52608 282.0085       178.3799 401.1120       211.2916 -13.49862      332.8158 106.5442 35.45701 75.57040 35.60391 30.97378       50.24776 
1 1 1 5   11  37 o 70.84256 30.07120 125.0081       177.1859 118.4082       209.0204 141.8612       334.0100 72.15173 31.63812 79.21187 36.77394 -7.060143      48.51076 
1 1 1 5   11  38 o 105.7876 33.64600 434.2953       191.4029 428.0669       229.4542 448.5438       347.0505 98.92770 36.60503 91.24986 40.35940 7.677841       54.48678 
1 1 1 5   12  0  o 168.2446 9.624879 680.3831       77.09549 694.3187       108.6461 666.2491       109.4170 169.5178 13.51762 165.9798 13.91664 3.537994       19.40101 
1 1 1 5   12  1  o 323.1923 7.155475 2500.006       110.5625 2645.950       159.1511 2363.874       153.7089 332.1421 10.03403 313.8978 10.25618 18.24432       14.34821 
1 1 1 5   12  2  o 536.2935 9.317986 6889.657       238.9092 7029.827       681.1858 6869.996       255.1145 537.0706 26.61219 535.4467 9.965764 1.623962       28.41698 
1 1 1 5   12  3  o 529.9329 10.39949 6730.714       263.4762 0.000000       0.000000 6730.714       263.4762 ?        ?        529.9329 10.39949 0.000000       10.39949 
1 1 1 5   12  4  o 501.8598 9.411344 6033.705       225.8096 0.000000       0.000000 6033.705       225.8096 ?        ?        501.8598 9.411344 0.000000       9.411344 
1 1 1 5   12  5  o 50.53539 14.19681 63.01901       35.70914 0.000000       0.000000 63.01901       35.70914 ?        ?        50.53539 14.19681 0.000000       14.19681 
1 1 1 5   12  6  o 289.9134 9.080610 2015.290       125.7060 0.000000       0.000000 2015.290       125.7060 ?        ?        289.9134 9.080610 0.000000       9.080610 
1 1 1 5   12  7  o 181.2056 9.605016 788.9645       82.91327 0.000000       0.000000 788.9645       82.91327 ?        ?        181.2056 9.605016 0.000000       9.605016 
1 1 1 5   12  8  o 230.8107 9.293734 1278.424       102.3447 975.1736       180.5792 1421.928       124.2222 200.1349 19.10436 243.2929 10.70597 -43.15804      21.89965 
1 1 1 5   12  9  o 437.3793 13.26725 4598.957       277.1055 4194.897       477.8686 4803.657       340.1305 414.9539 24.19290 446.4558 15.96093 -31.50195      28.98358 
1 1 1 5   12  10 o 190.7019 11.27491 875.4646       102.3373 584.9282       130.0806 1347.356       165.7804 154.7251 17.91573 236.2364 14.75201 -81.51134      23.20765 
1 1 1 5   12  11 o 152.8766 11.75350 564.2282       85.24567 427.7476       111.4792 756.4042       132.2843 131.9275 18.15556 176.5369 15.84170 -44.60941      24.09530 
1 1 1 5   12  12 o 503.2964 18.27898 6126.678       439.0988 6023.937       619.4551 6230.436       622.5151 496.0089 26.21542 504.6067 25.89064 -8.597778      36.84527 
1 1 1 5   12  13 o 129.2761 15.13283 407.9778       91.76118 443.0477       126.0308 368.4138       133.8628 133.7449 20.35109 120.9383 23.99920 12.80659       31.46631 
1 1 1 5   12  14 o 219.6920 12.35658 1163.946       129.2608 1177.267       174.0048 1147.543       193.0853 220.1688 16.65443 216.8859 18.80698 3.282928       25.12116 
1 1 1 5   12  15 o 91.76870 22.18419 213.4254       96.24475 162.5816       143.4099 255.0917       129.8233 84.54286 29.20050 100.0830 26.65681 -15.54018      39.53802 
1 1 1 5   12  16 o 197.5640 13.23402 944.5351       124.2785 986.4822       172.1103 898.8353       179.6443 200.8785 18.11557 191.2158 19.94366 9.662643       26.94297 
1 1 1 5   12  17 o 191.3220 14.96244 889.9589       135.7719 1350.786       212.0980 570.0195       176.7264 234.8701 19.05208 150.1147 25.53835 84.75546       31.86203 
1 1 1 5   12  18 o 424.6599 16.61155 4382.857       336.6054 4770.311       473.2484 3986.152       478.8652 440.0428 22.57040 400.7279 25.12152 39.31485       33.77149 
1 1 1 5   12  19 f 158.9959 15.79887 619.2643       118.5066 814.0127       156.4639 357.2188       181.4954 181.8338 18.24453 116.6967 31.71088 65.13712       36.58473 
1 1 1 5   12  20 o 240.8625 15.25961 1413.982       174.8166 1393.316       215.9728 1453.251       297.7097 237.7820 19.16027 239.7403 26.41138 -1.958344      32.62938 
1 1 1 5   12  21 f 69.99979 24.84972 108.7745       104.3092 105.4471       131.9570 114.3168       170.3038 73.27167 27.62813 79.79964 31.05568 -6.527977      41.56644 
1 1 1 5   12  22 f 89.11734 24.94069 204.9622       110.4296 241.1953       139.5700 144.3108       180.5759 96.39742 28.38012 84.68047 32.23003 11.71695       42.94423 
1 1 1 5   12  23 o 313.2832 15.34977 2396.811       229.2045 2649.951       313.3746 2105.614       336.1061 326.9982 20.14295 288.8404 24.57247 38.15778       31.77333 
1 1 1 5   12  24 o 245.7601 15.48793 1479.795       181.0501 1684.582       242.5699 1222.216       272.0446 260.4082 19.62830 218.0824 26.64490 42.32582       33.09412 
1 1 1 5   12  25 o 100.1936 26.96660 265.4453       132.0054 231.4620       168.2781 319.8124       212.8451 95.01608 31.64338 109.2649 35.54947 -14.24879      47.59273 
1 1 1 5   12  26 o 187.8639 26.09220 916.6100       228.0314 1146.382       292.9534 563.3702       363.2326 207.6565 30.40941 137.6062 46.49780 70.05034       55.55877 
1 1 1 5   12  27 o 345.5328 16.60936 2948.301       273.5752 3758.381       378.4774 2061.932       395.8978 387.0183 20.52846 278.6821 30.19621 108.3362       36.51340 
1 1 1 5   12  28 o 117.4464 24.32201 363.1897       132.0695 257.2418       165.0416 551.8292       220.2235 97.98461 31.25216 140.7851 33.25267 -42.80050      45.63374 
1 1 1 5   12  29 o 190.9399 20.21478 924.4614       181.7338 1041.219       208.4169 554.0455       371.2229 201.7406 21.96298 133.6521 46.92922 68.08850       51.81432 
1 1 1 5   12  30 o 119.8017 29.01309 398.4076       164.3901 512.4924       184.1339 -49.63113      364.9033 136.1843 29.16051 86.40918 39.50148 49.77512       49.09890 
1 1 1 5   12  31 o 113.9082 26.74619 358.1651       143.1507 499.7548       186.4043 154.6161       223.4985 132.9807 30.03195 85.91150 34.86473 47.06923       46.01595 
1 1 1 5   12  32 o 53.36897 25.33841 -161.5593      174.7802 34.91974       296.1514 -266.5686      216.5057 82.24908 36.77399 55.37885 26.78555 26.87024       45.49497 
1 1 1 5   12  33 o 81.48714 29.20322 179.0164       144.3950 -18.16193      186.1929 476.5406       228.7150 64.38331 28.94295 122.3788 36.40729 -57.99552      46.51006 
1 1 1 5   12  34 o 62.10380 26.83760 37.96249       145.8439 -67.40777      188.8147 193.8173       229.6343 59.90419 27.75451 85.16748 35.04177 -25.26329      44.70166 
1 1 1 5   12  35 o 76.27307 31.82713 142.2679       193.1735 534.7010       334.5370 -54.03541      236.6057 111.8291 43.52464 65.62012 30.62712 46.20896       53.22043 
1 1 1 5   12  36 o 67.32899 28.37049 98.87911       155.8096 168.4276       204.8695 3.461626       239.9647 77.31404 32.55225 67.47401 31.27114 9.840027       45.13904 
1 1 1 5   12  37 o 57.41613 25.68424 29.06402       144.6643 -6.021641      204.7107 64.06444       204.4619 61.30104 28.57030 65.88800 29.90562 -4.586960      41.35950 
1 1 1 5   13  0  o 493.8382 17.72710 5891.197       417.8549 5924.107       590.6514 5858.224       591.2212 492.6264 25.16206 489.8033 25.33368 2.823090       35.70608 
1 1 1 5   13  1  o 622.8366 6.536568 9284.614       194.6401 9711.372       330.2429 9057.464       240.9352 636.2988 10.85585 614.9532 8.195015 21.34552       13.60176 
1 1 1 5   13  2  f 593.2580 10.59432 8440.345       300.4866 0.000000       0.000000 8440.345       300.4866 ?        ?        593.2580 10.59432 0.000000       10.59432 
1 1 1 5   13  3  o 378.4570 14.52899 3449.445       262.3935 0.000000       0.000000 3449.445       262.3935 ?        ?        378.4570 14.52899 0.000000       14.52899 
1 1 1 5   13  4  o 360.7442 14.00430 3132.979       241.0701 0.000000       0.000000 3132.979       241.0701 ?        ?        360.7442 14.00430 0.000000       14.00430 
1 1 1 5   13  5  o 206.2312 9.203672 1021.204       90.51662 0.000000       0.000000 1021.204       90.51662 ?        ?        206.2312 9.203672 0.000000       9.203672 
1 1 1 5   13  6  o 272.3354 10.81838 1781.847       140.5755 0.000000       0.000000 1781.847       140.5755 ?        ?        272.3354 10.81838 0.000000       10.81838 
1 1 1 5   13  7  o 318.7284 13.21978 2445.498       201.0062 0.000000       0.000000 2445.498       201.0062 ?        ?        318.7284 13.21978 0.000000       13.21978 
1 1 1 5   13  8  o 379.5725 14.71783 3472.828       266.5773 0.000000       0.000000 3472.828       266.5773 ?        ?        379.5725 14.71783 0.000000       14.71783 
1 1 1 5   13  9  o 142.9516 9.515680 492.1125       64.66325 492.7372       104.6216 491.7263       82.25571 142.1556 15.65266 142.5601 12.18541 -0.4044342     19.83658 
1 1 1 5   13  10 o 217.8203 9.901437 1140.413       102.8413 1133.387       167.7347 1144.645       130.1805 216.1271 16.35463 217.8640 12.55145 -1.736969      20.61584 
1 1 1 5   13  11 o 194.1591 11.86027 909.2399       109.5680 1006.736       147.6056 789.5898       163.5184 203.7711 15.26225 179.4859 19.36184 24.28526       24.65395 
1 1 1 5   13  12 o 581.6514 20.87631 8239.634       579.5888 8598.107       817.2316 7876.863       822.1149 589.0984 29.10690 562.6985 30.67566 26.39984       42.28720 
1 1 1 5   13  13 o 569.0953 11.07177 7783.056       301.2384 8066.681       331.7778 6451.712       718.8196 579.1095 11.98335 509.1335 29.65954 69.97604       31.98889 
1 1 1 5   13  14 o 380.4276 15.40750 3503.505       279.6489 4103.932       393.3230 2889.703       397.6795 410.0118 20.12676 342.1259 24.47469 67.88596       31.68749 
1 1 1 5   13  15 o 140.3049 14.05861 479.8730       93.03361 578.1339       118.8721 324.5446       149.4566 153.6303 16.43960 112.1826 27.96558 41.44770       32.43970 
1 1 1 5   13  16 o 402.2836 10.93391 3896.879       210.0939 4119.130       243.7708 3255.062       414.2533 413.1911 12.35408 362.5493 24.03529 50.64175       27.02440 
1 1 1 5   13  17 o 324.4521 14.33889 2552.450       221.8709 2840.913       306.2630 2233.852       321.8637 340.5968 18.88202 300.3301 22.58173 40.26675       29.43578 
1 1 1 5   13  18 f 333.0772 13.72499 2689.309       218.0890 3255.846       344.4432 2310.204       281.7623 363.8419 19.87693 306.5567 19.32319 57.28519       27.72144 
1 1 1 5   13  19 o 260.8898 13.50009 1652.325       167.8118 2148.361       238.0029 1161.927       236.6463 296.3538 16.86788 215.2164 23.37432 81.13747       28.82507 
1 1 1 5   13  20 o 661.4527 12.18389 10575.27       385.2949 10784.88       417.9286 9388.168       994.5892 667.4030 13.09802 599.1785 34.87064 68.22455       37.24943 
1 1 1 5   13  21 o 241.9710 15.22515 1430.473       175.2372 1207.841       243.5284 1669.531       252.3526 218.9125 23.64328 259.2747 20.52555 -40.36220      31.30979 
1 1 1 5   13  22 o 133.3863 19.39670 446.9562       120.0718 501.3536       152.2872 357.5734       195.2097 139.9181 23.60476 115.3085 33.45703 24.60961       40.94579 
1 1 1 5   13  23 o 186.8796 19.07429 870.0719       168.0322 1167.779       249.7965 624.0286       227.0899 213.9617 24.88350 152.2970 32.19719 61.66472       40.69211 
1 1 1 5   13  24 o 221.2667 17.57906 1212.464       184.4327 1568.103       264.9901 878.3268       256.8546 249.1849 22.48496 181.6974 30.65852 67.48753       38.01997 
1 1 1 5   13  25 f 171.1290 18.24306 731.9796       146.9567 815.0098       187.5515 599.9296       236.5220 178.7674 22.43738 147.0527 34.27824 31.71468       40.96869 
1 1 1 5   13  26 o 116.9454 25.48246 362.3176       138.4369 514.6421       175.6034 112.2043       225.0176 139.0277 27.39412 84.61398 34.73729 54.41373       44.23932 
1 1 1 5   13  27 o 202.3375 20.17931 1033.492       192.6048 1166.713       222.2825 632.1243       385.8260 214.0300 22.03775 142.3894 47.92188 71.64055       52.74627 
1 1 1 5   13  28 o 199.9000 18.80758 1005.280       177.6320 1224.580       240.9053 743.9871       262.9601 217.8877 23.49738 162.1432 34.95266 55.74448       42.11669 
1 1 1 5   13  29 o 328.5645 16.77712 2694.038       262.6675 2988.145       361.0870 2363.499       382.7990 340.6911 22.29126 297.7447 27.19150 42.94644       35.16075 
1 1 1 5   13  30 o 138.1869 28.27748 529.6157       180.5164 586.6099       277.4375 487.7726       237.7179 136.5906 39.95871 126.6374 36.97141 9.953163       54.43880 
1 1 1 5   13  31 o 95.24759 30.54626 258.3510       157.5060 342.7938       174.0358 -123.9012      370.2816 108.2680 31.64118 81.03444 37.98115 27.23357       49.43412 
1 1 1 5   13  32 o 89.95338 35.78500 211.7006       230.5204 277.7492       291.0368 100.5000       377.6330 98.60222 39.86858 90.82010 40.98835 7.782120       57.17997 
1 1 1 5   13  33 o 66.87156 27.46964 85.15946       140.8191 205.8460       179.7954 -106.3536      226.4897 84.78439 32.18599 62.97183 29.57530 21.81255       43.71083 
1 1 1 5   13  34 o 131.5126 26.11378 506.4084       158.3974 744.6783       206.1919 163.3377       247.4166 157.5943 28.41171 81.37303 35.05865 76.22127       45.12576 
1 1 1 5   13  35 o 69.72172 30.36551 90.33855       189.7126 -101.1335      320.8545 193.2595       235.2379 69.62866 33.40453 81.16443 34.55791 -11.53577      48.06362 
1 1 1 5   13  36 o 82.79165 30.51446 238.3642       159.1797 204.8055       202.5172 292.6108       257.4811 78.13645 32.59493 85.60267 36.28969 -7.466217      48.77880 
1 1 1 5   14  0  o 276.2922 7.686557 1830.401       101.4347 1541.678       203.6668 1925.641       116.9745 251.9885 17.00521 283.2811 8.647170 -31.29259      19.07749 
1 1 1 5   14  1  o 328.2269 7.910174 2581.458       124.1277 2200.035       269.2668 2684.386       139.8766 300.7769 18.81966 334.5033 8.754063 -33.72632      20.75604 
1 1 1 5   14  2  o 393.4697 14.79889 3736.667       277.8907 0.000000       0.000000 3736.667       277.8907 ?        ?        393.4697 14.79889 0.000000       14.79889 
1 1 1 5   14  3  o 234.3521 11.21281 1322.057       125.2651 0.000000       0.000000 1322.057       125.2651 ?        ?        234.3521 11.21281 0.000000       11.21281 
1 1 1 5   14  4  o 162.2252 10.56266 634.3942       81.47641 0.000000       0.000000 634.3942       81.47641 ?        ?        162.2252 10.56266 0.000000       10.56266 
1 1 1 5   14  5  o 375.9218 10.49937 3395.012       188.5140 0.000000       0.000000 3395.012       188.5140 ?        ?        375.9218 10.49937 0.000000       10.49937 
1 1 1 5   14  6  o 433.2218 10.59288 4506.113       219.3980 0.000000       0.000000 4506.113       219.3980 ?        ?        433.2218 10.59288 0.000000       10.59288 
1 1 1 5   14  7  o 179.3091 10.51321 774.5964       89.72976 0.000000       0.000000 774.5964       89.72976 ?        ?        179.3091 10.51321 0.000000       10.51321 
1 1 1 5   14  8  o 403.8394 15.60444 3943.602       300.7096 0.000000       0.000000 3943.602       300.7096 ?        ?        403.8394 15.60444 0.000000       15.60444 
1 1 1 5   14  9  o 165.7267 10.86869 662.6856       85.63962 0.000000       0.000000 662.6856       85.63962 ?        ?        165.7267 10.86869 0.000000       10.86869 
1 1 1 5   14  10 o 310.8235 10.79479 2324.381       160.1683 2313.709       273.6410 2329.943       197.5434 308.1509 18.66164 310.6729 13.33100 -2.521912      22.93409 
1 1 1 5   14  11 o 223.7529 9.470676 1204.023       101.0822 1333.813       170.1968 1133.293       125.6415 234.4364 15.26818 216.6372 12.17992 17.79912       19.53120 
1 1 1 5   14  12 o 152.8548 12.43934 566.5153       90.11922 586.3918       117.7340 538.3912       140.0459 154.8000 16.14530 147.2142 20.44952 7.585754       26.05482 
1 1 1 5   14  13 o 255.4468 11.15185 1573.260       135.8652 1614.583       171.6216 1503.879       222.3769 258.1685 13.95655 247.7564 18.91703 10.41214       23.50828 
1 1 1 5   14  14 o 308.4094 13.59911 2302.417       200.0218 2197.071       277.9226 2415.619       288.0989 299.2775 19.53082 313.9630 19.28660 -14.68552      27.44861 
1 1 1 5   14  15 o 157.9574 16.45854 612.6851       122.4700 675.7004       193.5974 570.6426       158.1325 163.0832 25.67848 150.6043 22.66397 12.47893       34.24968 
1 1 1 5   14  16 o 196.3761 13.44312 937.1570       125.4497 892.6930       171.2239 988.6856       184.3249 190.0588 19.10257 199.9634 19.52944 -9.904633      27.31862 
1 1 1 5   14  17 o 363.0168 11.29818 3181.681       195.8459 3319.331       232.2368 2842.770       364.4054 370.1495 13.14424 338.0592 22.67792 32.09030       26.21181 
1 1 1 5   14  18 o 308.9908 13.10222 2315.340       193.1132 2077.193       266.0887 2580.366       280.7036 290.2141 19.28728 324.1223 18.18764 -33.90817      26.51018 
1 1 1 5   14  19 o 292.3974 13.80516 2078.334       192.4399 2139.202       260.3103 2004.977       285.7704 294.6956 18.57049 283.9966 21.20023 10.69904       28.18355 
1 1 1 5   14  20 o 217.2779 14.36305 1152.399       148.3637 1098.509       196.4434 1223.953       226.3581 210.1743 19.78278 221.1025 21.69273 -10.92822      29.35870 
1 1 1 5   14  21 o 51.15804 22.96887 -44.96380      116.8538 -37.14965      127.7241 -85.09724      289.4579 54.51678 24.27721 79.31437 35.83215 -24.79758      43.28193 
1 1 1 5   14  22 o 251.2290 14.95122 1545.403       178.7664 1833.519       239.2543 1181.260       268.9754 272.0545 18.50497 213.8411 26.90362 58.21344       32.65331 
1 1 1 5   14  23 o 63.77184 25.95818 52.02377       124.3340 121.4986       134.6252 -350.9807      324.2409 75.25565 28.00237 70.45921 33.74381 4.796448       43.84949 
1 1 1 5   14  24 o 194.1426 16.82776 934.8968       154.6499 1295.536       200.5880 406.3532       242.8335 227.9075 18.57014 120.1120 37.86004 107.7955       42.16910 
1 1 1 5   14  25 o 96.12747 28.67614 247.0794       141.7404 342.7271       154.0078 -282.5692      362.4094 112.5447 28.57541 77.54922 36.72127 34.99544       46.52962 
1 1 1 5   14  26 o 355.4185 16.79654 3126.576       284.6018 3659.794       387.2098 2500.032       419.7296 380.6416 21.36329 307.6302 28.87617 73.01135       35.91968 
1 1 1 5   14  27 f 72.90561 30.57066 60.31466       179.5340 317.0229       279.5016 -119.9984      234.2491 108.2648 40.33588 67.28152 31.08146 40.98332       50.92191 
1 1 1 5   14  28 o 114.2172 30.33820 367.9631       168.4467 428.0188       185.9418 93.12016       397.7791 122.6155 31.54058 96.41229 42.89418 26.20324       53.24208 
1 1 1 5   14  29 o 190.7557 17.43578 920.4928       157.2547 890.5779       194.4993 976.9595       267.2207 184.3117 22.54133 186.2450 31.10714 -1.933365      38.41570 
1 1 1 5   14  30 o 188.4323 18.08283 906.3308       160.9063 904.5919       201.0201 909.4319       268.4452 184.5309 23.30445 176.7399 32.98247 7.790909       40.38491 
1 1 1 5   14  31 o 248.5764 16.51795 1566.707       195.1882 1562.486       253.3147 1572.875       306.2278 242.9420 22.04960 237.6673 27.45464 5.274750       35.21281 
1 1 1 5   14  32 o 50.06842 23.17351 -66.27142      131.1232 -140.4068      160.5899 82.01367       227.1195 50.71432 24.13792 75.47121 33.03961 -24.75688      40.91766 
1 1 1 5   14  33 o 129.1867 28.32094 504.9088       170.0842 381.4435       187.9947 1061.820       399.2693 106.9339 33.25457 154.6449 48.51943 -47.71101      58.82177 
1 1 1 5   14  34 o 84.79646 30.99433 232.4117       163.6829 274.9091       179.1036 17.01488       403.2209 90.16801 32.49805 79.13426 37.82574 11.03374       49.86893 
1 1 1 5   14  35 o 69.03042 31.83524 60.15415       244.2468 39.05580       303.4715 98.95544       411.5445 71.36652 33.73674 77.82145 37.46292 -6.454926      50.41466 
1 1 1 5   15  0  o 514.4387 14.53170 6397.871       357.0451 5981.045       616.1899 6608.560       438.0841 491.1382 26.33867 521.4927 17.59638 -30.35443      31.67583 
1 1 1 5   15  1  o 79.28643 9.261279 152.9317       34.44527 172.0730       52.29191 138.2604       45.78079 83.42287 13.57766 74.63193 13.31938 8.790939       19.01996 
1 1 1 5   15  2  o 310.0043 12.98354 2320.098       192.0024 0.000000       0.000000 2320.098       192.0024 ?        ?        310.0043 12.98354 0.000000       12.98354 
1 1 1 5   15  3  o 335.6407 13.83793 2722.484       221.5755 0.000000       0.000000 2722.484       221.5755 ?        ?        335.6407 13.83793 0.000000       13.83793 
1 1 1 5   15  4  o 296.6007 12.70835 2123.287       179.7885 0.000000       0.000000 2123.287       179.7885 ?        ?        296.6007 12.70835 0.000000       12.70835 
1 1 1 5   15  5  o 422.1651 15.60077 4317.158       314.3324 0.000000       0.000000 4317.158       314.3324 ?        ?        422.1651 15.60077 0.000000       15.60077 
1 1 1 5   15  6  o 287.3917 12.86827 1994.666       176.3599 0.000000       0.000000 1994.666       176.3599 ?        ?        287.3917 12.86827 0.000000       12.86827 
1 1 1 5   15  7  o 634.4340 10.27276 9673.993       311.5888 0.000000       0.000000 9673.993       311.5888 ?        ?        634.4340 10.27276 0.000000       10.27276 
1 1 1 5   15  8  o 355.0546 9.366190 3029.621       158.8499 0.000000       0.000000 3029.621       158.8499 ?        ?        355.0546 9.366190 0.000000       9.366190 
1 1 1 5   15  9  o 346.8171 9.409781 2891.389       155.8788 0.000000       0.000000 2891.389       155.8788 ?        ?        346.8171 9.409781 0.000000       9.409781 
1 1 1 5   15  10 o 53.48950 16.02802 70.16179       44.20504 0.000000       0.000000 70.16179       44.20504 ?        ?        53.48950 16.02802 0.000000       16.02802 
1 1 1 5   15  11 o 134.0909 9.928162 434.6779       63.19531 532.1199       101.9344 373.8447       80.54124 147.5553 14.64262 123.5968 13.86920 23.95848       20.16831 
1 1 1 5   15  12 o 254.4448 8.321139 1556.025       101.0881 1456.565       202.1828 1589.176       116.7253 243.9249 17.45256 256.9310 9.519005 -13.00607      19.87972 
1 1 1 5   15  13 o 120.1913 20.09835 363.3013       111.4146 352.9481       134.5599 385.8751       198.6924 117.1188 24.80452 120.6712 33.33672 -3.552422      41.55239 
1 1 1 5   15  14 o 378.2775 15.13574 3480.125       273.1775 3502.416       379.4024 3456.128       393.6543 376.4390 21.16655 373.3540 22.15352 3.084991       30.63986 
1 1 1 5   15  15 o 324.1061 11.38086 2537.413       176.0743 2866.495       216.8423 1900.506       301.6686 343.8940 13.21356 275.8851 23.08283 68.00888       26.59728 
1 1 1 5   15  16 o 380.8289 15.61603 3535.520       283.7178 3759.938       396.0376 3298.916       406.6479 389.5054 21.34904 363.3901 23.53309 26.11533       31.77401 
1 1 1 5   15  17 o 179.2319 14.23006 784.6487       120.9354 895.3121       163.2652 650.1122       180.0162 190.3064 18.16464 159.7122 24.34433 30.59413       30.37435 
1 1 1 5   15  18 o 239.6908 14.58155 1402.281       166.3045 1566.532       212.3049 1141.447       267.5391 252.1769 17.72232 210.7867 27.18025 41.39015       32.44759 
1 1 1 5   15  19 o 81.05506 21.59481 169.1131       85.18415 161.3701       103.1472 185.7215       151.0653 79.81059 24.60107 87.25970 29.97659 -7.449112      38.77897 
1 1 1 5   15  20 o 278.9534 13.80430 1897.240       183.5284 1908.086       245.7086 1883.553       276.0252 277.5482 18.62494 274.3430 21.20947 3.205261       28.22641 
1 1 1 5   15  21 o 52.69983 21.63221 28.32347       87.24617 -8.841975      99.84703 148.3214       179.4124 50.70238 22.05636 84.12239 32.09992 -33.42001      38.94725 
1 1 1 5   15  22 o 161.0405 17.51559 646.7490       132.6853 577.0198       168.1434 761.8354       216.0155 149.1579 24.42351 170.2098 27.48143 -21.05188      36.76597 
1 1 1 5   15  23 o 205.9531 16.05847 1048.770       156.8689 1138.733       203.2766 916.3142       246.6551 212.6360 20.23977 185.8970 28.67398 26.73904       35.09766 
1 1 1 5   15  24 o 233.6275 15.82637 1347.647       175.7287 1438.882       228.6407 1215.969       274.6820 239.1055 20.18967 215.2925 27.29947 23.81299       33.95414 
1 1 1 5   15  25 o 316.2667 16.16917 2473.145       243.6720 2844.989       325.5079 1999.145       367.5110 336.0617 20.35520 274.9675 28.36286 61.09424       34.91112 
1 1 1 5   15  26 f 80.62501 33.82726 89.37001       220.0190 97.32922       266.5890 72.36780       389.6368 86.37696 36.78340 95.86378 42.56287 -9.486824      56.25492 
1 1 1 5   15  27 o 161.8844 20.80616 677.5020       157.3105 741.6118       195.2538 558.9071       265.5647 166.6353 25.30329 134.7746 38.99884 31.86069       46.48834 
1 1 1 5   15  28 o 67.37230 26.96565 82.40543       131.6949 142.8380       164.0911 -26.97469      220.7592 79.00569 30.55631 69.82996 31.44275 9.175735       43.84444 
1 1 1 5   15  29 o 93.54430 36.23781 235.0593       231.0631 287.0765       284.0621 133.3344       397.2406 100.7146 39.83338 95.37942 42.62130 5.335228       58.33758 
1 1 1 5   15  30 o 138.6273 24.68802 529.9129       157.6234 707.1451       197.3006 217.2281       262.0659 158.6355 26.97981 91.27164 37.48120 67.36382       46.18172 
1 1 1 5   15  31 o 106.8382 34.14021 373.2744       196.8818 288.1411       310.9981 430.2124       254.3367 95.36627 40.12736 110.0782 38.82857 -14.71196      55.83783 
1 1 1 5   15  32 o 72.83379 28.96719 136.0045       151.0128 172.5206       191.7767 76.40981       244.9951 79.33412 32.25880 74.55931 33.38347 4.774811       46.42290 
1 1 1 5   15  33 o 180.0468 25.21426 950.8415       211.0981 881.8167       319.7959 1004.144       281.0238 145.4734 42.99333 170.2659 35.66708 -24.79242      55.86203 
1 1 1 5   15  34 o 143.9842 23.71094 616.7560       157.5430 804.3600       196.6801 280.8831       263.1641 160.9929 26.47251 84.60891 36.30072 76.38400       44.92812 
1 1 1 5   16  0  o 46.54969 12.34438 54.12393       27.91688 24.26855       39.60276 83.61328       39.35924 38.96818 15.02739 57.66394 14.33767 -18.69576      20.76996 
1 1 1 5   16  1  o 177.5688 10.69135 761.6100       90.34234 0.000000       0.000000 761.6100       90.34234 ?        ?        177.5688 10.69135 0.000000       10.69135 
1 1 1 5   16  2  o 378.0576 10.56378 3442.219       190.7479 0.000000       0.000000 3442.219       190.7479 ?        ?        378.0576 10.56378 0.000000       10.56378 
1 1 1 5   16  3  o 187.4764 10.88919 848.9872       97.18015 0.000000       0.000000 848.9872       97.18015 ?        ?        187.4764 10.88919 0.000000       10.88919 
1 1 1 5   16  4  f 151.3830 10.22685 553.7609       73.58192 0.000000       0.000000 553.7609       73.58192 ?        ?        151.3830 10.22685 0.000000       10.22685 
1 1 1 5   16  5  o 302.0734 9.323844 2194.955       134.4917 0.000000       0.000000 2194.955       134.4917 ?        ?        302.0734 9.323844 0.000000       9.323844 
1 1 1 5   16  6  o 426.3294 9.632195 4369.943       196.3265 0.000000       0.000000 4369.943       196.3265 ?        ?        426.3294 9.632195 0.000000       9.632195 
1 1 1 5   16  7  o 231.0384 11.66801 1290.205       128.4639 0.000000       0.000000 1290.205       128.4639 ?        ?        231.0384 11.66801 0.000000       11.66801 
1 1 1 5   16  8  o 271.5685 12.18182 1783.381       157.7586 0.000000       0.000000 1783.381       157.7586 ?        ?        271.5685 12.18182 0.000000       12.18182 
1 1 1 5   16  9  o 144.3270 11.90720 505.9205       81.43073 0.000000       0.000000 505.9205       81.43073 ?        ?        144.3270 11.90720 0.000000       11.90720 
1 1 1 5   16  10 o 320.4528 9.221232 2470.902       141.1268 0.000000       0.000000 2470.902       141.1268 ?        ?        320.4528 9.221232 0.000000       9.221232 
1 1 1 5   16  11 o 99.10993 13.22918 241.6993       61.12019 0.000000       0.000000 241.6993       61.12019 ?        ?        99.10993 13.22918 0.000000       13.22918 
1 1 1 5   16  12 o 314.2668 8.623581 2375.206       129.4446 2746.985       283.5500 2277.327       145.4897 334.7866 17.77925 307.4200 9.911967 27.36664       20.35556 
1 1 1 5   16  13 o 152.2223 10.00000 560.3280       72.37270 806.6944       143.4237 476.1659       83.82789 181.1169 16.75339 139.7581 12.68394 41.35881       21.01329 
1 1 1 5   16  14 o 238.4889 12.71074 1380.224       144.4029 1423.422       192.5478 1324.696       218.3013 240.8680 16.82638 231.1209 19.95159 9.747147       26.09968 
1 1 1 5   16  15 o 84.72556 20.72591 184.3141       83.25014 165.0550       89.37357 310.5874       228.8477 80.26928 22.42741 109.5143 36.90741 -29.24500      43.18733 
1 1 1 5   16  16 o 208.4192 13.03734 1057.086       129.2571 1363.131       169.2850 629.2014       200.1653 236.1055 15.07574 155.2715 27.99390 80.83405       31.79523 
1 1 1 5   16  17 o 48.46998 20.88170 -2.719449      87.76646 -16.53945      110.3283 21.09921       144.8410 52.55146 23.01623 64.19829 27.21695 -11.64683      35.64420 
1 1 1 5   16  18 o 151.7640 18.19822 574.9022       129.4101 742.4434       149.0947 63.10454       260.5856 172.6582 18.34237 85.56062 36.39892 87.09761       40.75934 
1 1 1 5   16  19 o 131.2210 22.55973 442.7627       136.4284 691.8284       220.2296 287.6596       173.7917 161.2348 29.66259 103.6744 31.92876 57.56044       43.58113 
1 1 1 5   16  20 o 82.05214 27.36014 168.7490       125.7977 -24.72644      197.0188 301.9191       163.4550 68.74417 30.40694 105.7292 30.59663 -36.98502      43.13625 
1 1 1 5   16  21 o 53.43808 21.63099 35.94006       85.77926 0.6813519E-03  99.86481 137.0701       167.5202 51.66584 22.26665 80.97060 30.98812 -29.30476      38.15845 
1 1 1 5   16  22 o 283.4418 14.64607 1971.562       197.7962 2003.810       257.9185 1925.515       308.2025 283.1763 19.16386 274.4426 23.72231 8.733704       30.49593 
1 1 1 5   16  23 o 165.3658 16.55161 681.0228       129.0994 784.9164       155.2460 448.1190       232.4418 176.7202 18.65618 125.1343 36.56619 51.58599       41.05045 
1 1 1 5   16  24 o 251.1208 16.26340 1565.996       194.2050 2138.207       260.5908 851.1951       291.2550 291.8257 18.77752 171.9390 36.55809 119.8867       41.09853 
1 1 1 5   16  25 o 97.46919 32.12968 263.7608       173.6127 303.8797       261.9855 232.3480       231.8228 104.5618 39.03270 95.48608 36.47570 9.075706       53.42311 
1 1 1 5   16  26 o 181.1901 20.91654 849.8027       177.8671 958.9462       198.5762 406.8786       400.0303 191.7919 22.05765 115.5987 46.74132 76.19324       51.68453 
1 1 1 5   16  27 f 95.22538 28.04171 254.7888       136.2477 426.6876       168.9937 -64.46027      230.3027 122.4831 29.26115 68.41814 31.31639 54.06492       42.85944 
1 1 1 5   16  28 f 58.51117 25.48147 9.871141       133.5756 -13.15026      163.3323 56.36333       232.1112 61.51181 27.41896 76.50049 33.44756 -14.98868      43.24973 
1 1 1 5   16  29 o 93.35784 36.37129 260.1867       233.7920 476.5912       287.9755 -158.2044      400.4179 115.6908 41.26631 78.89747 37.70750 36.79334       55.89959 
1 1 1 5   16  30 o 162.0159 22.02302 719.4894       166.1736 747.1395       207.1281 669.5482       278.3686 158.9432 28.29499 135.3992 40.13661 23.54399       49.10758 
1 1 1 5   16  31 o 69.24712 30.33361 71.08608       191.7030 -165.3418      299.5991 234.9949       249.4551 66.51531 32.00591 86.78446 36.18695 -20.26915      48.31018 
1 1 1 5   16  32 o 98.02563 30.27816 320.8637       156.1498 232.0829       192.7597 490.3335       266.3192 83.42506 32.86971 107.9955 39.52530 -24.57040      51.40688 
1 1 1 5   16  33 o 101.7532 35.33665 419.3969       210.1383 394.5256       323.1609 437.6180       276.6024 90.33687 39.48236 96.39605 38.90637 -6.059181      55.43070 
1 1 1 5   17  0  o 325.4435 7.056166 2540.376       109.7874 2320.635       163.8112 2719.568       147.9268 310.0944 11.06721 336.2026 9.211852 -26.10822      14.39935 
1 1 1 5   17  1  o 198.2668 11.18547 950.5601       105.5960 0.000000       0.000000 950.5601       105.5960 ?        ?        198.2668 11.18547 0.000000       11.18547 
1 1 1 5   17  2  o 94.22787 11.89405 217.5635       52.39036 0.000000       0.000000 217.5635       52.39036 ?        ?        94.22787 11.89405 0.000000       11.89405 
1 1 1 5   17  3  o 84.72258 12.74455 177.1998       50.02417 0.000000       0.000000 177.1998       50.02417 ?        ?        84.72258 12.74455 0.000000       12.74455 
1 1 1 5   17  4  o 131.2089 12.32291 419.3332       76.39616 0.000000       0.000000 419.3332       76.39616 ?        ?        131.2089 12.32291 0.000000       12.32291 
1 1 1 5   17  5  o 152.9089 11.78986 567.5146       85.52342 0.000000       0.000000 567.5146       85.52342 ?        ?        152.9089 11.78986 0.000000       11.78986 
1 1 1 5   17  6  o 143.7967 10.65681 500.8713       72.74226 0.000000       0.000000 500.8713       72.74226 ?        ?        143.7967 10.65681 0.000000       10.65681 
1 1 1 5   17  7  o 147.8628 11.06869 530.0549       77.67842 0.000000       0.000000 530.0549       77.67842 ?        ?        147.8628 11.06869 0.000000       11.06869 
1 1 1 5   17  8  o 340.1042 9.438191 2785.056       153.3165 0.000000       0.000000 2785.056       153.3165 ?        ?        340.1042 9.438191 0.000000       9.438191 
1 1 1 5   17  9  o 470.7471 11.29792 5347.742       254.2697 0.000000       0.000000 5347.742       254.2697 ?        ?        470.7471 11.29792 0.000000       11.29792 
1 1 1 5   17  10 o 160.2008 11.31170 622.4869       86.07942 0.000000       0.000000 622.4869       86.07942 ?        ?        160.2008 11.31170 0.000000       11.31170 
1 1 1 5   17  11 o 254.3024 12.37103 1568.051       149.9545 0.000000       0.000000 1568.051       149.9545 ?        ?        254.3024 12.37103 0.000000       12.37103 
1 1 1 5   17  12 o 180.3426 11.43375 788.7205       98.07389 0.000000       0.000000 788.7205       98.07389 ?        ?        180.3426 11.43375 0.000000       11.43375 
1 1 1 5   17  13 o 218.5199 9.476921 1152.184       98.77175 1405.102       162.0511 1002.686       124.5894 240.0266 14.18485 202.9977 12.90433 37.02888       19.17633 
1 1 1 5   17  14 o 195.7260 9.043293 924.2894       84.39335 1217.893       153.6300 797.4011       100.9965 223.2168 14.47401 181.1789 11.72271 42.03784       18.62576 
1 1 1 5   17  15 o 201.9139 9.491893 984.8002       91.37135 1233.563       155.4135 853.3922       112.9553 224.5306 14.55633 187.1422 12.70009 37.38840       19.31784 
1 1 1 5   17  16 o 161.3922 15.48526 642.5777       118.0197 715.6284       157.3607 548.6584       178.4274 168.7782 19.88272 144.6463 26.78784 24.13193       33.36032 
1 1 1 5   17  17 o 383.0175 15.85503 3602.033       289.7036 3731.220       398.5526 3457.304       421.8446 385.4299 21.71661 368.9735 24.04480 16.45642       32.40005 
1 1 1 5   17  18 o 45.64558 19.53423 1.898613       75.85057 -26.72429      86.79480 94.41200       156.0412 44.98094 20.02291 74.22225 29.46946 -29.24131      35.62816 
1 1 1 5   17  19 o 276.1527 14.61544 1869.975       192.2739 2282.738       248.3101 1251.895       303.8546 303.7690 17.16777 217.0036 30.09723 86.76532       34.64932 
1 1 1 5   17  20 o 113.1504 26.52637 341.7710       140.9869 357.5238       224.3829 331.4946       181.2299 113.3835 36.46831 109.8782 32.33698 3.505379       48.74031 
1 1 1 5   17  21 o 219.6083 19.02618 1210.480       197.7913 1187.976       253.4585 1245.526       316.3047 213.7610 25.29031 214.1500 31.86354 -0.3890686     40.68028 
1 1 1 5   17  22 o 71.87450 28.55223 92.79504       146.5520 -55.36518      212.7169 226.6602       202.1948 68.03953 30.72982 94.25900 34.44890 -26.21947      46.16328 
1 1 1 5   17  23 o 88.23080 31.62985 201.1142       169.4031 197.4849       191.6630 214.0727       362.1634 89.09332 33.35980 101.8344 43.09901 -12.74112      54.50138 
1 1 1 5   17  24 o 50.15741 23.58933 -123.2942      144.9554 -85.12523      188.6592 -178.3007      226.4802 61.16055 28.12351 61.78994 29.19011 -0.6293907     40.53387 
1 1 1 5   17  25 o 244.8722 16.26574 1505.232       189.3446 1512.791       242.9458 1493.537       302.1948 241.4937 21.25920 233.9599 27.54419 7.533752       34.79419 
1 1 1 5   17  26 o 186.8512 20.87860 911.4833       183.3273 948.8124       205.2861 764.4633       407.4023 188.8537 23.22516 142.4503 49.21598 46.40343       54.42077 
1 1 1 5   17  27 o 121.4382 25.95353 415.1023       146.1105 374.9576       177.3819 499.8211       257.6827 111.2461 31.77463 122.0977 39.06199 -10.85168      50.35341 
1 1 1 5   17  28 o 79.30399 31.95090 159.0417       186.1799 553.4066       278.9866 -157.6063      249.9899 122.9428 40.73761 63.21580 30.09607 59.72704       50.64905 
1 1 1 5   17  29 o 81.76228 30.55445 198.2693       160.6212 159.1295       173.9625 424.4836       418.2216 77.27860 30.97132 101.8113 44.69490 -24.53270      54.37699 
1 1 1 5   17  30 o 76.61739 29.05284 171.4677       146.3951 97.21245       177.4828 329.5234       258.9392 69.82490 29.88142 94.49364 37.81478 -24.66875      48.19602 
1 1 1 5   17  31 o 92.37978 34.62013 324.1377       206.5109 449.7990       305.2970 218.1429       280.3910 98.41441 40.43895 81.55174 36.16289 16.86267       54.25000 
1 1 1 5   17  32 o 66.30797 28.10645 114.3783       154.4178 47.67866       185.3165 265.8872       279.3004 62.67922 28.45783 81.45792 36.10840 -18.77869      45.97461 
1 1 1 5   18  0  o 211.7512 10.04225 1082.762       101.3739 0.000000       0.000000 1082.762       101.3739 ?        ?        211.7512 10.04225 0.000000       10.04225 
1 1 1 5   18  1  o 185.4122 10.75218 831.9659       94.90211 0.000000       0.000000 831.9659       94.90211 ?        ?        185.4122 10.75218 0.000000       10.75218 
1 1 1 5   18  2  o 247.9322 11.81305 1488.804       139.6215 0.000000       0.000000 1488.804       139.6215 ?        ?        247.9322 11.81305 0.000000       11.81305 
1 1 1 5   18  3  o 85.59776 17.99715 185.9799       71.30948 0.000000       0.000000 185.9799       71.30948 ?        ?        85.59776 17.99715 0.000000       17.99715 
1 1 1 5   18  4  o 214.8031 9.808697 1113.647       100.4645 0.000000       0.000000 1113.647       100.4645 ?        ?        214.8031 9.808697 0.000000       9.808697 
1 1 1 5   18  5  f 163.7047 11.16391 649.9323       86.85191 0.000000       0.000000 649.9323       86.85191 ?        ?        163.7047 11.16391 0.000000       11.16391 
1 1 1 5   18  6  o 164.9211 11.32728 659.9515       88.76974 0.000000       0.000000 659.9515       88.76974 ?        ?        164.9211 11.32728 0.000000       11.32728 
1 1 1 5   18  7  o 196.6481 11.57331 937.7730       108.3257 0.000000       0.000000 937.7730       108.3257 ?        ?        196.6481 11.57331 0.000000       11.57331 
1 1 1 5   18  8  o 85.54285 13.56466 181.7871       53.62651 0.000000       0.000000 181.7871       53.62651 ?        ?        85.54285 13.56466 0.000000       13.56466 
1 1 1 5   18  9  o 216.1440 10.01405 1128.839       103.1999 0.000000       0.000000 1128.839       103.1999 ?        ?        216.1440 10.01405 0.000000       10.01405 
1 1 1 5   18  10 o 281.6511 13.35771 1930.601       179.3546 0.000000       0.000000 1930.601       179.3546 ?        ?        281.6511 13.35771 0.000000       13.35771 
1 1 1 5   18  11 o 103.2546 15.60477 265.9813       74.63167 0.000000       0.000000 265.9813       74.63167 ?        ?        103.2546 15.60477 0.000000       15.60477 
1 1 1 5   18  12 o 140.8065 11.88176 483.5380       79.23991 0.000000       0.000000 483.5380       79.23991 ?        ?        140.8065 11.88176 0.000000       11.88176 
1 1 1 5   18  13 f 42.92744 18.28740 2.885351       65.93684 0.000000       0.000000 2.885351       65.93684 ?        ?        42.92744 18.28740 0.000000       18.28740 
1 1 1 5   18  14 o 279.0281 10.49669 1884.345       139.7763 2274.149       239.1346 1682.056       172.2683 303.8763 16.52244 262.4263 13.77888 41.44992       21.51391 
1 1 1 5   18  15 o 232.3566 10.48489 1307.775       116.1734 1461.734       183.3180 1204.446       150.1808 243.6853 15.82054 221.7327 14.24225 21.95258       21.28688 
1 1 1 5   18  16 f 206.7570 9.396008 1033.416       92.63508 1056.853       176.6251 1024.523       108.7998 206.0329 18.11538 205.4054 11.12065 0.6275330      21.25643 
1 1 1 5   18  17 o 158.8940 14.59774 622.3907       109.6540 666.6873       133.7147 531.4318       191.6096 163.4964 17.37218 140.4507 29.47666 23.04568       34.21499 
1 1 1 5   18  18 o 154.7371 16.62028 596.6761       121.0286 649.3134       133.7299 358.3927       284.5304 161.0789 17.65414 114.1292 40.98272 46.94972       44.62345 
1 1 1 5   18  19 o 394.2374 16.71848 3852.085       314.3951 4224.560       432.2701 3433.773       458.0967 407.3595 22.28054 362.4669 26.62076 44.89267       34.71437 
1 1 1 5   18  20 o 177.0735 21.60328 807.8945       179.1049 967.8367       218.6605 481.8010       312.2194 192.2286 24.33734 125.1444 43.09138 67.08418       49.48912 
1 1 1 5   18  21 o 264.6164 15.38847 1738.773       193.8396 2028.506       266.7721 1414.712       282.1337 282.4297 19.88411 230.7621 26.02653 51.66763       32.75298 
1 1 1 5   18  22 o 104.1773 29.61095 306.3465       154.4185 531.3640       244.5945 157.2262       199.1164 132.2786 37.15380 84.24640 33.34046 48.03220       49.91984 
1 1 1 5   18  23 o 232.0316 16.07155 1350.146       177.1826 1484.286       234.9705 1173.336       269.7657 239.7313 20.70394 206.8251 28.00047 32.90617       34.82355 
1 1 1 5   18  24 f 87.24542 30.44036 208.9041       156.0339 83.94335       228.5496 317.9949       213.5442 78.78986 33.81710 103.1051 35.63140 -24.31529      49.12426 
1 1 1 5   18  25 o 219.4587 19.01924 1248.248       197.5831 1310.737       225.1469 1038.887       412.1109 222.6582 21.41418 164.5115 48.85312 58.14673       53.34036 
1 1 1 5   18  26 o 202.7045 17.88158 1067.497       171.5166 955.5222       212.3902 1277.421       290.8082 185.4467 24.55871 207.8450 30.14435 -22.39832      38.88203 
1 1 1 5   18  27 f 129.9363 25.08002 484.7211       150.1565 486.7768       181.2102 480.2170       268.2354 125.0317 30.57366 113.0503 39.87552 11.98141       50.24745 
1 1 1 5   18  28 o 73.09885 32.72116 72.56674       235.2079 277.7650       277.4722 -451.3451      443.3653 90.69030 38.01505 69.60915 34.57247 21.08115       51.38482 
1 1 1 5   18  29 o 46.57999 22.58206 -172.9551      156.1758 -235.4170      167.0307 261.2939       440.4109 45.53036 22.34758 87.65916 41.19244 -42.12880      46.86397 
1 1 1 5   18  30 o 138.5720 25.66772 592.4531       163.7870 525.0306       197.5433 740.7406       292.9627 119.7067 33.30501 126.2067 41.74279 -6.499977      53.40116 
1 1 1 5   19  0  o 207.3588 11.37372 1042.304       112.3226 0.000000       0.000000 1042.304       112.3226 ?        ?        207.3588 11.37372 0.000000       11.37372 
1 1 1 5   19  1  o 191.2472 10.52238 885.3186       95.83865 0.000000       0.000000 885.3186       95.83865 ?        ?        191.2472 10.52238 0.000000       10.52238 
1 1 1 5   19  2  o 93.40403 13.32680 215.8415       57.82580 0.000000       0.000000 215.8415       57.82580 ?        ?        93.40403 13.32680 0.000000       13.32680 
1 1 1 5   19  3  o 279.3697 9.706326 1883.493       129.4441 0.000000       0.000000 1883.493       129.4441 ?        ?        279.3697 9.706326 0.000000       9.706326 
1 1 1 5   19  4  o 99.35000 13.29689 243.7209       61.57335 0.000000       0.000000 243.7209       61.57335 ?        ?        99.35000 13.29689 0.000000       13.29689 
1 1 1 5   19  5  o 233.4626 11.98034 1323.210       133.2724 0.000000       0.000000 1323.210       133.2724 ?        ?        233.4626 11.98034 0.000000       11.98034 
1 1 1 5   19  6  o 160.3647 10.99781 624.3948       83.80813 0.000000       0.000000 624.3948       83.80813 ?        ?        160.3647 10.99781 0.000000       10.99781 
1 1 1 5   19  7  o 158.0013 12.78957 609.6152       95.78548 0.000000       0.000000 609.6152       95.78548 ?        ?        158.0013 12.78957 0.000000       12.78957 
1 1 1 5   19  8  o 229.3772 10.01409 1271.966       109.5525 0.000000       0.000000 1271.966       109.5525 ?        ?        229.3772 10.01409 0.000000       10.01409 
1 1 1 5   19  9  o 311.4293 13.56027 2363.516       201.4161 0.000000       0.000000 2363.516       201.4161 ?        ?        311.4293 13.56027 0.000000       13.56027 
1 1 1 5   19  10 o 192.8494 11.47394 903.4659       105.3104 0.000000       0.000000 903.4659       105.3104 ?        ?        192.8494 11.47394 0.000000       11.47394 
1 1 1 5   19  11 o 175.4116 12.52434 750.6215       104.3409 0.000000       0.000000 750.6215       104.3409 ?        ?        175.4116 12.52434 0.000000       12.52434 
1 1 1 5   19  12 o 65.37749 21.07217 105.0896       74.88984 0.000000       0.000000 105.0896       74.88984 ?        ?        65.37749 21.07217 0.000000       21.07217 
1 1 1 5   19  13 o 49.26662 19.53861 35.30150       68.51892 0.000000       0.000000 35.30150       68.51892 ?        ?        49.26662 19.53861 0.000000       19.53861 
1 1 1 5   19  14 o 296.3387 13.73129 2147.787       194.0108 0.000000       0.000000 2147.787       194.0108 ?        ?        296.3387 13.73129 0.000000       13.73129 
1 1 1 5   19  15 o 91.50237 20.36214 217.4904       86.78133 0.000000       0.000000 217.4904       86.78133 ?        ?        91.50237 20.36214 0.000000       20.36214 
1 1 1 5   19  16 o 122.3846 11.99211 368.0052       69.26694 277.0030       112.1577 424.1156       88.06942 102.2317 23.44754 130.7502 14.32293 -28.51848      27.47606 
1 1 1 5   19  17 o 290.1195 12.05885 2056.151       166.8951 2158.098       282.4057 2001.437       206.8890 291.5388 20.38991 284.3938 15.27231 7.144928       25.47532 
1 1 1 5   19  18 o 61.00740 16.86608 95.60462       50.83812 159.5775       100.1955 73.42522       58.99632 77.98682 24.28136 55.44500 18.73925 22.54182       30.67155 
1 1 1 5   19  19 f 285.8574 13.66415 2014.851       186.2005 1955.420       222.3371 2154.424       340.7245 279.4982 16.71526 285.4799 25.22354 -5.981628      30.25933 
1 1 1 5   19  20 o 80.32168 29.12981 162.1278       144.1833 329.7743       222.7323 41.20251       189.1667 105.9686 36.39933 71.16286 30.65738 34.80578       47.58977 
1 1 1 5   19  21 o 95.54375 29.49119 257.8358       148.1685 260.1561       227.1457 256.1173       195.4844 96.85792 36.30647 95.46970 34.00543 1.388214       49.74464 
1 1 1 5   19  22 o 124.4096 26.21641 430.6464       151.0053 589.9371       220.7634 290.5886       207.0072 140.4053 33.37995 99.08690 35.02294 41.31845       48.38210 
1 1 1 5   19  23 o 117.2126 27.26877 394.7328       149.9214 279.9969       202.8289 532.9117       222.5876 96.00196 34.58581 129.7749 35.05564 -33.77296      49.24506 
1 1 1 5   19  24 o 205.4140 17.49368 1093.621       170.1656 1053.846       188.9591 1264.269       391.3928 199.1860 20.11814 185.2507 44.70745 13.93529       49.02546 
1 1 1 5   19  25 o 62.70190 25.07968 82.89786       113.8404 94.70486       129.6172 43.06045       238.0883 66.13359 26.65410 72.47990 32.64321 -6.346306      42.14285 
1 1 1 5   19  26 f 42.19770 20.06544 -102.7632      110.4470 -88.95071      121.7248 -167.1132      262.7342 45.71040 21.53464 62.76479 30.14200 -17.05439      37.04431 
1 1 1 5   19  27 o 50.54962 23.86091 -89.71641      150.7726 -59.81506      159.1015 -353.0840      472.1828 53.90234 25.14373 71.44310 35.51610 -17.54076      43.51552 
1 1 1 5   19  28 o 52.57842 25.53973 -178.9025      202.3338 -431.4032      278.7120 102.4454       294.2024 53.12105 26.54592 74.15081 34.45468 -21.02976      43.49495 
1 1 1 5   20  0  o 159.2144 12.08584 619.0224       91.30848 0.000000       0.000000 619.0224       91.30848 ?        ?        159.2144 12.08584 0.000000       12.08584 
1 1 1 5   20  1  o 35.55519 16.37993 -46.45354      64.41779 0.000000       0.000000 -46.45354      64.41779 ?        ?        35.55519 16.37993 0.000000       16.37993 
1 1 1 5   20  2  o 174.2050 12.48125 741.0893       103.2618 0.000000       0.000000 741.0893       103.2618 ?        ?        174.2050 12.48125 0.000000       12.48125 
1 1 1 5   20  3  f 103.1853 15.58821 266.4241       74.50391 0.000000       0.000000 266.4241       74.50391 ?        ?        103.1853 15.58821 0.000000       15.58821 
1 1 1 5   20  4  o 206.5034 11.80258 1037.658       116.0379 0.000000       0.000000 1037.658       116.0379 ?        ?        206.5034 11.80258 0.000000       11.80258 
1 1 1 5   20  5  o 298.6759 9.757080 2156.387       139.1378 0.000000       0.000000 2156.387       139.1378 ?        ?        298.6759 9.757080 0.000000       9.757080 
1 1 1 5   20  6  o 206.0026 11.93681 1033.403       117.0591 0.000000       0.000000 1033.403       117.0591 ?        ?        206.0026 11.93681 0.000000       11.93681 
1 1 1 5   20  7  f 139.1412 12.52350 474.4340       82.41810 0.000000       0.000000 474.4340       82.41810 ?        ?        139.1412 12.52350 0.000000       12.52350 
1 1 1 5   20  8  o 327.3625 12.12636 2608.226       189.4596 0.000000       0.000000 2608.226       189.4596 ?        ?        327.3625 12.12636 0.000000       12.12636 
1 1 1 5   20  9  o 198.3288 10.71301 955.7191       101.2024 0.000000       0.000000 955.7191       101.2024 ?        ?        198.3288 10.71301 0.000000       10.71301 
1 1 1 5   20  10 o 215.7458 13.26086 1140.807       136.1191 0.000000       0.000000 1140.807       136.1191 ?        ?        215.7458 13.26086 0.000000       13.26086 
1 1 1 5   20  11 f 256.9139 10.31814 1601.769       126.4775 0.000000       0.000000 1601.769       126.4775 ?        ?        256.9139 10.31814 0.000000       10.31814 
1 1 1 5   20  12 o 51.14809 19.51150 48.63206       66.27376 0.000000       0.000000 48.63206       66.27376 ?        ?        51.14809 19.51150 0.000000       19.51150 
1 1 1 5   20  13 o 208.7610 12.51119 1067.731       124.2965 0.000000       0.000000 1067.731       124.2965 ?        ?        208.7610 12.51119 0.000000       12.51119 
1 1 1 5   20  14 o 128.0077 14.47476 408.0983       87.03179 0.000000       0.000000 408.0983       87.03179 ?        ?        128.0077 14.47476 0.000000       14.47476 
1 1 1 5   20  15 o 100.0050 17.76452 256.8514       81.82285 0.000000       0.000000 256.8514       81.82285 ?        ?        100.0050 17.76452 0.000000       17.76452 
1 1 1 5   20  16 o 65.15825 20.03876 108.9712       68.48452 0.000000       0.000000 108.9712       68.48452 ?        ?        65.15825 20.03876 0.000000       20.03876 
1 1 1 5   20  17 o 169.5208 11.50196 704.8771       92.66674 870.9464       195.3624 656.6658       105.2617 182.1076 22.94749 162.7483 13.65414 19.35928       26.70249 
1 1 1 5   20  18 o 81.72051 18.26325 174.8893       69.55598 580.7639       207.5757 123.5519       73.82397 142.0645 31.39870 68.71444 20.74067 73.35003       37.63049 
1 1 1 5   20  19 o 141.6674 13.72032 501.3473       91.76523 189.4559       306.0316 532.1610       96.19151 92.97756 39.49572 145.8813 13.96224 -52.90369      41.89101 
1 1 1 5   20  20 o 46.93837 19.61499 20.87501       73.53059 116.6748       266.0802 12.95408       76.51006 83.19316 36.09963 46.44600 19.73962 36.74716       41.14409 
1 1 1 5   20  21 o 203.6818 18.64965 1082.357       179.5931 1044.710       252.8283 1120.700       255.1536 189.8961 28.74674 197.9017 27.72742 -8.005630      39.93977 
1 1 1 5   20  22 o 101.0054 31.10367 319.5453       164.9306 220.1705       242.2151 405.4539       225.2069 87.68322 36.02348 108.7380 36.61253 -21.05473      51.36310 
1 1 1 5   20  23 f 231.0306 20.37992 1435.672       222.7970 1575.913       268.4230 1125.070       399.4707 237.1726 24.00270 162.8898 48.02835 74.28285       53.69220 
1 1 1 5   20  24 o 77.27276 30.59139 168.7858       167.6886 27.94183       227.7391 335.5725       247.8274 69.18343 31.46440 95.98009 37.43163 -26.79667      48.89924 
1 1 1 5   20  25 o 50.25359 22.61542 -9.173168      114.0258 -49.26914      126.7368 161.1757       261.2294 49.05233 22.73088 78.42692 34.83420 -29.37459      41.59465 
1 1 1 5   20  26 o 68.25183 26.93801 132.8986       129.6664 140.8487       134.3977 25.90980       493.0314 69.53485 27.43106 77.85954 38.25163 -8.324684      47.07069 
1 1 1 5   21  0  o 134.3069 16.73347 453.0375       105.1225 0.000000       0.000000 453.0375       105.1225 ?        ?        134.3069 16.73347 0.000000       16.73347 
1 1 1 5   21  1  o 117.6484 12.71438 341.5081       70.37898 0.000000       0.000000 341.5081       70.37898 ?        ?        117.6484 12.71438 0.000000       12.71438 
1 1 1 5   21  2  o 168.5203 12.65212 696.7565       101.1909 0.000000       0.000000 696.7565       101.1909 ?        ?        168.5203 12.65212 0.000000       12.65212 
1 1 1 5   21  3  f 98.41170 17.04113 246.4426       77.27522 0.000000       0.000000 246.4426       77.27522 ?        ?        98.41170 17.04113 0.000000       17.04113 
1 1 1 5   21  4  o 181.2790 12.10371 804.2106       104.2987 0.000000       0.000000 804.2106       104.2987 ?        ?        181.2790 12.10371 0.000000       12.10371 
1 1 1 5   21  5  o 126.0051 15.45280 396.9440       91.14360 0.000000       0.000000 396.9440       91.14360 ?        ?        126.0051 15.45280 0.000000       15.45280 
1 1 1 5   21  6  o 217.4042 12.03364 1155.464       124.5878 0.000000       0.000000 1155.464       124.5878 ?        ?        217.4042 12.03364 0.000000       12.03364 
1 1 1 5   21  7  o 291.4932 9.805669 2060.456       136.4568 0.000000       0.000000 2060.456       136.4568 ?        ?        291.4932 9.805669 0.000000       9.805669 
1 1 1 5   21  8  o 151.2350 10.68828 558.2043       76.78242 0.000000       0.000000 558.2043       76.78242 ?        ?        151.2350 10.68828 0.000000       10.68828 
1 1 1 5   21  9  o 46.02790 17.17043 41.79766       50.67994 0.000000       0.000000 41.79766       50.67994 ?        ?        46.02790 17.17043 0.000000       17.17043 
1 1 1 5   21  10 o 217.7703 11.14239 1157.309       115.6217 0.000000       0.000000 1157.309       115.6217 ?        ?        217.7703 11.14239 0.000000       11.14239 
1 1 1 5   21  11 o 99.64703 15.22248 250.7021       70.22292 0.000000       0.000000 250.7021       70.22292 ?        ?        99.64703 15.22248 0.000000       15.22248 
1 1 1 5   21  12 o 202.5293 13.54098 1013.151       130.3600 0.000000       0.000000 1013.151       130.3600 ?        ?        202.5293 13.54098 0.000000       13.54098 
1 1 1 5   21  13 o 234.6211 11.66899 1348.881       130.4799 0.000000       0.000000 1348.881       130.4799 ?        ?        234.6211 11.66899 0.000000       11.66899 
1 1 1 5   21  14 o 324.4725 10.76595 2571.488       166.7773 0.000000       0.000000 2571.488       166.7773 ?        ?        324.4725 10.76595 0.000000       10.76595 
1 1 1 5   21  15 o 99.99221 17.49657 259.2083       80.59763 0.000000       0.000000 259.2083       80.59763 ?        ?        99.99221 17.49657 0.000000       17.49657 
1 1 1 5   21  16 o 191.0742 15.00509 919.0453       135.9731 0.000000       0.000000 919.0453       135.9731 ?        ?        191.0742 15.00509 0.000000       15.00509 
1 1 1 5   21  17 o 215.4622 14.48545 1167.634       148.3475 0.000000       0.000000 1167.634       148.3475 ?        ?        215.4622 14.48545 0.000000       14.48545 
1 1 1 5   21  18 o 150.4248 17.58080 588.3325       124.0531 0.000000       0.000000 588.3325       124.0531 ?        ?        150.4248 17.58080 0.000000       17.58080 
1 1 1 5   21  19 o 84.62356 22.91489 201.7965       94.97017 589.3203       303.2812 159.6654       99.99952 124.0085 42.47807 75.48927 24.35152 48.51919       48.96308 
1 1 1 5   21  20 o 163.1097 14.19387 676.1964       109.5839 565.5411       323.4203 690.5477       116.4735 117.7610 43.47932 164.2853 14.99440 -46.52428      45.99221 
1 1 1 5   21  21 o 88.26904 24.58115 228.9217       107.5545 28.14625       325.1174 253.5948       113.9718 77.13107 35.96712 92.59311 25.11549 -15.46204      43.86823 
1 1 1 5   21  22 o 100.7266 33.92144 361.6703       193.3170 286.5434       299.1219 415.5565       253.3314 89.05823 38.46004 102.0718 38.32511 -13.01357      54.29539 
1 1 1 5   21  23 o 112.7809 32.74052 451.1971       186.8944 554.6087       264.3464 347.8446       264.2709 113.4356 39.61829 92.02105 37.69694 21.41458       54.68700 
1 1 1 5   21  24 o 60.56149 28.79696 -63.88019      227.4574 -22.16836      260.0423 -199.7330      469.2979 65.38975 31.00522 71.27621 35.42884 -5.886467      47.08000 
1 1 1 5   22  0  o 209.3914 15.15395 1098.308       150.6762 0.000000       0.000000 1098.308       150.6762 ?        ?        209.3914 15.15395 0.000000       15.15395 
1 1 1 5   22  1  o 121.7360 13.85409 371.0223       79.19870 0.000000       0.000000 371.0223       79.19870 ?        ?        121.7360 13.85409 0.000000       13.85409 
1 1 1 5   22  2  o 54.31522 17.88443 72.71686       53.79751 0.000000       0.000000 72.71686       53.79751 ?        ?        54.31522 17.88443 0.000000       17.88443 
1 1 1 5   22  3  o 107.7467 18.51185 301.5711       91.92383 0.000000       0.000000 301.5711       91.92383 ?        ?        107.7467 18.51185 0.000000       18.51185 
1 1 1 5   22  4  o 234.2130 13.81018 1361.260       153.9526 0.000000       0.000000 1361.260       153.9526 ?        ?        234.2130 13.81018 0.000000       13.81018 
1 1 1 5   22  5  o 103.8761 19.75140 283.7871       94.50539 0.000000       0.000000 283.7871       94.50539 ?        ?        103.8761 19.75140 0.000000       19.75140 
1 1 1 5   22  6  o 57.62564 22.88845 57.87418       94.16354 0.000000       0.000000 57.87418       94.16354 ?        ?        57.62564 22.88845 0.000000       22.88845 
1 1 1 5   22  7  o 46.38722 17.47527 42.61021       52.76663 0.000000       0.000000 42.61021       52.76663 ?        ?        46.38722 17.47527 0.000000       17.47527 
1 1 1 5   22  8  o 124.2663 46.32058 555.3277       368.6845 0.000000       0.000000 555.3277       368.6845 ?        ?        124.2663 46.32058 0.000000       46.32058 
1 1 1 5   22  9  o 22.30963 11.15316 -131.2876      49.42094 0.000000       0.000000 -131.2876      49.42094 ?        ?        22.30963 11.15316 0.000000       11.15316 
1 1 1 5   22  10 o 123.9452 14.20190 387.0302       82.63786 0.000000       0.000000 387.0302       82.63786 ?        ?        123.9452 14.20190 0.000000       14.20190 
1 1 1 5   22  11 o 159.2759 14.74046 639.7981       110.9725 0.000000       0.000000 639.7981       110.9725 ?        ?        159.2759 14.74046 0.000000       14.74046 
1 1 1 5   22  12 o 277.4237 10.45465 1888.204       138.4152 0.000000       0.000000 1888.204       138.4152 ?        ?        277.4237 10.45465 0.000000       10.45465 
1 1 1 5   22  13 o 210.9286 15.64192 1130.501       156.6145 0.000000       0.000000 1130.501       156.6145 ?        ?        210.9286 15.64192 0.000000       15.64192 
1 1 1 5   22  14 o 127.0905 15.18694 412.8295       90.45235 0.000000       0.000000 412.8295       90.45235 ?        ?        127.0905 15.18694 0.000000       15.18694 
1 1 1 5   22  15 o 103.0976 17.01806 278.6260       80.95757 0.000000       0.000000 278.6260       80.95757 ?        ?        103.0976 17.01806 0.000000       17.01806 
1 1 1 5   22  16 o 48.13614 21.99017 -41.16319      112.8342 0.000000       0.000000 -41.16319      112.8342 ?        ?        48.13614 21.99017 0.000000       21.99017 
1 1 1 5   22  17 o 111.8618 22.81651 353.2325       117.8832 0.000000       0.000000 353.2325       117.8832 ?        ?        111.8618 22.81651 0.000000       22.81651 
1 1 1 5   22  18 o 57.26921 24.32788 45.72849       116.1165 0.000000       0.000000 45.72849       116.1165 ?        ?        57.26921 24.32788 0.000000       24.32788 
1 1 1 5   22  19 o 84.02417 27.18929 220.8423       124.6032 0.000000       0.000000 220.8423       124.6032 ?        ?        84.02417 27.18929 0.000000       27.18929 
1 1 1 5   22  20 o 76.71202 22.40357 173.9591       87.27679 132.6896       150.0699 195.0518       107.2864 69.87605 28.49011 79.53346 25.17751 -9.657417      38.02096 
1 1 1 5   23  0  o 91.37659 21.00316 228.9917       89.83032 0.000000       0.000000 228.9917       89.83032 ?        ?        91.37659 21.00316 0.000000       21.00316 
1 1 1 5   23  1  o 24.80610 11.85932 -51.09811      39.67427 0.000000       0.000000 -51.09811      39.67427 ?        ?        24.80610 11.85932 0.000000       11.85932 
1 1 1 5   23  2  o 118.6942 16.99480 366.0813       93.69066 0.000000       0.000000 366.0813       93.69066 ?        ?        118.6942 16.99480 0.000000       16.99480 
1 1 1 5   23  3  o 89.97776 25.47343 231.7101       114.5090 0.000000       0.000000 231.7101       114.5090 ?        ?        89.97776 25.47343 0.000000       25.47343 
1 1 1 5   23  4  o 152.8177 16.50299 600.4966       118.6613 0.000000       0.000000 600.4966       118.6613 ?        ?        152.8177 16.50299 0.000000       16.50299 
1 1 1 5   23  5  o 139.7042 15.14412 497.3442       99.53330 0.000000       0.000000 497.3442       99.53330 ?        ?        139.7042 15.14412 0.000000       15.14412 
1 1 1 5   23  6  o 85.98331 26.64186 213.4057       120.7860 0.000000       0.000000 213.4057       120.7860 ?        ?        85.98331 26.64186 0.000000       26.64186 
1 1 1 5   23  7  o 57.51668 21.51144 75.37777       79.64755 0.000000       0.000000 75.37777       79.64755 ?        ?        57.51668 21.51144 0.000000       21.51144 
1 1 1 5   23  8  o 66.80537 17.65446 119.3669       57.22653 0.000000       0.000000 119.3669       57.22653 ?        ?        66.80537 17.65446 0.000000       17.65446 
1 1 1 5   23  9  o 135.2156 14.53693 466.0453       92.49980 0.000000       0.000000 466.0453       92.49980 ?        ?        135.2156 14.53693 0.000000       14.53693 
1 1 1 5   23  10 o 156.3308 14.94250 624.9916       110.3227 0.000000       0.000000 624.9916       110.3227 ?        ?        156.3308 14.94250 0.000000       14.94250 
1 1 1 5   23  11 o 183.6285 15.84672 869.9370       137.7596 0.000000       0.000000 869.9370       137.7596 ?        ?        183.6285 15.84672 0.000000       15.84672 
1 1 1 5   23  12 o 91.38985 19.13061 228.1991       80.90022 0.000000       0.000000 228.1991       80.90022 ?        ?        91.38985 19.13061 0.000000       19.13061 
1 1 1 5   23  13 o 43.14214 18.03320 20.11156       62.17324 0.000000       0.000000 20.11156       62.17324 ?        ?        43.14214 18.03320 0.000000       18.03320 
1 1 1 5   23  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   23  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -18 0  o 85.25506 26.28568 228.7502       117.7487 228.7502       117.7487 0.000000       0.000000 85.25506 26.28568 ?        ?        0.000000       26.28568 
1 1 1 6   -18 1  o 79.09571 27.20048 197.0822       124.3906 197.0822       124.3906 0.000000       0.000000 79.09571 27.20048 ?        ?        0.000000       27.20048 
1 1 1 6   -17 0  o 55.36072 22.11790 57.42027       88.43703 57.42027       88.43703 0.000000       0.000000 55.36072 22.11790 ?        ?        0.000000       22.11790 
1 1 1 6   -17 1  o 129.6929 17.91637 442.9074       108.1256 442.9074       108.1256 0.000000       0.000000 129.6929 17.91637 ?        ?        0.000000       17.91637 
1 1 1 6   -17 2  o 151.8958 16.18699 595.8463       115.7405 595.8463       115.7405 0.000000       0.000000 151.8958 16.18699 ?        ?        0.000000       16.18699 
1 1 1 6   -17 3  f 54.25868 20.69121 63.88463       74.51433 63.88463       74.51433 0.000000       0.000000 54.25868 20.69121 ?        ?        0.000000       20.69121 
1 1 1 6   -17 4  o 221.8253 13.81326 1242.935       145.7657 1242.935       145.7657 0.000000       0.000000 221.8253 13.81326 ?        ?        0.000000       13.81326 
1 1 1 6   -17 5  o 143.9293 17.00771 541.6730       114.7736 541.6730       114.7736 0.000000       0.000000 143.9293 17.00771 ?        ?        0.000000       17.00771 
1 1 1 6   -17 6  o 129.2892 19.41167 450.6074       116.2846 450.6074       116.2846 0.000000       0.000000 129.2892 19.41167 ?        ?        0.000000       19.41167 
1 1 1 6   -17 7  o 84.86141 20.28299 200.4594       81.16888 200.4594       81.16888 0.000000       0.000000 84.86141 20.28299 ?        ?        0.000000       20.28299 
1 1 1 6   -17 8  o 74.64075 26.10729 161.5832       114.8156 161.5832       114.8156 0.000000       0.000000 74.64075 26.10729 ?        ?        0.000000       26.10729 
1 1 1 6   -17 9  o 112.4008 10.76235 316.1857       57.12862 338.5310       81.97123 295.0814       79.66236 113.7568 15.47287 105.6132 16.30117 8.143623       22.47527 
1 1 1 6   -17 10 o 67.59254 19.69486 127.5945       67.51672 75.31015       103.3572 166.5119       89.17174 59.21103 23.82342 75.68600 22.78389 -16.47498      32.96454 
1 1 1 6   -16 0  o 49.97053 19.85011 40.95891       70.83073 40.95891       70.83073 0.000000       0.000000 49.97053 19.85011 ?        ?        0.000000       19.85011 
1 1 1 6   -16 1  o 241.4183 9.966711 1423.295       114.7877 1423.295       114.7877 0.000000       0.000000 241.4183 9.966711 ?        ?        0.000000       9.966711 
1 1 1 6   -16 2  o 247.6547 11.13191 1505.814       131.4659 1505.814       131.4659 0.000000       0.000000 247.6547 11.13191 ?        ?        0.000000       11.13191 
1 1 1 6   -16 3  o 76.53814 24.79858 158.3934       103.6345 158.3934       103.6345 0.000000       0.000000 76.53814 24.79858 ?        ?        0.000000       24.79858 
1 1 1 6   -16 4  o 113.4047 21.73179 346.2026       113.5369 346.2026       113.5369 0.000000       0.000000 113.4047 21.73179 ?        ?        0.000000       21.73179 
1 1 1 6   -16 5  o 241.0348 13.23212 1445.064       151.8967 1445.064       151.8967 0.000000       0.000000 241.0348 13.23212 ?        ?        0.000000       13.23212 
1 1 1 6   -16 6  o 313.7569 12.24807 2435.014       183.3725 2435.014       183.3725 0.000000       0.000000 313.7569 12.24807 ?        ?        0.000000       12.24807 
1 1 1 6   -16 7  o 78.14789 26.23469 168.3521       115.6358 168.3521       115.6358 0.000000       0.000000 78.14789 26.23469 ?        ?        0.000000       26.23469 
1 1 1 6   -16 8  o 184.2017 9.564611 830.5842       83.94197 846.4905       111.4757 809.7538       127.5689 184.3151 12.72877 178.8154 15.06206 5.499680       19.72023 
1 1 1 6   -16 9  f 149.1008 9.866787 546.0296       69.93819 610.9864       94.94097 468.9572       103.4168 156.3603 12.81271 135.0084 16.35526 21.35193       20.77643 
1 1 1 6   -16 10 o 186.0157 9.947538 849.5799       88.14372 790.8207       137.6446 890.4254       114.7608 175.3809 16.61414 188.8443 12.78643 -13.46346      20.96480 
1 1 1 6   -16 11 o 68.85088 15.40958 124.4752       49.45552 113.2819       110.2485 127.2950       55.33537 67.51783 25.29704 69.17421 16.88279 -1.656380      30.41330 
1 1 1 6   -16 12 o 201.0842 10.70900 1000.099       102.5808 1165.028       211.6418 949.4561       117.2774 206.8402 21.72613 194.6147 12.67357 12.22545       25.15241 
1 1 1 6   -16 13 o 63.24333 18.53921 108.3552       59.66803 127.4787       222.8683 106.8787       61.92876 76.91679 33.20720 62.82520 19.00353 14.09159       38.26033 
1 1 1 6   -16 14 o 96.73947 19.29154 256.5812       86.09237 439.8093       167.5298 190.8291       100.3578 117.9454 29.72525 80.67377 24.14463 37.27161       38.29562 
1 1 1 6   -15 0  o 208.9128 10.68849 1064.225       106.4006 1064.225       106.4006 0.000000       0.000000 208.9128 10.68849 ?        ?        0.000000       10.68849 
1 1 1 6   -15 1  o 211.8947 11.67880 1098.802       117.8539 1098.802       117.8539 0.000000       0.000000 211.8947 11.67880 ?        ?        0.000000       11.67880 
1 1 1 6   -15 2  o 145.4083 13.60214 523.8376       93.46203 523.8376       93.46203 0.000000       0.000000 145.4083 13.60214 ?        ?        0.000000       13.60214 
1 1 1 6   -15 3  o 59.82512 19.52211 88.72125       64.16309 88.72125       64.16309 0.000000       0.000000 59.82512 19.52211 ?        ?        0.000000       19.52211 
1 1 1 6   -15 4  o 152.4182 14.11815 576.6992       101.7090 576.6992       101.7090 0.000000       0.000000 152.4182 14.11815 ?        ?        0.000000       14.11815 
1 1 1 6   -15 5  o 129.8114 13.34288 417.8175       81.62994 417.8175       81.62994 0.000000       0.000000 129.8114 13.34288 ?        ?        0.000000       13.34288 
1 1 1 6   -15 6  o 208.8248 12.09347 1069.398       120.2207 1069.398       120.2207 0.000000       0.000000 208.8248 12.09347 ?        ?        0.000000       12.09347 
1 1 1 6   -15 7  o 167.1143 13.45548 690.7470       106.5951 690.7470       106.5951 0.000000       0.000000 167.1143 13.45548 ?        ?        0.000000       13.45548 
1 1 1 6   -15 8  o 199.2282 8.517337 961.7703       80.93935 1026.705       112.5644 892.2549       116.4664 204.7167 11.54792 190.2308 12.88192 14.48584       17.30024 
1 1 1 6   -15 9  o 142.3126 10.05624 494.9055       67.98003 568.5276       98.73933 428.5604       93.73253 151.1794 13.81369 130.4958 15.31512 20.68355       20.62452 
1 1 1 6   -15 10 o 311.5805 8.667769 2354.786       128.9923 2518.756       217.5340 2265.865       160.1950 318.3092 14.33128 304.2754 11.03045 14.03384       18.08470 
1 1 1 6   -15 11 o 238.7079 11.79830 1402.895       134.2291 1427.389       203.1874 1383.928       178.7997 236.2052 18.13143 234.2129 16.06519 1.992355       24.22476 
1 1 1 6   -15 12 o 100.4845 18.09073 264.3423       83.71312 96.05185       180.4260 310.5091       94.50050 73.83157 30.77991 108.7119 18.86611 -34.88035      36.10171 
1 1 1 6   -15 13 f 112.9758 15.55047 326.5262       81.76616 530.6935       152.1927 243.6829       96.94591 139.2375 23.71177 94.40844 21.90335 44.82906       32.28010 
1 1 1 6   -15 14 o 74.26720 21.72247 150.4545       81.99637 -218.6498      254.5147 193.2013       86.61442 61.82801 29.68551 83.95211 21.49092 -22.12410      36.64818 
1 1 1 6   -15 15 o 70.17913 17.05345 130.7276       56.64774 373.9791       268.9748 119.4374       57.94744 104.6083 39.44472 66.91642 17.80320 37.69185       43.27632 
1 1 1 6   -15 16 o 80.09565 19.64817 175.3125       74.65981 216.2256       146.2366 160.8889       86.82854 85.18227 29.48372 75.86282 22.39779 9.319450       37.02635 
1 1 1 6   -15 17 o 130.6602 14.07928 436.1375       86.56262 486.2604       165.7819 417.3499       101.4975 127.0026 28.05295 125.7758 17.34002 1.226738       32.97945 
1 1 1 6   -15 18 o 102.3781 19.22548 286.3668       90.64597 330.8319       262.5991 280.3519       96.58255 94.90931 38.04702 100.2065 20.84019 -5.297234      43.38075 
1 1 1 6   -14 0  o 205.2486 10.26386 1021.970       100.3966 1021.970       100.3966 0.000000       0.000000 205.2486 10.26386 ?        ?        0.000000       10.26386 
1 1 1 6   -14 1  o 351.0772 10.98062 2990.927       184.0787 2990.927       184.0787 0.000000       0.000000 351.0772 10.98062 ?        ?        0.000000       10.98062 
1 1 1 6   -14 2  o 206.1905 10.58268 1032.310       103.9723 1032.310       103.9723 0.000000       0.000000 206.1905 10.58268 ?        ?        0.000000       10.58268 
1 1 1 6   -14 3  o 154.6084 13.60458 588.1892       99.53580 588.1892       99.53580 0.000000       0.000000 154.6084 13.60458 ?        ?        0.000000       13.60458 
1 1 1 6   -14 4  o 221.4883 10.87618 1192.271       114.8168 1192.271       114.8168 0.000000       0.000000 221.4883 10.87618 ?        ?        0.000000       10.87618 
1 1 1 6   -14 5  o 189.3952 11.67669 875.2252       105.2156 875.2252       105.2156 0.000000       0.000000 189.3952 11.67669 ?        ?        0.000000       11.67669 
1 1 1 6   -14 6  o 114.2117 19.17663 334.1324       101.0033 334.1324       101.0033 0.000000       0.000000 114.2117 19.17663 ?        ?        0.000000       19.17663 
1 1 1 6   -14 7  o 166.4738 9.724559 672.9312       77.05998 702.5685       118.6281 651.2955       101.3571 168.3943 14.88828 162.7270 13.13991 5.667343       19.85744 
1 1 1 6   -14 8  o 154.7187 9.646578 581.5306       71.00002 584.4316       107.5088 579.2867       94.55270 153.4566 14.83869 153.4225 13.01335 0.3410339E-01  19.73662 
1 1 1 6   -14 9  f 240.2009 9.224523 1397.371       105.7351 1544.566       192.9654 1334.213       126.3999 249.2004 16.28577 233.9260 11.33587 15.27444       19.84259 
1 1 1 6   -14 10 o 179.6600 10.46126 786.1277       89.46659 715.2662       165.2713 815.5004       106.4053 166.6398 21.22594 182.3687 12.27558 -15.72890      24.52000 
1 1 1 6   -14 11 o 238.0300 11.93424 1385.723       135.3778 1256.951       195.5557 1504.229       187.5983 223.1632 18.49500 245.8152 16.05068 -22.65204      24.48855 
1 1 1 6   -14 12 f 77.95142 15.02632 154.7558       53.96943 116.7702       106.8539 167.7647       62.53161 70.13599 25.12334 80.74010 16.74913 -10.60412      30.19463 
1 1 1 6   -14 13 o 66.70743 19.97104 115.1132       68.65292 484.2626       224.1882 76.91351       72.11761 127.7188 35.45982 57.96014 20.65339 69.75865       41.03610 
1 1 1 6   -14 14 o 66.84283 16.67067 116.1206       53.09180 31.64834       240.0576 120.4649       54.43990 76.59376 33.73476 68.05128 16.82830 8.542480       37.69915 
1 1 1 6   -14 15 o 264.1357 10.13344 1702.879       127.7280 1496.998       258.1727 1769.604       146.9757 237.7220 23.00312 268.4903 11.47656 -30.76830      25.70710 
1 1 1 6   -14 16 o 50.55156 20.14418 41.86073       73.16813 237.2017       221.3683 17.90279       77.52531 92.12031 35.52757 47.54418 20.02167 44.57613       40.78082 
1 1 1 6   -14 17 o 225.2379 12.04794 1255.073       129.2645 2145.133       261.4647 967.1537       148.7094 287.6066 19.12405 195.0581 16.08948 92.54849       24.99202 
1 1 1 6   -14 18 o 35.07740 15.08480 0.6921374      45.64368 -54.84096      142.9016 7.001311       48.16676 53.62097 24.59007 37.15276 15.72056 16.46821       29.18574 
1 1 1 6   -14 19 o 95.11497 15.39340 234.3201       67.60886 316.7439       178.0156 220.4272       73.08496 99.96454 32.51010 91.26971 17.38380 8.694832       36.86602 
1 1 1 6   -14 20 o 194.0303 12.71776 945.9811       117.3243 1121.091       220.2516 876.6091       138.6296 200.3327 23.43891 184.2719 15.89088 16.06081       28.31788 
1 1 1 6   -14 21 o 131.6504 13.88787 443.6853       86.09543 587.9958       201.7905 411.5692       95.19479 134.7997 31.82507 125.2436 16.28339 9.556038       35.74890 
1 1 1 6   -13 0  o 268.6895 10.99564 1750.322       140.9488 1750.322       140.9488 0.000000       0.000000 268.6895 10.99564 ?        ?        0.000000       10.99564 
1 1 1 6   -13 1  o 48.07936 18.97874 34.40838       64.36999 34.40838       64.36999 0.000000       0.000000 48.07936 18.97874 ?        ?        0.000000       18.97874 
1 1 1 6   -13 2  o 76.94547 18.33401 152.0167       66.48165 152.0167       66.48165 0.000000       0.000000 76.94547 18.33401 ?        ?        0.000000       18.33401 
1 1 1 6   -13 3  o 371.3893 11.47292 3344.737       203.4654 3344.737       203.4654 0.000000       0.000000 371.3893 11.47292 ?        ?        0.000000       11.47292 
1 1 1 6   -13 4  o 427.4326 10.29854 4414.635       210.4512 4414.635       210.4512 0.000000       0.000000 427.4326 10.29854 ?        ?        0.000000       10.29854 
1 1 1 6   -13 5  o 51.33049 20.60710 34.82734       77.15149 34.82734       77.15149 0.000000       0.000000 51.33049 20.60710 ?        ?        0.000000       20.60710 
1 1 1 6   -13 6  o 45.81757 14.87227 49.85069       37.26408 16.20603       71.71977 62.29222       43.61317 46.76476 19.44370 50.69016 16.05349 -3.925396      25.21452 
1 1 1 6   -13 7  o 133.2132 10.40351 431.4045       65.73242 459.1311       105.3640 413.7371       84.10674 135.7806 16.57413 129.6221 13.78306 6.158463       21.55631 
1 1 1 6   -13 8  o 203.2682 8.996670 997.8677       87.21323 1001.121       148.0121 996.1377       107.9418 201.6100 15.47424 202.5284 11.19147 -0.9183197     19.09715 
1 1 1 6   -13 9  o 87.03480 15.77613 191.1553       63.22847 166.1478       125.0642 199.7420       73.28401 81.50645 27.28225 88.43565 17.94703 -6.929199      32.65604 
1 1 1 6   -13 10 o 212.7314 9.671571 1095.234       98.10690 958.1302       168.9412 1164.995       120.5087 195.8515 18.25281 218.8477 11.55875 -22.99617      21.60485 
1 1 1 6   -13 11 o 112.1796 14.00835 312.2294       73.49641 177.3936       153.9463 352.0346       83.64436 84.98835 30.18690 118.8957 15.05184 -33.90734      33.73140 
1 1 1 6   -13 12 o 85.79833 14.33550 184.9855       56.72990 40.88785       179.7052 200.9352       59.78713 71.11805 30.23984 89.46303 14.47226 -18.34498      33.52453 
1 1 1 6   -13 13 o 74.02391 18.40485 141.9263       64.85810 16.08513       133.6913 180.6596       74.17100 60.54579 25.92291 83.44640 19.01666 -22.90060      32.15012 
1 1 1 6   -13 14 o 48.05627 18.81376 37.65059       62.80421 -39.45348      135.6697 58.68012       70.85313 55.20065 24.76929 54.10593 20.27815 1.094719       32.01126 
1 1 1 6   -13 15 o 47.78590 19.43160 27.58556       69.58907 3.435440       222.6921 30.19903       73.25774 73.53065 32.43439 49.16142 19.95705 24.36924       38.08246 
1 1 1 6   -13 16 o 71.79284 15.97530 132.5355       53.41922 207.2180       132.6317 118.0749       58.36227 87.78531 28.01792 67.48894 17.82582 20.29637       33.20789 
1 1 1 6   -13 17 f 166.3306 11.83029 679.5706       93.46137 671.8491       172.1734 682.7964       111.2846 159.5477 23.25554 165.7697 14.17775 -6.221939      27.23653 
1 1 1 6   -13 18 o 184.1236 12.54494 837.4770       109.7703 925.8689       268.3719 819.7180       120.2930 178.5988 32.63253 181.4516 13.97421 -2.852798      35.49874 
1 1 1 6   -13 19 o 237.6461 11.26952 1388.165       127.6749 1848.659       301.5207 1287.560       140.9331 261.8203 24.36802 227.8253 12.99293 33.99503       27.61551 
1 1 1 6   -13 20 o 137.9225 15.66063 484.4058       101.4389 601.2048       190.6321 438.2711       119.8092 144.5474 28.59836 128.6278 20.14321 15.91957       34.98021 
1 1 1 6   -13 21 o 111.5727 20.33127 334.1436       104.4559 313.3994       185.9505 343.7074       126.2592 100.2433 33.25994 110.5846 24.52431 -10.34132      41.32391 
1 1 1 6   -13 22 o 228.0546 12.31028 1297.989       133.7218 1067.044       232.6193 1411.972       163.4227 193.6599 25.76303 235.9263 14.55957 -42.26640      29.59248 
1 1 1 6   -13 23 o 58.40310 20.55800 87.37643       71.26878 -25.65778      164.5131 113.4906       79.07394 58.17293 26.56670 64.67167 21.69417 -6.498737      34.29907 
1 1 1 6   -12 0  o 205.4555 10.99270 1022.791       107.5837 1022.791       107.5837 0.000000       0.000000 205.4555 10.99270 ?        ?        0.000000       10.99270 
1 1 1 6   -12 1  o 182.4158 9.854182 804.6069       85.62016 804.6069       85.62016 0.000000       0.000000 182.4158 9.854182 ?        ?        0.000000       9.854182 
1 1 1 6   -12 2  o 125.5153 11.94371 384.6943       70.80830 384.6943       70.80830 0.000000       0.000000 125.5153 11.94371 ?        ?        0.000000       11.94371 
1 1 1 6   -12 3  o 226.2059 11.39361 1240.410       122.8211 1240.410       122.8211 0.000000       0.000000 226.2059 11.39361 ?        ?        0.000000       11.39361 
1 1 1 6   -12 4  o 242.3434 14.35063 1434.707       165.5243 1434.707       165.5243 0.000000       0.000000 242.3434 14.35063 ?        ?        0.000000       14.35063 
1 1 1 6   -12 5  o 139.7764 17.84351 487.5797       116.5250 487.5797       116.5250 0.000000       0.000000 139.7764 17.84351 ?        ?        0.000000       17.84351 
1 1 1 6   -12 6  o 187.4132 8.373841 846.7084       74.84024 794.6680       105.3680 899.6921       106.3186 180.6753 12.27118 192.4701 11.60810 -11.79483      16.89171 
1 1 1 6   -12 7  o 186.5225 8.600952 839.1699       76.49189 1049.861       140.4392 750.3045       91.20776 207.1339 14.26889 175.8600 10.90177 31.27390       17.95689 
1 1 1 6   -12 8  f 182.4394 9.377531 804.3534       81.51843 727.0822       134.5426 849.1741       102.4685 171.4241 16.62495 186.9596 11.51990 -15.53548      20.22614 
1 1 1 6   -12 9  o 53.19740 17.31310 67.65448       50.48118 -0.3375454E-07 73.33965 128.5681       69.59018 44.71628 19.17384 70.93233 19.77966 -26.21605      27.54761 
1 1 1 6   -12 10 o 206.3911 9.544531 1029.427       93.92397 938.9187       163.5908 1073.932       114.7153 194.4768 17.79163 210.3193 11.45184 -15.84253      21.15861 
1 1 1 6   -12 11 o 183.9200 9.931116 818.6731       87.00045 886.1306       165.3470 792.8472       102.3077 188.5718 18.58167 180.4970 11.92256 8.074783       22.07772 
1 1 1 6   -12 12 o 65.87856 18.09892 110.5093       58.74873 170.9146       116.8481 90.07388       67.96356 82.08940 26.30832 61.16281 20.09980 20.92659       33.10785 
1 1 1 6   -12 13 o 279.3251 9.349043 1883.729       124.6732 2227.658       248.0493 1767.477       144.2124 300.2458 17.35431 269.9765 11.19727 30.26929       20.65311 
1 1 1 6   -12 14 o 106.3043 12.52202 278.2969       62.42098 419.1145       141.9749 244.5538       69.49847 126.6227 24.33662 98.86304 15.18904 27.75965       28.68759 
1 1 1 6   -12 15 o 214.5242 10.48029 1117.039       107.1622 1229.689       222.4960 1083.014       122.2795 220.0028 21.42476 210.6598 12.19336 9.342972       24.65154 
1 1 1 6   -12 16 o 197.3623 11.21482 948.7980       105.3838 986.8839       230.7835 938.7643       118.4548 194.1493 25.47761 195.7916 12.72356 -1.642349      28.47802 
1 1 1 6   -12 17 o 142.9538 12.24042 501.6688       82.85233 488.3715       156.3752 506.8585       97.69129 135.7003 25.02517 142.9553 14.49387 -7.255051      28.91940 
1 1 1 6   -12 18 o 117.8550 14.16614 345.8020       78.22109 428.4857       166.2563 322.2964       88.64505 124.9048 28.47600 112.7630 16.96832 12.14174       33.14825 
1 1 1 6   -12 19 o 144.0651 16.81933 522.9512       113.6675 398.8815       274.1895 548.6985       124.9062 115.5514 40.34970 147.0070 18.15758 -31.45566      44.24699 
1 1 1 6   -12 20 o 80.46596 25.04914 173.3367       106.6368 262.6609       278.3936 157.9772       115.4415 99.76512 39.44146 77.82691 26.21322 21.93821       47.35780 
1 1 1 6   -12 21 o 161.0360 14.80489 650.6833       112.7074 605.9244       278.6263 659.4401       123.2403 136.1777 40.10044 161.3907 16.19069 -25.21300      43.24562 
1 1 1 6   -12 22 o 42.75896 18.37441 4.076055       67.62561 167.0836       254.7591 -8.280696      70.14197 86.70152 36.38987 41.66580 18.29714 45.03572       40.73092 
1 1 1 6   -12 23 o 63.83644 21.46950 105.1827       77.44102 204.7402       266.5415 96.00392       80.93221 89.62052 37.39041 62.14005 21.90457 27.48048       43.33420 
1 1 1 6   -12 24 o 51.19985 22.96574 -18.77120      116.5156 186.9051       276.4024 -63.21769      128.4897 86.59219 37.17795 49.67827 22.97419 36.91392       43.70370 
1 1 1 6   -12 25 o 140.8569 16.81953 519.7968       111.0305 872.6348       317.8696 470.7657       118.4941 150.4096 42.39329 132.1999 19.31851 18.20970       46.58751 
1 1 1 6   -11 0  o 202.0234 8.959460 983.5338       86.31976 983.5338       86.31976 0.000000       0.000000 202.0234 8.959460 ?        ?        0.000000       8.959460 
1 1 1 6   -11 1  o 292.7773 8.223659 2061.258       114.9954 2061.258       114.9954 0.000000       0.000000 292.7773 8.223659 ?        ?        0.000000       8.223659 
1 1 1 6   -11 2  o 105.8346 12.10652 274.1501       60.15600 274.1501       60.15600 0.000000       0.000000 105.8346 12.10652 ?        ?        0.000000       12.10652 
1 1 1 6   -11 3  o 40.50785 17.20271 2.690586       58.03160 2.690586       58.03160 0.000000       0.000000 40.50785 17.20271 ?        ?        0.000000       17.20271 
1 1 1 6   -11 4  o 149.4946 11.31056 542.4874       80.23873 542.4874       80.23873 0.000000       0.000000 149.4946 11.31056 ?        ?        0.000000       11.31056 
1 1 1 6   -11 5  o 352.8120 7.056839 2987.096       119.0315 3169.271       168.7641 2806.758       167.9111 362.6483 9.742707 341.0970 10.30841 21.55133       14.18392 
1 1 1 6   -11 6  o 272.9142 8.085446 1791.199       105.3803 1888.966       169.1035 1729.127       134.7426 279.0536 12.70861 267.5735 10.55373 11.48007       16.51938 
1 1 1 6   -11 7  o 294.0603 10.66663 2088.500       149.7104 0.000000       0.000000 2088.500       149.7104 ?        ?        294.0603 10.66663 0.000000       10.66663 
1 1 1 6   -11 8  o 287.0980 12.86562 2000.531       176.1427 2000.531       176.1427 0.000000       0.000000 287.0980 12.86562 ?        ?        0.000000       12.86562 
1 1 1 6   -11 9  o 138.5930 10.73962 466.2503       70.60554 640.1649       133.9659 399.3618       83.08100 160.6628 17.73580 127.5290 13.84857 33.13383       22.50203 
1 1 1 6   -11 10 o 172.8173 9.992064 722.3795       82.20438 876.8339       152.7786 659.4422       97.52506 188.4412 17.14569 164.5398 12.49091 23.90147       21.21314 
1 1 1 6   -11 11 o 294.1028 9.280388 2085.468       130.3256 2274.398       256.5546 2019.759       151.3010 303.7691 17.74282 288.9361 10.97290 14.83301       20.86174 
1 1 1 6   -11 12 o 160.3394 10.60536 623.4973       80.84005 683.5321       148.4042 598.1668       96.39742 165.3686 19.12283 156.4673 13.00388 8.901306       23.12539 
1 1 1 6   -11 13 o 130.4046 12.67279 416.3268       78.01321 478.4446       207.3826 406.0875       84.19782 132.4747 32.89494 128.4611 13.93228 4.013687       35.72374 
1 1 1 6   -11 14 o 342.9118 9.604651 2837.780       157.3057 2920.239       331.3007 2813.779       178.7388 342.2985 20.33625 340.9626 10.97919 1.335846       23.11073 
1 1 1 6   -11 15 o 143.5110 12.69244 503.6111       86.18716 519.6734       200.3324 499.9628       95.47457 138.8960 30.95950 142.5894 14.19358 -3.693420      34.05802 
1 1 1 6   -11 16 o 181.6283 12.42629 804.2205       107.2530 1175.283       218.9147 687.0225       123.0302 215.9198 21.49183 166.8505 15.60425 49.06926       26.55920 
1 1 1 6   -11 17 f 112.4253 14.14055 313.0718       74.32698 312.6368       153.3549 313.2053       84.97469 107.6871 29.10114 111.8009 16.38381 -4.113777      33.39619 
1 1 1 6   -11 18 o 183.5973 12.05134 823.0491       105.1967 1002.775       183.4410 734.9830       128.4090 199.5332 19.47742 172.1544 15.77684 27.37878       25.06549 
1 1 1 6   -11 19 o 165.6823 12.34101 672.3286       97.05202 1084.248       183.7789 513.0258       114.2881 207.6851 18.70932 142.9893 17.05394 64.69583       25.31552 
1 1 1 6   -11 20 o 147.4879 14.65931 539.9423       101.9993 532.2349       257.4734 541.3770       111.0881 133.8178 38.30113 147.1550 16.04992 -13.33719      41.52802 
1 1 1 6   -11 21 o 206.3537 13.69029 1049.323       134.2984 1134.669       262.4942 1019.062       156.3046 205.9487 27.33377 202.0826 16.31699 3.866135       31.83362 
1 1 1 6   -11 22 o 222.2176 13.21499 1217.101       139.7616 1169.033       275.4157 1233.772       162.1972 206.9019 28.60763 222.5890 15.33535 -15.68713      32.45873 
1 1 1 6   -11 23 o 89.16170 27.37879 221.6368       127.9042 374.9893       263.7442 174.4808       146.2533 109.6306 39.44613 81.64948 29.37469 27.98117       49.18200 
1 1 1 6   -11 24 o 175.9225 16.33255 787.0496       135.7988 377.1769       298.0327 894.4432       152.5558 107.4004 41.27443 186.9821 17.26025 -79.58176      44.73807 
1 1 1 6   -11 25 f 79.82836 29.50303 170.9860       148.9775 350.2034       319.6837 121.2680       168.3787 103.3911 41.79194 74.79131 30.29458 28.59977       51.61713 
1 1 1 6   -11 26 o 190.4382 14.21737 917.4579       128.5098 1062.180       236.8595 857.0844       152.9845 193.0002 26.35793 181.1784 17.89514 11.82176       31.85870 
1 1 1 6   -11 27 o 63.05679 24.27677 95.55034       103.2360 30.08039       360.1628 101.4109       107.7576 79.52774 37.33335 64.44225 24.80466 15.08549       44.82243 
1 1 1 6   -10 0  o 308.4975 7.874004 2286.065       116.0381 2286.065       116.0381 0.000000       0.000000 308.4975 7.874004 ?        ?        0.000000       7.874004 
1 1 1 6   -10 1  o 234.8037 7.865413 1324.911       88.17013 1324.911       88.17013 0.000000       0.000000 234.8037 7.865413 ?        ?        0.000000       7.865413 
1 1 1 6   -10 2  o 368.2693 9.754275 3265.129       171.5878 3265.129       171.5878 0.000000       0.000000 368.2693 9.754275 ?        ?        0.000000       9.754275 
1 1 1 6   -10 3  f 181.2886 10.14077 793.5457       87.54180 793.5457       87.54180 0.000000       0.000000 181.2886 10.14077 ?        ?        0.000000       10.14077 
1 1 1 6   -10 4  o 197.6814 6.942115 938.3647       65.50755 898.7554       86.85595 990.6204       99.76260 193.0869 9.437481 202.5723 10.33516 -9.485489      13.99577 
1 1 1 6   -10 5  o 284.8473 6.520098 1945.256       88.79216 1885.080       114.3439 2036.661       140.9236 279.9830 8.552293 290.6828 10.15602 -10.69974      13.27729 
1 1 1 6   -10 6  o 100.2009 10.62577 244.5353       50.12769 273.2498       77.23315 223.6345       65.89236 104.8773 15.90137 94.87506 15.02707 10.00227       21.87845 
1 1 1 6   -10 7  o 91.31839 12.99696 205.5929       55.14246 126.1599       114.5703 229.5408       62.90802 74.44557 26.07648 96.35415 14.07112 -21.90858      29.63071 
1 1 1 6   -10 8  o 231.0535 10.15234 1287.952       111.8731 1251.376       148.3215 1336.220       170.3888 226.8790 13.73857 234.0047 15.31445 -7.125656      20.57379 
1 1 1 6   -10 9  o 51.20592 17.59591 58.85423       52.05147 50.92001       118.9883 60.73185       57.88368 63.22522 25.51804 52.75241 18.53057 10.47281       31.53652 
1 1 1 6   -10 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -10 11 o 166.3999 11.60030 671.8518       91.70696 952.9303       193.3077 590.2183       104.1764 195.3661 21.02691 155.3232 14.18535 40.04295       25.36444 
1 1 1 6   -10 12 o 236.6908 11.29425 1355.578       127.4360 1570.150       198.9099 1206.184       165.9724 253.0839 16.52976 221.9550 15.74311 31.12891       22.82714 
1 1 1 6   -10 13 o 43.09975 15.90679 36.08444       43.28050 -50.54654      185.7201 41.05941       44.50589 65.39337 29.18759 44.76007 16.19091 20.63330       33.37756 
1 1 1 6   -10 14 o 46.46303 18.96586 21.89877       66.59731 69.15079       103.8219 -11.13708      86.81035 62.84825 24.30590 47.12143 20.53142 15.72683       31.81691 
1 1 1 6   -10 15 o 93.77925 15.93371 220.5432       68.88501 214.7668       188.0025 221.4389       74.03363 94.06080 33.36420 93.65524 17.16684 0.4055557      37.52160 
1 1 1 6   -10 16 o 179.5998 11.80051 784.2419       100.7633 875.7025       171.8088 736.2884       124.4053 187.2330 19.47790 173.0389 15.19193 14.19408       24.70189 
1 1 1 6   -10 17 f 78.57973 18.35147 158.1012       67.68819 136.9899       138.9633 164.6681       77.50410 78.31893 28.56885 79.94995 20.25611 -1.631020      35.02127 
1 1 1 6   -10 18 o 172.3795 12.62678 724.8344       103.3387 675.5557       179.2122 749.3814       126.4845 162.3317 23.79818 174.4797 15.31828 -12.14803      28.30199 
1 1 1 6   -10 19 o 219.0333 13.06463 1170.573       136.1877 1418.482       255.7799 1072.485       160.8895 236.4597 22.91244 208.4530 16.27286 28.00664       28.10313 
1 1 1 6   -10 20 o 166.4466 14.79047 683.5314       116.4727 566.8949       235.7651 721.1874       133.9613 141.9877 34.96634 170.3059 16.66595 -28.31815      38.73499 
1 1 1 6   -10 21 o 85.70541 21.79742 192.7980       89.50682 299.6002       236.8643 175.0066       96.67491 105.3022 37.43984 81.66608 23.49941 23.63613       44.20367 
1 1 1 6   -10 22 o 212.9390 14.87323 1120.965       150.4631 1275.791       266.7225 1048.698       182.2262 220.2883 25.81473 203.8698 18.91162 16.41853       32.00077 
1 1 1 6   -10 23 o 163.5004 16.30416 668.8593       125.7486 888.4331       284.4055 615.5035       140.1968 176.1819 34.99914 155.4223 19.28081 20.75958       39.95860 
1 1 1 6   -10 24 o 148.0504 17.59217 556.1500       122.0878 498.7371       305.5877 567.0544       133.1781 125.1652 42.64500 148.7292 19.17533 -23.56393      46.75777 
1 1 1 6   -10 25 o 47.25681 22.44239 -136.2191      137.2883 -375.1099      309.6523 -77.77107      153.1650 64.26279 31.30121 54.64240 25.20348 9.620396       40.18682 
1 1 1 6   -10 26 o 56.58206 21.77501 65.17006       83.03103 81.12465       196.5661 61.70506       91.60468 74.01758 31.55484 57.39886 22.64572 16.61872       38.83988 
1 1 1 6   -10 27 o 70.92878 27.01723 121.9734       126.9503 151.8617       210.4749 104.8820       159.1615 81.24194 33.49977 71.81078 29.31717 9.431152       44.51664 
1 1 1 6   -10 28 o 125.8557 17.60764 416.8831       103.0504 476.6571       196.4456 394.1899       121.0414 121.5115 32.97931 119.3882 22.01723 2.123291       39.65342 
1 1 1 6   -10 29 o 53.35846 21.80390 48.93129       88.13545 -0.1069531E-07 187.2937 62.84840       99.88596 62.91896 28.58343 57.32161 23.29105 5.597359       36.87120 
1 1 1 6   -9  0  o 113.4504 9.734454 311.4806       52.28918 311.4806       52.28918 0.000000       0.000000 113.4504 9.734454 ?        ?        0.000000       9.734454 
1 1 1 6   -9  1  o 321.3117 8.979818 2480.524       137.8086 2480.524       137.8086 0.000000       0.000000 321.3117 8.979818 ?        ?        0.000000       8.979818 
1 1 1 6   -9  2  o 251.8803 11.41729 1530.312       137.1308 1530.312       137.1308 0.000000       0.000000 251.8803 11.41729 ?        ?        0.000000       11.41729 
1 1 1 6   -9  3  o 472.4056 9.854165 5362.922       222.5580 5362.922       222.5580 0.000000       0.000000 472.4056 9.854165 ?        ?        0.000000       9.854165 
1 1 1 6   -9  4  o 168.2139 6.960793 679.3670       55.85854 699.7803       75.19511 654.2330       83.43819 170.4435 9.262662 164.5782 10.66173 5.865356       14.12336 
1 1 1 6   -9  5  o 88.90861 11.64425 193.5781       48.30687 146.2218       86.64870 214.9347       58.18877 76.36409 22.32866 93.42722 13.41137 -17.06313      26.04676 
1 1 1 6   -9  6  o 55.42030 13.94721 77.12644       36.92015 51.67448       58.87513 93.62215       47.39764 50.88591 18.59031 61.02533 16.03858 -10.13942      24.55272 
1 1 1 6   -9  7  o 180.8170 10.02369 788.6472       86.31222 824.5612       129.7027 760.1021       115.6331 183.9272 14.87695 176.7904 13.78993 7.136780       20.28512 
1 1 1 6   -9  8  o 123.8338 9.881581 371.1026       58.01748 391.6588       91.78774 357.4253       74.87086 126.1453 15.54833 120.9376 13.16126 5.207703       20.37080 
1 1 1 6   -9  9  o 326.1986 9.169641 2559.383       142.8603 2635.621       294.0985 2535.838       163.4382 327.8003 18.84558 324.3684 10.55322 3.431885       21.59922 
1 1 1 6   -9  10 o 190.8934 10.54191 880.1490       95.83606 1020.335       152.2930 788.2383       123.3137 204.3531 15.70845 179.7814 14.46901 24.57162       21.35668 
1 1 1 6   -9  11 o 397.4019 9.636730 3799.082       183.0914 4141.241       416.4349 3717.092       203.8511 409.4071 21.34944 392.6075 10.87087 16.79965       23.95777 
1 1 1 6   -9  12 o 309.2391 9.194083 2301.430       135.7778 2709.161       235.6111 2098.696       166.1392 333.7946 14.80094 294.6400 11.81828 39.15457       18.94042 
1 1 1 6   -9  13 f 45.03220 16.75168 38.40068       48.17213 47.68778       102.2955 35.75435       54.60575 59.41911 23.77150 46.07897 17.67772 13.34013       29.62408 
1 1 1 6   -9  14 o 172.2844 12.26708 721.0090       100.3795 944.9559       196.0850 641.4800       116.8516 194.4539 21.44797 161.7232 15.29483 32.73064       26.34288 
1 1 1 6   -9  15 o 50.03010 20.40231 25.98914       76.97748 -153.9456      126.8584 130.8533       96.84458 44.97462 21.41946 73.35515 23.98698 -28.38053      32.15849 
1 1 1 6   -9  16 o 192.1169 11.73966 895.3881       107.3127 1074.036       178.1705 793.6859       134.4320 208.5033 18.05136 179.7467 15.80423 28.75661       23.99219 
1 1 1 6   -9  17 o 193.1568 13.70026 910.5853       125.6955 965.8433       242.2427 890.2263       147.0388 193.5775 26.90098 190.1563 16.33187 3.421143       31.47050 
1 1 1 6   -9  18 o 204.7570 13.13305 1021.798       127.8842 1457.561       237.2052 843.2393       151.8411 241.4899 20.74639 184.5528 17.41512 56.93709       27.08688 
1 1 1 6   -9  19 o 145.4206 13.45045 518.2123       92.45344 537.1282       149.0598 506.3856       117.8638 145.1662 22.18042 142.4847 17.68150 2.681503       28.36559 
1 1 1 6   -9  20 o 332.2254 14.24976 2693.758       225.8073 2651.128       329.3896 2731.554       310.1568 325.5128 21.28245 331.5103 19.65759 -5.997467      28.97177 
1 1 1 6   -9  21 o 337.1281 14.37125 2777.686       231.1003 2749.917       338.9887 2801.798       315.8835 330.9743 21.54013 335.3340 19.79140 -4.359711      29.25196 
1 1 1 6   -9  22 o 252.4189 12.11677 1551.535       145.7964 1577.949       250.6380 1538.026       179.2427 249.9564 21.17265 250.0727 15.06207 -0.1163330     25.98359 
1 1 1 6   -9  23 o 250.8497 13.40467 1542.014       160.1763 1572.005       253.6624 1522.126       206.5690 248.5572 21.55924 247.0495 17.60467 1.507660       27.83389 
1 1 1 6   -9  24 o 298.7244 12.36900 2180.915       176.2678 2109.773       335.3343 2208.077       207.2028 284.5335 24.90183 299.3493 14.52133 -14.81583      28.82655 
1 1 1 6   -9  25 o 41.30764 18.88402 -47.59008      83.40166 -0.1754925E-01 309.3488 -51.31899      86.60867 83.68619 37.48808 41.85259 19.17466 41.83360       42.10729 
1 1 1 6   -9  26 o 83.50552 29.48214 182.0587       146.6562 13.93165       340.4049 220.3779       162.5119 86.10774 38.88357 90.00723 31.08461 -3.899483      49.78137 
1 1 1 6   -9  27 o 171.0387 15.97126 740.0798       129.0897 643.3138       252.6609 774.2627       150.1693 143.4143 36.70143 173.4611 18.38771 -30.04681      41.05001 
1 1 1 6   -9  28 f 50.50900 23.99528 -141.9983      157.2171 -377.6357      241.1405 32.21732       207.3441 53.99794 26.57263 70.75523 31.24970 -16.75729      41.02009 
1 1 1 6   -9  29 o 41.50884 20.10890 -167.3449      123.2602 -131.5822      177.9227 -200.3482      170.9207 54.34641 25.73287 49.38427 23.86495 4.962143       35.09582 
1 1 1 6   -9  30 o 192.2764 16.83627 964.1002       153.2076 1260.959       336.6046 886.5309       172.0638 191.2831 38.14600 181.0960 20.21791 10.18704       43.17269 
1 1 1 6   -8  0  o 93.65260 10.89588 213.5028       47.87556 213.5028       47.87556 0.000000       0.000000 93.65260 10.89588 ?        ?        0.000000       10.89588 
1 1 1 6   -8  1  o 128.8096 9.019648 399.8954       55.19411 399.8954       55.19411 0.000000       0.000000 128.8096 9.019648 ?        ?        0.000000       9.019648 
1 1 1 6   -8  2  o 117.2152 9.987454 332.1643       55.43637 332.1643       55.43637 0.000000       0.000000 117.2152 9.987454 ?        ?        0.000000       9.987454 
1 1 1 6   -8  3  o 127.0253 9.598761 389.3945       57.86127 389.3945       57.86127 0.000000       0.000000 127.0253 9.598761 ?        ?        0.000000       9.598761 
1 1 1 6   -8  4  o 103.6718 8.301045 259.3199       40.80006 242.7550       57.37783 276.2621       58.02764 99.70951 12.29670 106.5806 11.57361 -6.871063      16.88661 
1 1 1 6   -8  5  o 363.6353 7.401815 3168.560       128.6805 3136.684       188.5317 3196.361       176.0700 361.1233 10.93253 364.7079 10.10767 -3.584564      14.88910 
1 1 1 6   -8  6  o 565.9854 7.858566 7679.153       212.6459 7158.012       307.9908 8153.873       293.9535 545.4774 11.81007 582.5588 10.55433 -37.08136      15.83893 
1 1 1 6   -8  7  o 329.7548 7.670487 2606.567       120.9267 2556.143       183.0714 2645.599       161.0666 325.7279 11.77531 331.7123 10.16831 -5.984436      15.55804 
1 1 1 6   -8  8  o 289.4811 9.567582 2014.406       132.2311 2123.462       165.2358 1820.182       220.5112 296.8240 11.66658 273.5048 16.94713 23.31921       20.57460 
1 1 1 6   -8  9  o 212.8052 8.878736 1088.850       90.13356 1025.909       152.0058 1122.980       111.9351 205.2968 15.60396 215.8095 10.88408 -10.51274      19.02490 
1 1 1 6   -8  10 o 351.8882 8.152517 2970.828       137.1528 3036.352       216.2518 2926.735       177.3957 354.5818 12.77749 348.6569 10.65483 5.924927       16.63699 
1 1 1 6   -8  11 o 234.7256 9.312453 1325.759       104.2966 1344.364       183.8048 1316.924       126.6626 234.7426 16.48260 233.5632 11.37743 1.179367       20.02803 
1 1 1 6   -8  12 o 254.1954 9.898273 1556.256       120.0617 1472.469       213.0287 1595.258       145.3441 245.0203 18.31818 256.9486 11.86359 -11.92831      21.82431 
1 1 1 6   -8  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -8  14 o 57.56589 21.67058 61.87029       81.11021 3.019498       122.6326 107.6359       108.1432 57.99922 24.82999 70.43329 25.26913 -12.43407      35.42679 
1 1 1 6   -8  15 o 115.0966 16.72763 329.0982       89.35342 474.5172       218.1923 299.7970       97.94274 133.1487 34.12303 109.0349 19.50488 24.11383       39.30422 
1 1 1 6   -8  16 o 308.0388 13.97201 2304.683       205.2298 2046.411       300.9090 2529.314       280.6287 286.8124 22.11534 320.9154 18.36753 -34.10303      28.74813 
1 1 1 6   -8  17 o 40.99429 18.76933 -53.80996      82.80728 -49.35037      112.9893 -58.98458      121.7108 49.91442 22.48327 51.17714 23.16666 -1.262711      32.28299 
1 1 1 6   -8  18 o 221.3143 11.73513 1186.805       123.7230 1065.802       197.0409 1265.564       158.9678 206.9648 20.16927 227.7101 14.68043 -20.74530      24.94623 
1 1 1 6   -8  19 o 200.9153 12.50697 981.3804       119.5404 905.5773       184.5153 1036.210       156.9269 190.2454 20.61570 205.3618 16.11234 -15.11641      26.16514 
1 1 1 6   -8  20 o 304.8788 13.61255 2263.219       197.9149 2256.277       291.5743 2269.149       269.5135 301.0425 20.37888 302.8491 18.70555 -1.806549      27.66218 
1 1 1 6   -8  21 o 121.7742 15.56612 367.9485       88.55485 509.9393       161.3863 306.7800       105.9255 140.2491 24.98521 109.3969 21.01649 30.85223       32.64894 
1 1 1 6   -8  22 o 73.98492 26.50337 124.1336       118.9168 62.94650       160.0681 199.5007       177.6503 71.38007 29.30054 90.93849 32.41442 -19.55843      43.69458 
1 1 1 6   -8  23 o 211.0436 14.54495 1092.411       145.8575 1171.890       223.1812 1033.156       192.7054 215.2212 21.99937 202.8791 20.13305 12.34207       29.82133 
1 1 1 6   -8  24 o 140.7525 22.86024 512.8034       148.5582 439.4731       193.6501 617.6821       231.5900 125.9104 32.08258 149.0269 33.34004 -23.11645      46.26932 
1 1 1 6   -8  25 o 165.5870 17.85392 689.0507       139.1095 534.2753       228.9025 779.6891       175.1682 136.7055 34.90612 174.4500 21.45406 -37.74449      40.97211 
1 1 1 6   -8  26 o 85.16995 33.60113 153.7297       201.6690 27.98713       368.0508 207.6799       241.0813 91.41784 40.92559 94.15566 36.86087 -2.737823      55.07838 
1 1 1 6   -8  27 o 157.9780 22.19341 650.7842       163.0055 1254.643       399.7518 530.3539       178.5214 200.6115 42.97391 139.1493 27.80813 61.46220       51.18641 
1 1 1 6   -8  28 o 189.7301 18.01811 918.6165       161.4791 870.7607       274.8357 943.8466       199.5566 171.0438 34.79488 189.1041 22.51433 -18.06035      41.44368 
1 1 1 6   -8  29 o 64.27394 28.77051 -8.983061      181.8338 -3.186685      248.7843 -15.63058      266.4248 73.27213 33.14963 74.41192 33.91582 -1.139793      47.42553 
1 1 1 6   -8  30 o 100.4134 31.88274 309.7869       171.9283 -3.284688      364.1610 399.5865       195.0333 82.41772 38.30854 112.4204 33.66187 -30.00269      50.99672 
1 1 1 6   -8  31 o 50.13639 23.72311 -112.4046      150.7235 -239.5812      246.1013 -36.06981      190.6653 58.36996 28.30952 61.60073 28.30640 -3.230774      40.03350 
1 1 1 6   -8  32 o 105.1032 24.29128 323.8442       119.6134 291.5550       256.4950 332.8176       135.2165 90.87219 37.17208 104.3359 26.92648 -13.46375      45.89988 
1 1 1 6   -7  0  o 121.1130 9.093637 353.5237       52.27015 353.5237       52.27015 0.000000       0.000000 121.1130 9.093637 ?        ?        0.000000       9.093637 
1 1 1 6   -7  1  o 556.8442 7.600901 7425.730       202.3518 7425.730       202.3518 0.000000       0.000000 556.8442 7.600901 ?        ?        0.000000       7.600901 
1 1 1 6   -7  2  o 248.2839 8.443862 1478.617       100.0842 1478.617       100.0842 0.000000       0.000000 248.2839 8.443862 ?        ?        0.000000       8.443862 
1 1 1 6   -7  3  o 298.7207 5.921561 2135.492       84.56873 2157.439       105.9611 2096.983       140.3608 300.1580 7.383936 295.5464 9.947892 4.611572       12.38883 
1 1 1 6   -7  4  o 118.6082 8.753284 338.9499       49.28598 325.1494       80.22452 347.3162       62.46376 115.2734 14.90552 119.7987 11.02978 -4.525322      18.54267 
1 1 1 6   -7  5  o 273.5443 7.369554 1793.258       96.29006 1853.817       144.8037 1745.252       128.9247 277.7084 10.92775 269.5618 10.02135 8.146576       14.82711 
1 1 1 6   -7  6  o 44.93242 14.78774 46.47355       36.78197 -6.493107      84.22318 58.95638       40.88715 47.52343 20.46470 49.66764 15.51834 -2.144215      25.68312 
1 1 1 6   -7  7  o 68.60735 12.68873 116.7450       40.08692 36.43340       90.95162 136.1078       44.65862 55.67537 22.36639 74.15007 13.07520 -18.47470      25.90784 
1 1 1 6   -7  8  o 463.0107 9.593250 5143.018       212.3563 5195.541       526.8659 5132.830       232.0389 460.4655 24.01587 462.3888 10.49652 -1.923309      26.20952 
1 1 1 6   -7  9  o 297.5262 9.047388 2125.141       128.5440 1951.233       253.1043 2185.589       149.2210 283.0506 18.81041 301.5318 10.36657 -18.48114      21.47783 
1 1 1 6   -7  10 o 405.4809 9.567480 3945.989       185.4711 4385.186       426.1896 3843.379       206.0009 423.7009 21.10593 399.8149 10.78695 23.88605       23.70271 
1 1 1 6   -7  11 o 76.48831 16.15103 146.7672       57.20545 233.1003       93.08476 94.37360       72.51512 95.99332 20.87860 63.36313 20.75861 32.63019       29.44208 
1 1 1 6   -7  12 o 502.8277 8.389352 6065.189       201.6768 5912.814       309.4647 6177.679       265.8958 495.0589 13.08660 506.8371 10.97324 -11.77817      17.07838 
1 1 1 6   -7  13 o 51.04922 20.71468 27.64378       78.88696 -28.75183      111.4631 84.24207       111.6632 51.96075 22.93213 67.27793 25.40464 -15.31718      34.22395 
1 1 1 6   -7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -7  15 o 474.8066 8.908888 5415.818       202.2314 5909.295       321.7074 5093.412       260.0334 494.1508 13.63039 459.4365 11.84835 34.71429       18.06020 
1 1 1 6   -7  16 o 77.90549 18.53894 154.1470       68.04513 137.7678       121.2151 161.6833       82.22254 77.32825 26.83898 79.66455 21.21234 -2.336304      34.20956 
1 1 1 6   -7  17 o 216.6511 12.19007 1136.909       125.7535 1243.181       192.4558 1057.731       166.1209 224.8766 18.05259 207.6918 16.87529 17.18478       24.71177 
1 1 1 6   -7  18 o 212.0714 13.29389 1092.734       134.1073 1109.178       193.7057 1077.597       185.8507 211.7892 19.34401 208.9188 18.80822 2.870377       26.98036 
1 1 1 6   -7  19 o 278.6671 13.66920 1886.857       181.5557 2014.135       269.4887 1781.077       245.6771 285.4098 19.87399 268.5876 19.26030 16.82224       27.67553 
1 1 1 6   -7  20 o 135.1308 21.03457 461.3122       131.4721 385.4912       165.3947 591.4510       216.6856 120.7665 29.01032 149.2093 31.37268 -28.44280      42.72989 
1 1 1 6   -7  21 o 47.48288 21.06417 -27.10394      95.22834 21.10215       150.1213 -59.56272      123.1849 65.24707 27.68706 51.33814 23.26630 13.90893       36.16482 
1 1 1 6   -7  22 o 131.6889 18.97744 435.9499       116.0357 400.2371       178.6766 461.9965       152.5918 122.0044 30.67041 133.4957 24.82207 -11.49127      39.45642 
1 1 1 6   -7  23 o 126.7508 23.39688 414.7731       136.5587 681.4965       307.7407 349.3748       152.3834 154.1346 41.03631 114.5785 28.04812 39.55608       49.70589 
1 1 1 6   -7  24 o 67.37209 29.37633 -5.374471      177.9936 238.6527       334.6295 -101.6592      210.1957 106.9440 42.92257 65.55074 29.97152 41.39327       52.35111 
1 1 1 6   -7  25 o 152.0067 17.70821 577.8197       126.2832 445.0278       229.6330 635.3909       151.1998 125.6887 36.23295 158.3805 20.44476 -32.69187      41.60307 
1 1 1 6   -7  26 o 159.6273 21.90957 655.0020       162.7983 459.6664       242.1931 816.0084       219.8835 125.9314 37.46480 175.4502 27.08480 -49.51887      46.22984 
1 1 1 6   -7  27 o 207.7136 17.83760 1082.839       175.4235 1474.220       271.5637 802.5694       229.8049 238.0911 24.19283 172.0786 28.96084 66.01248       37.73624 
1 1 1 6   -7  28 o 159.4925 20.43637 653.6516       152.2544 537.3950       419.0653 671.3312       163.4219 128.5051 49.05333 160.9166 21.80264 -32.41154      53.68039 
1 1 1 6   -7  29 o 190.1351 17.35719 915.5336       156.0413 928.1019       294.4355 910.6250       184.0070 176.3617 36.13604 187.3207 20.90239 -10.95897      41.74594 
1 1 1 6   -7  30 o 134.7265 22.12341 486.6298       137.5578 656.3361       277.1827 431.1763       158.4461 141.0427 39.52865 123.0452 27.61427 17.99746       48.21890 
1 1 1 6   -7  31 o 140.0996 24.49447 544.0750       158.0938 139.9698       407.5388 615.6588       171.5256 92.17477 41.98674 148.7902 24.99830 -56.61539      48.86513 
1 1 1 6   -7  32 o 66.72292 29.06532 52.12440       173.8883 6.736787       242.3282 100.3024       249.6662 70.75654 32.28661 77.75933 34.31931 -7.002792      47.11943 
1 1 1 6   -7  33 o 108.5578 33.06153 401.5673       187.0057 623.4617       268.1920 191.5899       260.8910 126.6329 39.77034 82.68475 35.81296 43.94816       53.51867 
1 1 1 6   -6  0  o 201.1647 7.540822 970.1860       72.39514 970.1860       72.39514 0.000000       0.000000 201.1647 7.540822 ?        ?        0.000000       7.540822 
1 1 1 6   -6  1  o 494.0716 7.392164 5843.804       174.6103 5843.804       174.6103 0.000000       0.000000 494.0716 7.392164 ?        ?        0.000000       7.392164 
1 1 1 6   -6  2  o 248.0794 7.269504 1474.508       86.12618 1474.508       86.12618 0.000000       0.000000 248.0794 7.269504 ?        ?        0.000000       7.269504 
1 1 1 6   -6  3  o 205.8897 6.034678 1015.187       59.33735 1011.177       74.74001 1022.023       97.59004 205.3696 7.625413 206.2608 9.925605 -0.8911438     12.51657 
1 1 1 6   -6  4  f 133.6717 7.959789 429.3730       50.63820 454.8033       80.65955 412.8297       65.05644 137.0894 12.44213 130.8032 10.49102 6.286224       16.27477 
1 1 1 6   -6  5  o 159.2977 8.002141 609.1911       60.74787 607.6647       98.27367 610.1351       77.28145 158.5326 13.08247 159.2090 10.20688 -0.6763458     16.59311 
1 1 1 6   -6  6  o 342.8581 7.333793 2814.271       120.2130 2877.098       177.4033 2760.929       163.4646 346.2002 10.73126 339.2151 10.09074 6.985107       14.73034 
1 1 1 6   -6  7  o 451.0164 9.882217 4876.310       213.0861 4919.078       237.2923 4698.184       484.2695 452.8427 10.96043 439.3510 23.13666 13.49170       25.60148 
1 1 1 6   -6  8  o 328.2508 7.651592 2580.215       120.0787 2849.673       185.0764 2384.329       157.8003 344.4308 11.25445 315.1281 10.48861 29.30270       15.38419 
1 1 1 6   -6  9  o 179.7272 9.233410 776.2804       79.07264 682.9705       133.5951 826.5960       98.10209 167.4385 16.92080 185.2597 11.12744 -17.82117      20.25175 
1 1 1 6   -6  10 f 206.4346 8.869312 1023.304       87.33059 1044.878       135.1328 1007.832       114.4389 207.9671 13.66695 204.5154 11.75364 3.451675       18.02591 
1 1 1 6   -6  11 o 48.42975 16.74432 51.22190       47.16039 -34.73249      146.8610 61.10459       49.79780 60.02910 26.41449 51.68857 17.21369 8.340530       31.52834 
1 1 1 6   -6  12 o 258.9301 12.20624 1615.811       150.6776 1545.094       222.2720 1675.942       204.9598 251.8301 18.59269 262.8684 16.39035 -11.03836      24.78572 
1 1 1 6   -6  13 f 198.7564 11.66402 953.1495       110.3480 961.0966       206.0701 949.9547       130.6600 197.2256 22.24210 198.0401 13.88812 -0.8144684     26.22196 
1 1 1 6   -6  14 o 305.9101 9.452554 2248.612       138.0797 2463.502       229.3560 2126.450       172.9300 318.9592 15.08338 296.9605 12.20647 21.99872       19.40377 
1 1 1 6   -6  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -6  16 o 384.7920 11.97937 3571.772       220.1097 3514.204       398.0740 3597.123       264.1665 377.5723 22.14966 385.3953 14.36228 -7.823029      26.39853 
1 1 1 6   -6  17 o 139.7987 16.17631 480.7402       106.1237 432.5525       159.1659 519.3076       142.3939 129.5693 26.58654 143.9554 21.33452 -14.38617      34.08821 
1 1 1 6   -6  18 o 307.1415 12.93964 2283.881       189.5811 2605.724       305.2673 2081.821       241.8792 325.4596 19.71132 291.7101 17.42297 33.74951       26.30771 
1 1 1 6   -6  19 o 331.4286 12.48364 2657.612       197.4525 2941.151       339.0568 2512.105       242.8893 345.1737 20.64023 321.0269 15.87478 24.14673       26.03896 
1 1 1 6   -6  20 f 275.3156 13.78119 1841.239       180.8185 1850.502       270.7390 1833.780       242.9449 273.2267 20.88446 272.9307 18.73219 0.2960510      28.05451 
1 1 1 6   -6  21 o 273.1256 14.37112 1816.294       186.9953 1820.281       322.9672 1814.283       229.3482 268.3036 25.48370 271.6820 17.75465 -3.378326      31.05876 
1 1 1 6   -6  22 o 51.33012 22.51424 -18.30880      105.9142 138.0428       316.7850 -37.98598      112.3815 98.58031 40.91521 50.81760 22.69174 47.76271       46.78643 
1 1 1 6   -6  23 o 178.2561 18.80161 791.2444       157.8206 707.5635       233.3560 861.7836       214.2500 163.0474 31.07023 183.3938 25.09325 -20.34645      39.93783 
1 1 1 6   -6  24 o 125.3433 20.14459 398.4405       116.6276 559.9236       217.0578 332.8972       138.2854 143.7346 32.36793 112.3782 26.22032 31.35640       41.65559 
1 1 1 6   -6  25 o 36.90685 17.97909 -176.2812      102.2585 -65.81001      204.8577 -212.9420      118.0126 67.20502 30.27250 39.02600 19.07723 28.17903       35.78219 
1 1 1 6   -6  26 o 68.35637 29.85586 -5.011280      184.5213 -200.3464      380.7140 54.96247       210.9548 83.88772 39.05187 77.85606 32.91937 6.031662       51.07577 
1 1 1 6   -6  27 o 206.1624 18.79971 1067.057       183.2608 1332.177       283.6136 877.0132       240.1219 225.2551 26.86451 181.1663 28.67704 44.08882       39.29471 
1 1 1 6   -6  28 o 141.1678 26.93635 535.2189       175.1644 413.3568       259.6680 636.9759       237.2826 118.7206 39.30052 149.8613 33.91254 -31.14070      51.90945 
1 1 1 6   -6  29 o 136.0158 24.60818 492.0102       154.1319 773.3085       430.5792 450.6675       165.0702 149.3214 50.62414 128.3850 27.70710 20.93646       57.71037 
1 1 1 6   -6  30 o 46.47607 21.79794 -102.3789      122.3070 -174.9188      258.7655 -81.51141      138.7885 66.56778 31.37220 51.79185 23.92529 14.77592       39.45420 
1 1 1 6   -6  31 o 85.82182 27.95701 206.4147       131.6158 387.5692       244.3140 132.3449       156.2229 110.0624 38.10838 75.84576 29.67854 34.21662       48.30181 
1 1 1 6   -6  32 o 154.6667 22.63469 648.2897       162.4168 756.9509       393.6975 626.0037       178.2961 135.9940 48.27716 149.3339 25.91241 -13.33990      54.79176 
1 1 1 6   -6  33 o 63.17704 25.81294 76.23181       123.5073 -3.408373      210.0548 118.3128       152.6896 66.68680 30.28542 71.60879 28.90498 -4.921989      41.86531 
1 1 1 6   -6  34 o 93.47434 30.08541 282.5969       152.6931 702.8005       376.8248 200.0474       167.0194 119.7525 46.30787 80.83750 30.94062 38.91496       55.69328 
1 1 1 6   -5  0  o 1040.557 13.09687 25991.27       651.5410 25991.27       651.5410 0.000000       0.000000 1040.557 13.09687 ?        ?        0.000000       13.09687 
1 1 1 6   -5  1  o 643.6579 7.792280 9918.136       239.7883 9918.136       239.7883 0.000000       0.000000 643.6579 7.792280 ?        ?        0.000000       7.792280 
1 1 1 6   -5  2  o 782.4145 8.181069 14657.45       306.0239 14657.45       306.0239 0.000000       0.000000 782.4145 8.181069 ?        ?        0.000000       8.181069 
1 1 1 6   -5  3  o 304.3055 5.776167 2215.394       84.03455 2186.348       104.1989 2269.434       142.1283 302.2355 7.211229 307.6180 9.676109 -5.382507      12.06768 
1 1 1 6   -5  4  o 527.1629 7.508933 6652.235       189.2480 6374.440       271.0509 6916.462       264.3492 515.6318 10.99519 537.2049 10.29271 -21.57312      15.06101 
1 1 1 6   -5  5  o 116.3918 8.612851 326.1929       47.58716 321.9117       76.78376 328.8628       60.63643 114.8868 14.28728 116.6041 11.00732 -1.717216      18.03573 
1 1 1 6   -5  6  o 579.1298 7.852221 8029.687       217.4086 7251.723       312.8088 8756.645       302.3807 549.8124 11.90025 604.4167 10.46428 -54.60431      15.84667 
1 1 1 6   -5  7  o 381.9171 7.532712 3491.747       137.5399 3414.063       204.1966 3556.260       186.0844 377.1324 11.33809 385.0745 10.11657 -7.942017      15.19530 
1 1 1 6   -5  8  o 564.7940 7.940621 7637.874       214.4139 7132.044       312.9316 8085.486       294.3727 545.1959 12.00573 580.7347 10.60258 -35.53888      16.01725 
1 1 1 6   -5  9  o 443.1080 10.50404 4707.466       222.5228 4690.528       250.1769 4771.625       486.9106 441.9746 11.85042 443.0404 23.06726 -1.065765      25.93320 
1 1 1 6   -5  10 o 710.3504 10.72980 12101.06       364.3951 11024.66       1133.852 12225.04       384.8089 666.4456 35.71680 713.8603 11.27518 -47.41467      37.45423 
1 1 1 6   -5  11 o 398.0176 10.91318 3803.047       207.4684 3925.932       247.3388 3511.355       381.0704 404.0779 12.81943 380.2240 21.04528 23.85388       24.64228 
1 1 1 6   -5  12 o 364.3936 9.740728 3185.947       169.5434 3104.637       359.6724 3209.176       192.2416 357.2465 21.15336 365.5317 11.01310 -8.285278      23.84854 
1 1 1 6   -5  13 o 291.6384 9.759824 2042.211       135.8885 1962.179       242.6599 2078.775       164.0184 284.3525 17.94123 293.9579 11.69410 -9.605347      21.41588 
1 1 1 6   -5  14 o 619.8635 12.51495 9241.001       370.8799 9204.588       405.9875 9424.646       911.7427 618.2567 13.73521 615.7057 31.07399 2.551025       33.97424 
1 1 1 6   -5  15 o 510.9385 14.09732 6298.352       344.0316 6298.352       344.0316 0.000000       0.000000 510.9385 14.09732 ?        ?        0.000000       14.09732 
1 1 1 6   -5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -5  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -5  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -5  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -5  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -5  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -5  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -5  24 o 75.66627 28.48489 116.8190       140.1417 0.000000       0.000000 116.8190       140.1417 ?        ?        75.66627 28.48489 0.000000       28.48489 
1 1 1 6   -5  25 o 195.5934 18.64970 951.8245       172.2866 1706.632       406.0324 786.0842       190.2639 251.9141 34.62849 175.6897 23.21966 76.22435       41.69275 
1 1 1 6   -5  26 o 168.2257 23.20904 722.5995       181.6944 710.2661       260.9266 734.2095       253.1587 160.7252 34.95449 164.3997 33.35120 -3.674500      48.31272 
1 1 1 6   -5  27 o 126.7796 29.52696 432.6544       175.6220 266.5389       246.4587 604.0165       250.3204 103.4570 37.99694 146.9853 35.92902 -43.52832      52.29400 
1 1 1 6   -5  28 o 221.3817 19.09101 1229.947       200.0872 1249.715       291.9218 1212.433       274.7870 216.8504 28.87471 214.5926 27.40864 2.257782       39.81184 
1 1 1 6   -5  29 o 59.69315 27.37207 -86.36244      177.0076 -8.777301      246.5720 -168.8597      254.2579 76.25021 33.85649 67.45702 31.57080 8.793190       46.29230 
1 1 1 6   -5  30 o 128.0638 35.73827 481.7487       227.0901 130.2596       418.5109 628.4233       270.3512 100.5428 44.40168 144.5417 38.45377 -43.99895      58.73842 
1 1 1 6   -5  31 o 128.2868 30.68406 469.4322       185.6559 328.8962       250.2858 641.3588       276.8305 105.9408 38.38527 143.4834 39.23538 -37.54266      54.88938 
1 1 1 6   -5  32 o 115.0920 30.62144 391.0667       171.4273 385.8290       219.3687 399.2823       274.7415 110.8033 36.09297 110.5092 40.19145 0.2941055      54.01903 
1 1 1 6   -5  33 o 162.8892 24.37151 731.7806       183.9700 734.8711       240.2225 727.3972       286.0937 154.4622 33.49650 145.9730 39.87432 8.489182       52.07664 
1 1 1 6   -5  34 o 62.02728 26.22937 56.41455       133.9485 52.09070       220.0081 58.96136       168.8503 71.62012 31.88003 66.73316 28.85758 4.886963       43.00112 
1 1 1 6   -5  35 o 61.65271 27.30498 32.23082       159.3647 -57.56985      386.6993 50.60276       174.9085 75.93705 36.49376 65.08453 28.72526 10.85252       46.44281 
1 1 1 6   -4  0  o 257.2002 6.839636 1584.140       84.02859 1584.140       84.02859 0.000000       0.000000 257.2002 6.839636 ?        ?        0.000000       6.839636 
1 1 1 6   -4  1  o 407.1267 7.097463 3966.783       138.1469 3966.783       138.1469 0.000000       0.000000 407.1267 7.097463 ?        ?        0.000000       7.097463 
1 1 1 6   -4  2  o 178.6046 6.874106 764.4922       58.58760 764.4922       58.58760 0.000000       0.000000 178.6046 6.874106 ?        ?        0.000000       6.874106 
1 1 1 6   -4  3  o 94.09723 7.078926 213.0935       31.61233 224.5125       47.46128 203.9878       42.38185 96.22691 10.48599 91.75626 9.813518 4.470642       14.36180 
1 1 1 6   -4  4  o 468.1324 7.096391 5244.646       158.8234 5543.171       226.8482 4957.619       222.4373 481.0129 9.864388 454.8601 10.22872 26.15280       14.21031 
1 1 1 6   -4  5  o 468.4195 7.220996 5251.316       161.7113 5350.667       231.5589 5156.733       225.9335 472.5431 10.24971 463.9072 10.18688 8.635864       14.45092 
1 1 1 6   -4  6  o 620.9877 7.718390 9230.880       229.1490 9113.016       327.4884 9343.941       320.7480 616.5552 11.11004 624.3757 10.74508 -7.820496      15.45606 
1 1 1 6   -4  7  o 222.8586 7.181139 1189.903       76.41241 1246.023       112.7850 1142.287       103.8892 227.7865 10.38385 218.1168 9.989127 9.669769       14.40858 
1 1 1 6   -4  8  o 433.5294 7.331220 4498.554       151.9509 4700.850       219.4426 4312.214       210.6114 442.8864 10.36383 424.1818 10.38536 18.70465       14.67190 
1 1 1 6   -4  9  o 214.2775 10.49459 1103.135       107.1834 1053.431       153.2267 1150.758       149.9857 208.7548 15.46264 218.3826 14.44679 -9.627792      21.16136 
1 1 1 6   -4  10 o 330.5316 7.646220 2615.408       120.8282 2571.608       176.3912 2654.128       165.8492 327.2775 11.29025 332.5967 10.44301 -5.319183      15.37940 
1 1 1 6   -4  11 o 559.8956 7.920012 7505.861       212.0026 7323.902       306.1623 7673.481       293.8504 552.5540 11.58961 565.7066 10.86492 -13.15265      15.88602 
1 1 1 6   -4  12 o 499.4364 10.34919 5980.049       247.1127 6041.063       272.8356 5701.474       582.9827 501.8263 11.37206 483.5473 25.30594 18.27905       27.74373 
1 1 1 6   -4  13 o 215.6564 9.416271 1116.694       96.85043 1107.424       149.8914 1123.339       126.8969 214.0698 14.73569 215.9559 12.34212 -1.886124      19.22157 
1 1 1 6   -4  14 o 138.2135 12.67341 462.7406       82.81245 293.3047       134.8679 565.2849       104.9208 107.5070 26.42915 152.5920 14.55832 -45.08492      30.17358 
1 1 1 6   -4  15 o 281.7969 9.332568 1906.132       125.5585 1677.540       194.2094 2070.294       164.5796 263.3540 15.49333 293.3448 11.75900 -29.99078      19.45038 
1 1 1 6   -4  16 o 172.7738 13.87221 723.5190       113.6239 811.9180       172.1990 655.3517       151.2151 181.7823 20.15205 163.1798 19.78676 18.60251       28.24218 
1 1 1 6   -4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -4  18 o 247.7124 12.43445 1481.603       146.7885 1825.269       239.4957 1274.828       185.7716 273.4622 18.42616 228.6781 17.11625 44.78413       25.14934 
1 1 1 6   -4  19 o 382.6255 13.28287 3537.911       242.6135 3779.529       322.7414 3223.966       367.8893 394.0760 17.17157 362.1326 21.34378 31.94339       27.39379 
1 1 1 6   -4  20 o 163.2118 16.43611 653.5065       126.5057 510.1052       185.9337 777.1059       172.6195 140.3105 28.68686 176.8475 20.81471 -36.53705      35.44275 
1 1 1 6   -4  21 o 128.5411 20.07924 414.3596       119.3617 491.6628       219.5640 381.9298       142.2116 135.7871 33.92227 121.8010 25.25143 13.98610       42.28895 
1 1 1 6   -4  22 o 177.6693 18.43225 780.0994       154.2943 769.8533       361.0766 782.3882       170.6604 165.2598 44.65173 177.2524 20.51715 -11.99260      49.13991 
1 1 1 6   -4  23 o 256.9919 14.70080 1609.111       179.8678 2013.371       288.7197 1352.697       229.9410 284.7019 21.36771 233.3071 20.83384 51.39484       29.84338 
1 1 1 6   -4  24 o 313.6032 14.55242 2395.241       217.5896 2925.836       355.2512 2076.680       275.2647 342.8495 21.78592 289.5621 20.00685 53.28738       29.57872 
1 1 1 6   -4  25 o 81.40919 30.59132 138.9759       161.4749 110.1371       225.9507 169.0783       230.8480 85.87691 34.97942 92.46985 36.10818 -6.592934      50.27285 
1 1 1 6   -4  26 o 52.23943 24.64567 -158.9554      160.4688 -145.0565      223.3633 -173.7807      230.6881 65.19672 30.19982 64.76595 30.23282 0.4307709      42.73234 
1 1 1 6   -4  27 o 88.38571 34.03748 162.6436       202.9769 261.4694       365.6848 118.6387       244.0182 110.9813 44.75554 88.22179 36.19144 22.75948       57.55761 
1 1 1 6   -4  28 f 64.12203 27.93783 -5.346094      160.7262 -92.90445      209.8159 119.0027       250.0406 65.92972 30.06823 88.61463 36.52369 -22.68491      47.30834 
1 1 1 6   -4  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -4  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -4  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -4  33 o 45.20554 21.36017 -109.8401      121.3975 -83.00445      213.0751 -122.7377      147.7170 63.75896 29.52067 50.01651 23.61188 13.74245       37.80199 
1 1 1 6   -4  34 o 198.7472 20.61416 1048.787       193.0319 1265.543       267.3458 812.7155       279.0039 211.2688 27.09121 157.3177 37.60712 53.95107       46.34899 
1 1 1 6   -4  35 o 98.54766 36.96297 338.5450       235.5120 124.4696       466.3601 411.8288       272.8615 89.04432 42.01128 104.8922 39.68920 -15.84789      57.79429 
1 1 1 6   -4  36 o 58.46884 26.35970 4.012724       155.7021 352.3813       484.8628 -36.04229      164.4098 93.07298 43.57161 56.58630 26.10445 36.48669       50.79299 
1 1 1 6   -3  0  o 297.5515 6.947009 2118.982       98.82538 2118.982       98.82538 0.000000       0.000000 297.5515 6.947009 ?        ?        0.000000       6.947009 
1 1 1 6   -3  1  o 447.4865 7.138114 4792.867       152.7115 4792.867       152.7115 0.000000       0.000000 447.4865 7.138114 ?        ?        0.000000       7.138114 
1 1 1 6   -3  2  o 49.61160 8.168334 60.48215       18.70058 60.48215       18.70058 0.000000       0.000000 49.61160 8.168334 ?        ?        0.000000       8.168334 
1 1 1 6   -3  3  o 852.9607 8.219270 17420.50       335.1743 18278.14       476.0791 16577.63       471.9637 873.0314 11.40620 831.3172 11.87500 41.71423       16.46563 
1 1 1 6   -3  4  o 202.7564 6.759758 984.8913       65.43446 1022.398       94.42463 950.2390       90.76069 206.3582 9.597241 198.9290 9.571225 7.429199       13.55416 
1 1 1 6   -3  5  o 647.9950 7.725443 10051.52       239.3335 10035.38       341.1598 10067.15       335.8401 647.0037 11.02917 648.0583 10.83952 -1.054626      15.46408 
1 1 1 6   -3  6  o 188.7643 7.178155 853.9951       64.66199 847.3205       94.00671 859.9888       89.08352 187.7420 10.51546 189.2061 9.882386 -1.464142      14.43040 
1 1 1 6   -3  7  o 337.5851 8.782349 2730.836       141.6228 2672.668       300.0225 2747.513       160.6472 332.4972 18.95221 338.5006 9.937469 -6.003448      21.39952 
1 1 1 6   -3  8  o 173.7919 7.747057 724.4103       64.20691 743.3433       96.01810 709.0968       86.35345 175.7076 11.49330 171.6924 10.57137 4.015137       15.61569 
1 1 1 6   -3  9  o 738.2573 11.19454 13065.81       395.1141 13053.93       416.4832 13172.71       1249.559 737.8031 11.80725 730.8582 35.87105 6.944946       37.76431 
1 1 1 6   -3  10 o 64.46815 13.15067 103.3656       39.15759 58.79416       78.65495 118.0525       45.15047 57.03389 21.36753 68.86169 14.18669 -11.82780      25.64826 
1 1 1 6   -3  11 o 316.9541 8.970445 2407.997       135.7944 2347.396       275.8505 2427.380       156.0066 311.5328 18.60564 318.0938 10.27186 -6.561005      21.25279 
1 1 1 6   -3  12 o 454.6791 16.85145 4983.287       365.6778 4727.814       518.8534 5235.424       515.4563 440.7375 24.72298 464.3179 23.29472 -23.58047      33.96865 
1 1 1 6   -3  13 o 292.5918 10.21451 2054.469       142.6663 2120.229       179.2098 1940.681       235.7402 296.9372 12.65277 283.2820 17.49161 13.65518       21.58817 
1 1 1 6   -3  14 o 609.1392 21.36729 8991.362       621.2999 8958.870       880.8055 9023.537       876.5118 603.7667 30.61415 606.0911 30.34556 -2.324341      43.10545 
1 1 1 6   -3  15 o 429.6178 16.24316 4452.566       333.0260 4255.673       473.6859 4645.007       468.3002 417.8139 23.81229 437.0151 22.48965 -19.20123      32.75377 
1 1 1 6   -3  16 o 297.8362 9.401449 2128.718       133.7015 2078.609       207.0908 2164.532       175.0797 293.4630 14.80829 299.9334 12.23532 -6.470459      19.20907 
1 1 1 6   -3  17 o 179.9362 13.48201 783.4854       115.1364 1002.776       187.6390 651.0602       145.8137 202.4545 19.63210 162.8612 19.08902 39.59322       27.38266 
1 1 1 6   -3  18 o 713.4629 13.47027 12261.38       459.4689 12242.34       498.4681 12368.96       1184.943 712.4199 14.63501 700.1480 35.51568 12.27185       38.41285 
1 1 1 6   -3  19 o 163.7251 17.32907 656.8180       133.5870 516.5536       189.9400 794.1108       187.9174 141.8484 28.98809 178.8361 22.47384 -36.98766      36.67946 
1 1 1 6   -3  20 o 329.2545 12.61834 2617.354       198.2612 2975.529       342.4388 2436.754       243.1608 348.2684 20.65934 316.6810 16.11362 31.58737       26.20032 
1 1 1 6   -3  21 o 67.13477 26.28654 71.85555       122.6182 306.1139       164.6629 -219.7440      183.7137 108.5068 30.48707 54.16617 25.79115 54.34060       39.93301 
1 1 1 6   -3  22 o 82.22625 27.46659 162.8277       126.7691 372.5214       171.9911 -86.59645      187.5783 119.0688 30.17916 63.38953 28.72097 55.67925       41.66145 
1 1 1 6   -3  23 o 321.2183 14.64105 2508.432       224.2526 2549.171       332.8593 2474.573       303.4581 320.5763 21.84863 316.6906 20.14711 3.885651       29.71984 
1 1 1 6   -3  24 o 218.1159 14.26812 1159.171       147.9692 1208.502       231.6061 1125.148       192.3418 219.7891 22.35183 213.3054 19.06161 6.483658       29.37600 
1 1 1 6   -3  25 f 572.6800 12.32357 7934.778       337.4092 8000.017       806.8873 7920.953       371.4435 557.6831 30.37805 571.4382 13.59613 -13.75513      33.28184 
1 1 1 6   -3  26 o 228.5189 15.56021 1280.219       168.9847 1151.188       247.9214 1392.182       230.9418 212.5745 24.86381 236.1602 20.66236 -23.58572      32.32866 
1 1 1 6   -3  27 o 42.87700 20.83987 -220.7950      135.2633 -270.4232      183.8874 -162.2833      199.6680 50.97168 24.66153 59.87356 28.00717 -8.901878      37.31746 
1 1 1 6   -3  28 o 42.66433 20.81506 -238.9240      138.5198 -276.6714      189.9155 -196.0165      202.4807 51.80093 25.06269 58.34928 27.57539 -6.548347      37.26312 
1 1 1 6   -3  29 o 61.70370 24.55128 58.51603       108.5257 -188.6512      202.7114 157.8230       128.4910 58.66006 27.68256 80.37608 27.64499 -21.71603      39.12250 
1 1 1 6   -3  30 o 91.31164 25.58279 222.1623       116.1213 243.4421       211.2083 212.9433       139.0175 97.39385 35.26535 89.78876 28.68741 7.605087       45.46001 
1 1 1 6   -3  31 o 44.54387 20.83967 -94.31429      110.6209 -313.4038      212.3082 -12.67061      129.6036 53.56124 26.05018 56.50122 24.83976 -2.939980      35.99480 
1 1 1 6   -3  32 o 154.3921 29.83690 660.8372       212.2652 810.0396       282.9464 468.7766       321.0225 165.7767 36.67327 122.3876 43.57897 43.38918       56.95661 
1 1 1 6   -3  33 o 63.52893 30.02318 -173.7886      240.0207 56.99036       402.6132 -301.0304      298.9542 92.33581 41.93176 65.92676 31.78540 26.40905       52.61734 
1 1 1 6   -3  34 o 96.30412 31.75225 277.7758       169.5546 910.4534       521.5475 203.0062       179.2938 139.3038 54.30891 85.79846 32.23624 53.50537       63.15563 
1 1 1 6   -3  35 o 162.9699 25.29820 745.9111       190.7207 918.5681       464.3188 710.8683       209.1817 139.5187 51.98687 155.2879 29.24866 -15.76920      59.64997 
1 1 1 6   -3  36 o 158.1283 39.72277 912.5134       299.8703 1277.880       801.6293 853.0682       323.3459 120.1409 56.17227 145.7966 43.26760 -25.65573      70.90423 
1 1 1 6   -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -2  3  o 207.3116 6.639941 1029.893       65.72578 1072.073       94.14411 989.7856       91.80076 211.2693 9.343813 202.9676 9.486682 8.301636       13.31555 
1 1 1 6   -2  4  o 163.8349 6.793730 643.6625       53.09819 657.4522       77.02930 631.1777       73.29422 165.3074 9.790494 161.9894 9.505779 3.318069       13.64601 
1 1 1 6   -2  5  o 432.7259 7.158787 4482.880       148.1019 4525.234       211.8058 4442.361       207.1668 434.4295 10.19789 430.4499 10.06674 3.979614       14.32956 
1 1 1 6   -2  6  o 418.4592 7.275211 4191.934       145.5483 3979.271       208.3953 4394.463       203.3695 407.2225 10.71335 428.1806 9.934603 -20.95807      14.61068 
1 1 1 6   -2  7  o 613.2547 7.746648 9003.717       227.1240 8898.077       324.6211 9105.021       317.8885 609.1503 11.14664 616.2543 10.78963 -7.103943      15.51334 
1 1 1 6   -2  8  o 187.5090 7.721336 843.0883       69.07055 792.6841       102.0868 885.6413       93.79959 181.4154 11.83489 191.9689 10.25749 -10.55353      15.66145 
1 1 1 6   -2  9  o 285.5352 7.529133 1952.805       102.6914 1854.485       150.0063 2039.523       140.8782 277.8972 11.31426 291.5812 10.12127 -13.68408      15.18066 
1 1 1 6   -2  10 o 181.9277 8.699535 794.3283       75.44717 778.9437       123.7290 803.4348       95.19275 179.5097 14.54140 182.7605 10.94479 -3.250748      18.20002 
1 1 1 6   -2  11 o 337.0063 13.35097 2730.141       214.6837 2734.529       305.1819 2725.842       302.0594 336.3081 19.05874 335.8050 18.89085 0.5031128      26.83467 
1 1 1 6   -2  12 o 351.6722 7.885646 2960.642       132.5817 2949.696       194.5742 2970.129       181.1432 350.5319 11.62655 351.8494 10.78126 -1.317444      15.85598 
1 1 1 6   -2  13 o 224.3976 9.554009 1208.521       102.2627 1323.863       171.3652 1144.729       127.4421 234.1654 15.39239 218.0942 12.27202 16.07126       19.68574 
1 1 1 6   -2  14 o 91.82248 12.21537 205.8247       52.29554 212.0581       81.93011 201.5390       67.93461 92.07722 19.23286 90.15028 16.36469 1.926949       25.25284 
1 1 1 6   -2  15 o 339.4148 10.60852 2764.782       171.9334 2828.893       208.9689 2630.439       302.5003 343.0297 12.76438 329.5455 19.28431 13.48413       23.12605 
1 1 1 6   -2  16 o 445.0704 10.46684 4749.995       222.7166 4904.230       501.6384 4712.128       248.5572 448.8471 23.45816 442.9597 11.74728 5.887451       26.23516 
1 1 1 6   -2  17 o 419.7689 11.78178 4233.880       236.2107 4051.623       460.8388 4298.826       275.0963 407.4168 23.76243 422.6116 13.63338 -15.19476      27.39566 
1 1 1 6   -2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -2  19 o 95.67567 26.34914 232.2022       124.3449 407.7324       161.7678 -21.27117      194.3938 126.3193 27.56295 70.71774 30.76937 55.60157       41.30944 
1 1 1 6   -2  20 o 350.2920 12.22067 2957.296       204.3468 3103.430       323.3344 2860.109       263.6836 356.8093 19.02304 343.4491 16.10362 13.36026       24.92393 
1 1 1 6   -2  21 o 303.5680 13.18066 2227.426       190.8383 1548.377       294.1506 2720.996       250.7802 249.2397 25.02383 334.8252 15.71011 -85.58556      29.54657 
1 1 1 6   -2  22 o 58.63273 25.10684 2.011423       125.4341 4.325227       160.9808 -1.564289      200.1207 66.23324 28.40370 72.78522 31.44536 -6.551987      42.37430 
1 1 1 6   -2  23 o 206.7209 16.12948 1045.196       158.1481 1212.515       295.4519 978.0032       187.2289 217.5504 29.13861 198.7220 19.97767 18.82835       35.32940 
1 1 1 6   -2  24 o 138.0646 17.91116 473.1851       115.4426 304.0331       185.7896 579.5656       147.3377 107.9025 32.97199 152.1233 20.80302 -44.22076      38.98612 
1 1 1 6   -2  25 o 135.9896 20.85546 465.9702       131.2725 543.3251       294.6671 446.8167       146.6265 139.9012 41.24961 132.0284 24.11777 7.872849       47.78282 
1 1 1 6   -2  26 o 172.0657 16.00553 728.2284       130.1559 710.7820       206.8330 739.6664       167.4724 165.8394 27.01611 171.7965 20.81413 -5.957138      34.10422 
1 1 1 6   -2  27 o 157.4918 20.89799 625.3797       153.4717 641.4507       210.3736 607.0964       224.3871 155.8923 29.30202 150.1816 32.21726 5.710709       43.54951 
1 1 1 6   -2  28 o 300.7658 15.03333 2214.815       215.4831 2873.871       352.4311 1821.346       272.3129 338.3525 21.90467 269.4393 21.31318 68.91315       30.56250 
1 1 1 6   -2  29 o 286.1024 14.72741 2004.043       200.7669 2232.127       304.8750 1829.400       266.7780 298.0688 21.53954 270.1508 20.81590 27.91800       29.95419 
1 1 1 6   -2  30 o 81.98008 27.66072 167.8821       128.5421 -68.36784      335.3641 208.5672       139.1709 84.88020 38.43610 89.55012 28.71277 -4.669922      47.97663 
1 1 1 6   -2  31 o 262.8853 15.78206 1710.751       197.4395 1844.498       291.0723 1596.765       268.7097 268.0212 22.93580 249.3748 22.79000 18.64641       32.33319 
1 1 1 6   -2  32 o 170.1428 17.73313 730.0694       142.1326 1397.123       241.7800 377.8204       175.6973 232.9484 21.96907 115.7466 31.09269 117.2018       38.07093 
1 1 1 6   -2  33 o 58.17275 24.56447 27.73582       117.2103 9.168827       196.0843 38.05835       146.2060 69.59642 30.57660 64.57435 27.35926 5.022072       41.02996 
1 1 1 6   -2  34 o 174.5083 22.01980 805.7583       179.6301 831.9443       242.0908 773.6812       267.9422 169.9053 30.94285 158.7169 36.12529 11.18845       47.56570 
1 1 1 6   -2  35 o 81.57648 29.30909 185.3938       145.5450 647.3781       360.7214 95.55836       159.0678 128.0004 46.12192 70.65936 29.12809 57.34101       54.54976 
1 1 1 6   -2  36 o 44.15351 21.10006 -128.8036      125.3078 -66.83081      212.0969 -162.0344      155.3117 62.91082 29.23962 48.26703 23.17837 14.64378       37.31209 
1 1 1 6   -2  37 o 67.76678 31.03919 16.17159       226.7527 -104.7827      387.1416 79.33395       279.7618 74.34783 35.92573 75.71416 34.60289 -1.366325      49.88004 
1 1 1 6   -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -1  4  o 336.2643 6.924984 2708.455       111.3289 2674.380       158.1056 2741.964       156.7883 333.6406 9.922999 337.8683 9.716483 -4.227783      13.88798 
1 1 1 6   -1  5  o 160.6421 7.077679 619.2900       54.22396 585.4001       78.43155 650.3196       75.04878 155.7896 10.59339 164.3636 9.592263 -8.574005      14.29096 
1 1 1 6   -1  6  o 204.6832 7.144674 1004.555       69.80820 970.1684       100.5078 1036.605       97.03139 200.7837 10.50695 207.6502 9.801648 -6.866486      14.36900 
1 1 1 6   -1  7  o 493.9836 9.561500 5850.657       225.8119 5636.188       579.5935 5889.037       245.1859 479.9099 25.35121 495.4738 10.35062 -15.56400      27.38283 
1 1 1 6   -1  8  o 127.2178 8.506522 389.4165       51.44055 339.1123       75.79135 432.3806       70.04394 118.0061 13.68764 133.8025 11.04796 -15.79637      17.59002 
1 1 1 6   -1  9  o 675.2151 10.59301 10930.43       341.9557 10609.35       1039.155 10969.42       362.1241 656.0070 33.24157 676.3016 11.19976 -20.29462      35.07758 
1 1 1 6   -1  10 o 220.5715 10.60034 1168.791       111.4562 1159.175       158.6861 1178.153       156.5807 219.0794 15.24569 220.9224 14.91222 -1.843018      21.32617 
1 1 1 6   -1  11 o 635.4631 10.50651 9677.142       319.1959 9280.869       923.2320 9730.940       340.1740 615.4534 31.48129 637.1235 11.16784 -21.67010      33.40348 
1 1 1 6   -1  12 o 636.5697 8.143466 9701.078       247.8355 9575.788       354.0353 9821.477       347.0537 631.9402 11.71824 640.0584 11.34145 -8.118225      16.30784 
1 1 1 6   -1  13 o 127.7712 11.82061 394.8222       71.38891 443.2174       109.4727 359.0145       94.16582 134.6003 17.42000 121.0406 16.71845 13.55965       24.14463 
1 1 1 6   -1  14 o 443.1858 8.138889 4702.603       172.4485 4810.805       249.9395 4604.294       238.2389 447.7282 11.68647 438.0506 11.38540 9.677612       16.31567 
1 1 1 6   -1  15 o 281.9255 9.030525 1905.774       121.5612 1952.661       179.9253 1866.397       164.8848 284.8817 13.24677 278.6161 12.40959 6.265656       18.15144 
1 1 1 6   -1  16 o 292.0221 9.324211 2045.250       130.0107 2061.643       192.9121 2031.607       175.9784 292.6148 13.82883 290.6359 12.69552 1.978851       18.77266 
1 1 1 6   -1  17 o 284.3276 11.00609 1942.013       149.3274 2390.195       270.3711 1745.290       179.1265 314.2510 18.07219 269.1038 13.97081 45.14722       22.84266 
1 1 1 6   -1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   -1  19 o 368.7256 15.33294 3283.390       269.7046 3292.047       387.5922 3275.263       375.5333 367.1876 22.18242 366.4698 21.52877 0.7178345      30.91193 
1 1 1 6   -1  20 o 82.89764 24.10150 171.8319       101.2090 103.5682       159.1835 218.1512       131.1247 77.97794 30.11278 93.21691 27.52503 -15.23897      40.79715 
1 1 1 6   -1  21 o 161.1775 23.13671 648.7072       173.1804 546.7081       271.0607 719.0597       225.1169 143.6491 38.63360 167.9479 29.08982 -24.29878      48.36086 
1 1 1 6   -1  22 o 417.5985 16.52367 4237.347       329.2423 4264.482       470.5986 4211.331       460.7940 415.3528 23.79834 412.9536 23.43601 2.399231       33.40071 
1 1 1 6   -1  23 o 109.4017 21.36483 303.5719       107.7356 254.4438       168.8610 337.2990       139.9117 100.1399 31.57210 114.2489 26.17751 -14.10896      41.01291 
1 1 1 6   -1  24 o 306.4335 13.57275 2277.139       198.3506 2160.815       306.5212 2360.939       260.1651 295.1451 21.87840 310.5410 17.59553 -15.39584      28.07610 
1 1 1 6   -1  25 o 177.3203 17.53026 775.2170       146.6699 693.0217       285.0510 804.8141       171.0502 159.3606 37.95866 179.8141 20.24880 -20.45346      43.02179 
1 1 1 6   -1  26 o 82.73830 24.76961 174.2304       105.6090 -34.41368      172.3581 299.6511       133.6329 64.32273 28.44631 107.0819 26.29780 -42.75921      38.73973 
1 1 1 6   -1  27 o 259.8875 14.94610 1649.966       184.9209 1880.976       271.0650 1448.860       252.9130 274.8658 20.78135 240.3345 22.26443 34.53136       30.45602 
1 1 1 6   -1  28 o 110.1833 25.72081 319.1543       133.0136 282.6346       308.4849 327.4946       147.4220 109.5864 42.02319 111.0434 27.82771 -1.456993      50.40168 
1 1 1 6   -1  29 o 62.36160 24.79268 59.75787       110.5825 -121.3703      191.3724 150.5523       135.4927 60.77971 28.08333 79.93450 28.32701 -19.15479      39.88850 
1 1 1 6   -1  30 o 294.0999 15.11040 2121.424       211.7488 2655.368       324.0783 1723.666       279.7123 325.4313 20.94081 260.8899 22.64992 64.54144       30.84698 
1 1 1 6   -1  31 o 104.5099 25.33941 290.6373       125.2826 255.6045       209.7586 310.0651       156.2049 99.29910 35.23992 106.7591 29.58330 -7.459976      46.01112 
1 1 1 6   -1  32 o 153.4301 19.57574 599.9486       140.3283 586.4669       232.7332 607.6498       175.9001 143.0990 34.43702 151.5218 25.16424 -8.422791      42.65146 
1 1 1 6   -1  33 f 67.79771 30.50551 -38.40224      207.3676 -575.7805      368.2589 211.1082       250.9328 66.51814 32.75412 94.37109 37.40236 -27.85295      49.71689 
1 1 1 6   -1  34 o 139.7042 21.21466 511.0711       137.2462 265.7066       216.3996 676.1816       177.5162 97.47020 35.63592 159.1916 24.07556 -61.72144      43.00641 
1 1 1 6   -1  35 f 172.5849 22.40431 797.7646       180.5012 813.6807       239.9940 777.0360       273.8847 166.3455 31.32638 156.2449 37.20204 10.10066       48.63470 
1 1 1 6   -1  36 o 122.8701 27.65737 441.5486       158.5362 -17.52735      367.4180 546.5737       175.7376 81.12388 37.96201 137.0274 27.77764 -55.90354      47.03947 
1 1 1 6   -1  37 o 93.96912 28.58393 273.5477       139.8391 18.44549       232.7031 417.7422       174.9522 69.58688 31.70900 114.0620 31.19149 -44.47512      44.47887 
1 1 1 6   -1  38 o 76.49942 32.73275 160.4763       212.9110 -442.1265      301.5059 759.8574       300.6989 56.21461 28.01623 133.0697 42.15404 -76.85507      50.61494 
1 1 1 6   0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0   2  o 293.8585 9.650387 2076.386       135.3948 0.000000       0.000000 2076.386       135.3948 ?        ?        293.8585 9.650387 0.000000       9.650387 
1 1 1 6   0   3  o 279.7486 6.767790 1875.167       90.51555 1829.202       127.1360 1922.417       128.8989 275.7953 9.657037 282.7622 9.548670 -6.966888      13.58070 
1 1 1 6   0   4  o 238.7491 6.844042 1366.952       78.03946 1355.773       109.4686 1378.505       111.2827 237.3924 9.665483 239.3651 9.744674 -1.972702      13.72517 
1 1 1 6   0   5  o 474.7310 7.299109 5401.379       165.6631 5381.954       233.5094 5421.064       235.0644 473.2621 10.32035 474.9710 10.35169 -1.708954      14.61736 
1 1 1 6   0   6  o 177.3485 8.262419 755.8339       69.86308 760.6828       113.3973 752.8674       88.69534 177.1469 13.49086 176.7069 10.54677 0.4400177      17.12418 
1 1 1 6   0   7  o 297.2986 12.22655 2129.743       173.4114 2088.753       245.1495 2170.793       245.3320 293.1813 17.57048 298.9938 17.23567 -5.812469      24.61280 
1 1 1 6   0   8  o 173.6870 9.654717 725.8444       79.85513 729.8314       113.1110 721.8826       112.7543 173.5904 13.74123 172.6310 13.77594 0.9593964      19.45759 
1 1 1 6   0   9  f 611.6144 10.47598 8973.805       306.3238 9063.857       876.3087 8961.269       326.9500 606.0991 30.33808 611.0340 11.19200 -4.934937      32.33666 
1 1 1 6   0   10 o 642.3080 22.23542 10010.26       681.7758 10383.93       964.5897 9637.222       963.7640 649.6140 31.14915 625.0627 32.36085 24.55121       44.91652 
1 1 1 6   0   11 o 457.8887 9.845512 5023.855       215.5294 4885.711       508.5995 5054.093       237.9517 448.3549 23.81255 459.1483 10.83996 -10.79333      26.16376 
1 1 1 6   0   12 f 224.8612 10.83402 1214.703       116.1269 1306.433       165.1498 1124.991       163.3220 232.7156 14.92241 215.7327 15.94784 16.98285       21.84060 
1 1 1 6   0   13 o 176.7206 10.31929 750.8613       86.80636 699.3915       121.6332 804.2884       123.9243 169.9501 15.12796 182.4539 14.32147 -12.50377      20.83170 
1 1 1 6   0   14 o 231.0866 11.23514 1283.234       123.7536 1242.264       176.0341 1323.268       174.0116 226.6885 16.35263 234.1077 15.63692 -7.419159      22.62569 
1 1 1 6   0   15 o 89.60564 15.07883 198.1759       62.30545 89.09054       111.7242 247.4143       75.06126 68.73487 25.52234 100.1671 16.22891 -31.43226      30.24512 
1 1 1 6   0   16 o 379.1596 10.69416 3449.112       193.6613 3454.338       226.3782 3434.850       373.9781 379.1938 12.50430 376.4601 20.86028 2.733673       24.32096 
1 1 1 6   0   17 o 508.6904 18.36341 6249.264       445.8637 6334.178       631.4771 6164.848       629.6199 509.5501 26.00766 502.5634 26.29619 6.986725       36.98497 
1 1 1 6   0   18 o 218.5271 13.77970 1152.271       143.2309 1027.730       209.3015 1261.964       196.4289 204.8630 21.69931 227.9786 18.17230 -23.11559      28.30358 
1 1 1 6   0   19 o 386.6153 15.71780 3607.471       289.9165 3587.870       414.0566 3626.324       406.0677 383.5920 22.67902 385.8371 22.10587 -2.245056      31.67029 
1 1 1 6   0   20 o 368.8074 15.44416 3286.394       271.7128 3099.674       388.1780 3465.760       380.4582 355.8749 22.93740 377.0103 21.19324 -21.13541      31.22944 
1 1 1 6   0   21 o 112.8685 36.54279 317.3342       225.0616 0.000000       0.000000 317.3342       225.0616 ?        ?        112.8685 36.54279 0.000000       36.54279 
1 1 1 6   0   22 o 269.1227 14.81480 1755.402       189.8785 1707.362       291.2541 1790.912       250.4083 262.7205 23.43408 270.4991 19.49384 -7.778564      30.48222 
1 1 1 6   0   23 o 335.8274 12.81007 2725.178       205.2953 2693.449       310.6937 2749.767       273.5107 331.4550 19.69527 335.9467 17.08535 -4.491638      26.07322 
1 1 1 6   0   24 o 386.3563 15.70917 3631.049       289.5628 3935.125       415.8937 3344.968       403.3994 399.0352 21.88409 367.1197 23.10078 31.91559       31.82074 
1 1 1 6   0   25 o 144.3687 21.02902 523.3016       140.8822 713.1498       181.7063 237.1783       223.0712 168.1703 23.21913 100.6100 36.26740 67.56033       43.06335 
1 1 1 6   0   26 o 144.5319 17.79985 518.2385       120.4001 554.5080       188.8827 493.4153       156.2611 145.9705 28.08511 138.8251 24.43570 7.145370       37.22736 
1 1 1 6   0   27 o 239.5373 17.42826 1412.175       198.2231 1095.210       315.7961 1618.254       254.6347 202.9070 33.73804 254.8564 21.08700 -51.94943      39.78589 
1 1 1 6   0   28 o 104.2314 23.94523 282.8342       116.8107 594.2394       190.8137 96.18747       147.7260 150.7704 27.48422 73.79232 28.86451 76.97813       39.85653 
1 1 1 6   0   29 o 163.6781 17.62479 666.5563       135.7475 758.0872       217.5135 608.1630       173.7335 170.1576 27.68900 153.5267 24.49200 16.63084       36.96673 
1 1 1 6   0   30 o 147.5219 19.65073 548.9753       135.1498 559.4708       215.5317 542.1746       173.4966 143.1985 32.25896 143.8257 26.19652 -0.6271820     41.55596 
1 1 1 6   0   31 o 101.1841 28.64559 274.7089       144.8050 -154.7491      352.3458 361.9853       158.8389 82.37975 38.07863 115.8204 28.80559 -33.44070      47.74666 
1 1 1 6   0   32 o 151.2018 25.13394 602.6758       175.3120 550.4476       234.4537 668.9125       264.0303 138.5072 35.30590 152.0347 36.73779 -13.52750      50.95264 
1 1 1 6   0   33 o 68.66440 26.96684 89.21798       129.3782 224.6459       228.3062 25.15438       157.0251 94.78308 36.20023 65.34991 28.03923 29.43317       45.78925 
1 1 1 6   0   34 o 100.9698 35.69864 288.4630       215.0842 276.3686       368.1186 294.7319       265.0281 105.4536 43.96440 102.9570 39.07896 2.496582       58.82205 
1 1 1 6   0   35 o 51.93679 23.48916 -39.27723      124.7852 -254.0046      222.0845 59.79170       150.8493 56.53272 27.29088 66.74278 28.00668 -10.21006      39.10456 
1 1 1 6   0   36 o 57.46851 26.61912 -74.45020      173.5142 -0.1123361E-03 227.1214 -178.8170      268.9099 70.02673 31.67820 65.14180 31.06921 4.884926       44.37121 
1 1 1 6   0   37 o 54.93572 25.27409 -51.44605      152.6386 -213.6547      400.9461 -23.95263      165.0682 74.81182 36.24846 59.08516 26.83870 15.72666       45.10284 
1 1 1 6   0   38 o 85.74592 32.99652 244.0753       190.6524 235.6526       249.2329 255.9560       296.0065 85.09628 35.87073 87.26727 37.96952 -2.170998      52.23403 
1 1 1 6   1   0  o 176.8436 6.641220 750.3926       56.04969 730.2094       78.72201 771.1439       79.82190 174.1026 9.493558 178.9484 9.362661 -4.845795      13.33368 
1 1 1 6   1   1  o 243.4208 6.733702 1420.956       78.28933 0.000000       0.000000 1420.956       78.28933 ?        ?        243.4208 6.733702 0.000000       6.733702 
1 1 1 6   1   2  o 52.69514 7.265400 67.81167       17.81709 0.000000       0.000000 67.81167       17.81709 ?        ?        52.69514 7.265400 0.000000       7.265400 
1 1 1 6   1   3  o 128.2173 6.839397 395.0823       41.77328 383.7688       57.67099 407.5700       60.58972 126.0273 9.644878 129.8723 9.831324 -3.844940      13.77239 
1 1 1 6   1   4  o 378.5460 7.026555 3434.500       127.1656 3349.643       178.4968 3521.960       181.2124 373.2010 10.01318 382.7096 9.912335 -9.508667      14.08965 
1 1 1 6   1   5  o 107.8282 7.858260 280.3046       40.23239 327.3042       54.16539 222.4630       60.08893 116.3090 9.832965 95.07381 13.60737 21.23517       16.78832 
1 1 1 6   1   6  o 132.7935 8.062239 424.4890       50.94363 445.5088       66.52160 394.6771       79.22140 135.7589 10.32658 127.2566 13.21340 8.502235       16.76998 
1 1 1 6   1   7  o 285.0284 8.825848 1951.299       120.1239 2116.745       234.0892 1892.160       139.9561 295.1189 16.65877 280.4013 10.45840 14.71759       19.66959 
1 1 1 6   1   8  o 63.93894 11.60668 101.3174       34.17352 124.6159       52.57164 84.26888       44.97093 70.42720 15.98125 58.10132 15.78345 12.32588       22.46148 
1 1 1 6   1   9  o 407.1477 9.289238 3976.051       180.8175 4077.394       202.5712 3578.767       401.0807 412.1474 10.28056 382.7040 22.01389 29.44336       24.29612 
1 1 1 6   1   10 o 334.6470 7.708119 2682.358       123.3229 2640.304       173.4653 2725.335       175.3599 331.4980 10.96026 336.8079 10.90467 -5.309937      15.46089 
1 1 1 6   1   11 o 193.1613 9.399671 896.2454       86.54367 990.8799       115.5568 775.3642       130.6020 202.8356 11.96955 178.8457 15.42494 23.98985       19.52432 
1 1 1 6   1   12 o 653.0396 10.71745 10223.28       334.6104 10338.31       357.4581 9408.747       951.1932 656.5834 11.38746 618.6775 32.27007 37.90588       34.22034 
1 1 1 6   1   13 o 226.7984 11.13141 1236.013       120.3289 1289.158       170.3927 1183.145       169.9496 231.0804 15.51326 221.2322 16.17994 9.848221       22.41543 
1 1 1 6   1   14 o 196.3229 10.50955 926.2722       98.28290 1020.611       137.0503 826.3880       141.0207 205.7001 14.01977 184.6968 16.13213 21.00333       21.37287 
1 1 1 6   1   15 o 815.6573 27.86994 16209.52       1085.210 16056.87       1534.615 16362.21       1534.822 803.7803 40.06128 811.7026 39.67072 -7.922302      56.37971 
1 1 1 6   1   16 o 167.5238 11.94733 676.5739       95.05959 825.6277       146.4487 568.0483       124.9625 184.4674 16.78950 152.6199 17.43883 31.84746       24.20744 
1 1 1 6   1   17 o 556.7098 19.79695 7492.103       526.0702 7726.633       744.5411 7258.285       743.4113 562.3581 27.77881 544.6317 28.65156 17.72644       39.90707 
1 1 1 6   1   18 o 213.1586 15.43188 1098.846       156.1994 1414.447       210.4336 711.5958       233.1000 241.4554 18.36710 168.0861 30.11295 73.36931       35.27237 
1 1 1 6   1   19 o 160.0687 23.83936 635.7850       176.8780 760.2504       275.2424 548.2253       230.8570 172.4459 34.58970 146.1847 33.71919 26.26125       48.30560 
1 1 1 6   1   20 o 133.7128 21.49761 444.5819       132.7695 730.4659       272.5795 355.6578       152.0225 168.4428 34.99261 118.1727 27.43638 50.27005       44.46614 
1 1 1 6   1   21 o 127.5233 19.05910 402.7122       112.6389 512.5209       173.9496 323.4221       147.8136 142.2881 26.54714 112.4180 27.68770 29.87010       38.35831 
1 1 1 6   1   22 o 269.8917 14.40867 1762.939       185.2444 1733.890       264.7522 1790.799       259.2836 265.8246 21.00278 270.4348 20.20007 -4.610168      29.14034 
1 1 1 6   1   23 o 85.83042 24.70512 186.2637       106.8346 327.6937       166.7373 87.76099       139.1509 112.4004 30.33122 72.36095 28.09678 40.03947       41.34504 
1 1 1 6   1   24 o 55.41719 25.17693 -76.88996      145.3379 -66.83462      192.9003 -90.09284      221.0389 66.04467 29.59284 69.45042 31.35000 -3.405746      43.11101 
1 1 1 6   1   25 o 190.8914 17.46216 896.1669       157.6016 1035.299       299.4297 842.8530       185.3537 198.9547 32.60847 183.7562 21.50472 15.19844       39.06105 
1 1 1 6   1   26 o 119.7195 24.26302 368.8456       134.1113 300.5744       295.2129 386.5991       150.5421 112.4214 41.53430 121.9237 26.57799 -9.502243      49.31011 
1 1 1 6   1   27 o 109.1299 28.30576 313.6321       148.9180 466.2145       191.9689 83.05989       235.9837 132.3709 30.89909 84.98135 35.29605 47.38953       46.91018 
1 1 1 6   1   28 o 174.8297 17.05593 755.2337       140.7497 463.9753       217.2223 966.0086       184.7883 130.5259 34.34986 196.8339 19.91007 -66.30800      39.70294 
1 1 1 6   1   29 o 56.48983 25.60979 -67.23898      149.4045 -208.7632      190.6350 158.0866       240.5429 55.46874 26.37188 91.82111 36.54593 -36.35236      45.06751 
1 1 1 6   1   30 o 206.3977 16.32100 1051.938       159.7397 1189.769       252.1112 959.4903       206.4744 215.1979 24.96734 194.2197 22.66175 20.97823       33.71829 
1 1 1 6   1   31 o 148.1388 31.15573 594.9651       213.6480 433.9878       364.2120 679.4188       263.8038 124.7494 46.12548 155.6357 36.14758 -30.88631      58.60211 
1 1 1 6   1   32 o 199.2310 17.34128 989.4094       163.5318 737.4219       258.6592 1157.200       211.0682 162.3249 34.40012 213.6466 20.93254 -51.32175      40.26835 
1 1 1 6   1   33 o 65.37266 28.84206 -10.33076      176.1835 -3.160797      234.9671 -19.53929      266.2832 74.77057 33.13279 77.68457 34.79165 -2.914001      48.04416 
1 1 1 6   1   34 o 72.00401 27.03828 116.6433       126.0968 -352.1293      228.9847 320.6657       151.0651 54.43317 26.60128 107.0476 28.86362 -52.61444      39.25222 
1 1 1 6   1   35 o 82.02335 29.41648 175.3447       146.5401 593.1245       403.0838 111.7188       157.3035 128.5757 48.32918 74.16176 29.54174 54.41396       56.64295 
1 1 1 6   1   36 o 74.12219 27.88255 138.0546       134.2218 103.2928       251.1431 151.9536       158.8040 80.52806 35.00634 77.85070 30.07333 2.677361       46.15029 
1 1 1 6   1   37 f 68.24983 27.79854 96.61429       142.6967 -114.8841      260.1374 187.6455       170.6650 66.34432 31.32421 81.76919 31.28163 -15.42487      44.26903 
1 1 1 6   1   38 o 55.56874 25.73726 -51.96942      162.1633 173.7756       451.8035 -85.35199      173.7402 87.84896 41.41769 55.12354 25.89370 32.72543       48.84577 
1 1 1 6   1   39 o 87.11222 30.41520 257.7094       155.7915 335.6927       283.3403 223.9171       186.5162 90.60417 38.22240 81.57957 32.27361 9.024597       50.02536 
1 1 1 6   2   0  o 169.9228 6.630725 692.8340       53.76340 653.4630       75.53957 733.2506       76.53610 164.6626 9.637711 174.5172 9.205737 -9.854568      13.32783 
1 1 1 6   2   1  o 281.0868 5.549468 1891.666       74.57618 1905.513       128.6292 1884.655       91.52972 281.5156 9.571075 280.4520 6.826456 1.063599       11.75610 
1 1 1 6   2   2  o 391.6478 7.021421 3675.879       131.4707 0.000000       0.000000 3675.879       131.4707 ?        ?        391.6478 7.021421 0.000000       7.021421 
1 1 1 6   2   3  o 524.7297 5.984411 6593.959       150.1293 6633.314       260.0375 6574.283       183.8679 525.3346 10.35361 523.7036 7.343653 1.631042       12.69356 
1 1 1 6   2   4  o 262.6114 11.22762 1662.327       140.6391 1614.162       198.5410 1710.835       199.2484 257.6176 16.20210 265.3643 15.77643 -7.746643      22.61424 
1 1 1 6   2   5  o 143.1914 9.001220 494.1591       61.30896 511.2882       85.68410 476.1895       87.76112 145.1292 12.46992 139.8745 13.28288 5.254715       18.21905 
1 1 1 6   2   6  o 87.99142 9.316198 187.9848       38.59652 222.4690       52.21610 146.4505       57.30566 95.42800 11.68890 76.33598 16.20391 19.09203       19.97991 
1 1 1 6   2   7  o 157.0103 9.408016 594.0966       70.29722 642.6295       98.53632 543.7927       100.3182 162.7878 12.76293 149.3918 14.21692 13.39595       19.10531 
1 1 1 6   2   8  o 86.27322 9.964396 181.1342       40.34497 190.3845       56.61764 171.5915       57.50555 87.77279 13.95917 83.02349 15.04140 4.749298       20.52078 
1 1 1 6   2   9  o 207.6443 10.32604 1038.073       102.1875 965.7217       143.7342 1112.017       145.3085 199.4156 15.19053 214.2544 14.26706 -14.83884      20.83989 
1 1 1 6   2   10 o 427.8396 9.551341 4390.850       195.3681 4444.518       217.1718 4163.116       447.3621 430.2810 10.55706 412.6735 22.76302 17.60754       25.09196 
1 1 1 6   2   11 o 441.7492 7.761721 4673.784       163.9239 4451.503       229.7102 4904.437       233.9959 430.5291 11.16957 452.1060 10.82579 -21.57693      15.55497 
1 1 1 6   2   12 o 594.4168 20.82745 8555.938       590.9681 8449.830       835.3602 8662.248       836.1505 586.7571 29.87714 594.2856 29.52178 -7.528503      42.00214 
1 1 1 6   2   13 o 162.4158 10.38780 634.7717       80.23757 706.3999       112.7006 561.1455       114.2616 170.9497 13.90963 151.9279 15.96941 19.02185       21.17781 
1 1 1 6   2   14 o 433.3004 10.40744 4499.129       215.5965 4454.672       466.6106 4511.196       243.1023 428.5534 22.85678 433.5786 11.73850 -5.025146      25.69484 
1 1 1 6   2   15 o 581.8513 20.49547 8180.808       569.2453 8188.973       804.8470 8172.636       805.2220 578.9695 29.17097 578.3715 29.21522 0.5979614      41.28528 
1 1 1 6   2   16 o 243.5978 10.92529 1425.364       126.9136 1473.225       168.9196 1363.330       192.3132 247.2358 14.35263 237.3919 17.05847 9.843842       22.29325 
1 1 1 6   2   17 o 168.1359 11.76122 681.3884       93.94502 695.7745       132.3133 666.7627       133.4102 169.2345 16.56525 165.5457 17.10225 3.688766       23.80955 
1 1 1 6   2   18 o 129.3277 27.62676 422.8433       165.6271 0.000000       0.000000 422.8433       165.6271 ?        ?        129.3277 27.62676 0.000000       27.62676 
1 1 1 6   2   19 o 318.7901 14.79980 2449.881       224.9481 2667.918       318.3283 2232.401       317.9215 331.5392 20.17871 302.6884 22.12203 28.85089       29.94269 
1 1 1 6   2   20 o 366.5370 14.36483 3237.937       251.2378 3106.943       327.7003 3424.721       391.3105 357.8780 19.22340 374.9784 21.92327 -17.10037      29.15766 
1 1 1 6   2   21 o 99.94118 28.00394 253.0280       139.1318 -116.8271      269.1324 387.9234       162.5357 76.77612 34.63069 123.1930 28.20601 -46.41686      44.66390 
1 1 1 6   2   22 o 504.0625 18.63644 6175.059       448.3399 6668.258       638.1027 5694.199       630.0704 519.9991 25.74734 479.3214 27.61186 40.67776       37.75368 
1 1 1 6   2   23 o 370.9778 13.46591 3324.469       238.4354 3581.461       402.9749 3186.031       295.7643 381.7223 22.17666 361.9918 17.13854 19.73053       28.02737 
1 1 1 6   2   24 o 274.5537 14.17932 1827.910       185.4886 2243.623       274.7630 1479.809       251.4284 302.5692 19.09172 244.5485 21.73114 58.02072       28.92640 
1 1 1 6   2   25 o 91.13914 24.80852 213.5555       110.9717 170.7237       180.8213 239.4347       140.5537 88.60264 32.54546 96.49297 28.49883 -7.890335      43.25956 
1 1 1 6   2   26 o 134.3930 19.43062 451.8107       121.2256 592.4586       195.5230 363.9825       154.5070 151.1235 28.09572 117.9383 27.85042 33.18518       39.56028 
1 1 1 6   2   27 o 139.7306 24.22248 499.8352       155.9534 639.0247       204.3930 305.8917       241.2684 156.7245 28.32058 109.6998 37.87551 47.02477       47.29281 
1 1 1 6   2   28 o 97.22282 25.94454 247.0359       122.8317 272.6565       200.7245 231.6982       155.3056 103.0636 34.56410 94.98225 30.31874 8.081398       45.97720 
1 1 1 6   2   29 o 39.33960 19.13817 -192.7414      114.7884 -230.3012      192.3016 -171.9503      143.0738 54.68532 26.13458 47.54981 22.67422 7.135506       34.59966 
1 1 1 6   2   30 o 73.63432 29.58914 84.74283       159.2245 81.92595       204.3783 89.09261       253.9710 79.64552 32.94263 86.50625 36.32235 -6.860725      49.03600 
1 1 1 6   2   31 o 121.5006 27.56791 394.0521       156.4500 1053.777       365.9312 246.4876       173.0648 191.0034 41.27900 97.02531 32.08304 93.97813       52.28075 
1 1 1 6   2   32 o 101.5832 31.95342 279.0033       173.0595 346.2410       223.6611 178.6908       273.1880 111.6962 36.44846 95.51618 38.62457 16.17998       53.10695 
1 1 1 6   2   33 o 119.9746 26.24760 388.4354       146.3560 95.66163       248.0489 544.7934       181.2722 84.34299 35.68099 141.8139 27.73052 -57.47090      45.18976 
1 1 1 6   2   34 o 66.04815 26.46509 74.46468       126.9965 -212.1092      235.7007 191.6923       150.7500 61.70068 29.33164 85.63706 29.91775 -23.93638      41.89769 
1 1 1 6   2   35 o 106.3319 33.16323 330.4568       186.8168 86.25368       262.3203 581.7827       266.1184 83.15910 35.96471 136.2890 38.91644 -53.12994      52.99009 
1 1 1 6   2   36 o 71.50610 28.65990 106.6110       148.9765 -42.90026      431.0945 126.8877       158.7575 86.86735 40.79959 75.02132 29.74472 11.84603       50.49114 
1 1 1 6   2   37 o 119.6127 32.82652 453.7844       193.3773 433.9105       270.1644 474.6638       276.9141 109.9993 39.87702 114.1172 40.49085 -4.117920      56.83032 
1 1 1 6   2   38 o 59.12429 25.87159 27.59975       139.1224 200.0368       264.7635 -38.17126      163.5159 84.73349 36.38346 57.15101 26.24405 27.58248       44.86097 
1 1 1 6   2   39 o 66.30810 27.74531 101.0778       147.4061 -79.96648      269.0812 178.7047       176.1964 65.03809 31.03618 76.61514 31.00561 -11.57705      43.87018 
1 1 1 6   3   0  o 92.88192 6.875720 207.8462       30.31568 212.2325       42.50802 203.3059       43.24723 93.51427 9.646155 91.44377 10.05815 2.070503       13.93609 
1 1 1 6   3   1  o 181.7743 6.707242 792.7069       58.18882 787.5195       82.05123 797.9555       82.53374 180.8465 9.523578 182.0451 9.516006 -1.198593      13.46302 
1 1 1 6   3   2  o 52.09947 8.303838 66.71117       19.98960 0.000000       0.000000 66.71117       19.98960 ?        ?        52.09947 8.303838 0.000000       8.303838 
1 1 1 6   3   3  o 257.1149 8.174478 1587.166       100.3560 0.000000       0.000000 1587.166       100.3560 ?        ?        257.1149 8.174478 0.000000       8.174478 
1 1 1 6   3   4  o 266.3885 8.537424 1704.343       108.5899 1769.594       206.8393 1679.516       127.5871 269.8446 16.10614 264.1871 10.12024 5.657532       19.02175 
1 1 1 6   3   5  o 276.6931 11.75719 1846.499       155.1741 1965.064       219.1447 1727.273       219.7553 284.3422 16.18748 266.1905 17.36261 18.15170       23.73805 
1 1 1 6   3   6  o 69.89289 9.676387 119.5577       31.46729 117.5045       40.24333 122.7881       50.47916 68.74651 12.71246 69.88075 15.51393 -1.134247      20.05713 
1 1 1 6   3   7  o 320.0493 9.018997 2460.966       137.8638 2368.197       270.3107 2493.581       160.2764 311.5377 18.22828 321.8924 10.42855 -10.35474      21.00060 
1 1 1 6   3   8  o 488.2659 9.928761 5727.567       231.7714 5789.642       578.7646 5715.711       252.9386 483.8301 25.10666 487.5229 10.85205 -3.692841      27.35162 
1 1 1 6   3   9  o 42.64759 12.70332 44.32721       27.83172 26.09199       36.23375 70.56836       43.46596 38.44182 14.48128 53.61844 15.85138 -15.17662      21.47030 
1 1 1 6   3   10 o 680.9225 23.73213 11350.46       771.3976 11449.94       1090.190 11250.72       1091.653 675.7621 33.85206 669.5062 34.21880 6.255981       48.13407 
1 1 1 6   3   11 o 84.42339 11.61815 174.3354       45.65084 153.8103       63.20498 196.7200       66.00615 78.30634 17.34067 88.98611 16.10793 -10.67977      23.66779 
1 1 1 6   3   12 o 142.7738 10.31761 491.2898       69.95143 564.5112       98.69429 417.3759       99.15987 152.6640 13.66661 130.6671 16.22125 21.99686       21.21097 
1 1 1 6   3   13 o 631.6351 22.01866 9662.881       663.8970 9817.873       938.3456 9507.528       939.4395 632.6074 31.12113 622.2151 31.68488 10.39221       44.41234 
1 1 1 6   3   14 o 98.39256 13.66358 236.8041       62.54186 226.5655       99.54510 243.4814       80.38903 94.94036 22.31114 99.12133 17.60884 -4.180969      28.42285 
1 1 1 6   3   15 o 285.8531 9.118242 1958.975       124.4533 2187.230       172.7822 1712.867       179.4121 301.7546 12.00062 266.7076 14.12077 35.04703       18.53135 
1 1 1 6   3   16 o 220.9353 11.01433 1173.063       115.9738 1047.656       153.8718 1337.997       176.4627 208.1804 15.57290 235.3750 15.77241 -27.19466      22.16493 
1 1 1 6   3   17 o 61.87529 27.05223 -29.81351      151.8245 -302.5267      204.7052 303.6111       226.3469 54.93785 26.44040 112.4458 36.66489 -57.50798      45.20408 
1 1 1 6   3   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   3   19 o 368.9531 15.34857 3281.328       270.1457 3577.943       382.5568 2986.299       381.5326 383.9547 20.91949 350.1328 22.91841 33.82199       31.03029 
1 1 1 6   3   20 o 645.4113 22.75180 10131.57       700.9401 10756.16       992.0077 9508.817       990.5519 659.8666 31.53620 618.9902 33.59821 40.87640       46.08006 
1 1 1 6   3   21 o 278.3331 14.80019 1871.906       196.2350 1960.210       292.4488 1799.584       264.6634 283.1112 21.77364 271.5394 20.53927 11.57175       29.93247 
1 1 1 6   3   22 o 568.0648 20.67146 7865.329       560.4704 8179.468       792.7480 7551.384       792.5017 574.0343 28.97985 550.6128 30.22137 23.42151       41.87079 
1 1 1 6   3   23 o 280.1236 14.66420 1900.739       195.7047 2116.731       277.9468 1688.371       275.6046 294.0756 19.88640 261.7055 22.23789 32.37009       29.83274 
1 1 1 6   3   24 o 146.8729 18.79262 534.0721       128.9393 449.4200       185.3853 613.3947       179.4547 131.3115 30.16545 155.6956 24.95085 -24.38406      39.14715 
1 1 1 6   3   25 o 57.46302 25.40883 -33.66314      137.4649 215.6224       290.0487 -105.8773      156.1110 104.2513 40.54089 55.45722 25.53070 48.79412       47.91013 
1 1 1 6   3   26 o 291.4984 15.41301 2071.292       214.0355 2284.644       333.4514 1921.796       279.1261 302.5547 23.23033 278.3873 21.12995 24.16742       31.40259 
1 1 1 6   3   27 o 145.1697 29.29057 552.7451       196.2693 761.4142       315.6241 421.1792       250.6183 165.5977 40.26217 124.7174 38.32975 40.88027       55.58967 
1 1 1 6   3   28 o 42.03623 20.35190 -196.0581      125.7640 -169.9313      317.7609 -200.9109      136.9464 78.67544 36.29339 44.49598 21.46790 34.17946       42.16730 
1 1 1 6   3   29 o 268.2582 16.33280 1768.180       208.4775 2395.212       363.1459 1459.934       254.6153 307.0815 24.95019 240.7875 22.37378 66.29399       33.51265 
1 1 1 6   3   30 o 109.4248 28.28806 320.3473       149.0648 408.9852       349.6959 300.6649       164.7860 122.6827 45.22607 105.7238 30.75801 16.95892       54.69417 
1 1 1 6   3   31 o 102.6135 36.02020 273.7564       218.6850 620.7216       363.0791 76.22904       273.9504 143.2810 46.41628 87.43257 37.26214 55.84846       59.52259 
1 1 1 6   3   32 o 75.52824 28.01579 125.5276       134.5563 -90.88935      222.8354 249.7205       168.8056 67.89943 30.97444 97.04113 31.66475 -29.14170      44.29528 
1 1 1 6   3   33 o 112.6428 26.95681 344.3620       143.2307 393.2891       231.8022 314.1445       182.1680 116.5245 37.02298 106.0030 32.69680 10.52151       49.39415 
1 1 1 6   3   34 o 106.1345 32.82315 321.5729       183.4370 221.9682       236.7142 471.3022       290.2270 94.56332 36.66573 123.2092 41.56327 -28.64590      55.42456 
1 1 1 6   3   35 o 125.6895 25.71988 430.9510       149.3402 341.7766       244.7125 483.8707       188.5145 107.2512 38.06291 130.1117 30.78840 -22.86046      48.95621 
1 1 1 6   3   36 o 108.3668 28.42101 339.1883       149.0380 227.7708       249.6096 400.9163       185.7915 92.35397 37.06954 115.2383 32.38602 -22.88429      49.22403 
1 1 1 6   3   37 o 97.47656 37.01543 309.3622       237.8431 224.8630       418.9025 349.5613       288.9312 94.87748 42.96083 101.1049 40.11420 -6.227448      58.77740 
1 1 1 6   3   38 o 72.84682 28.31687 138.7889       141.4611 -217.2762      256.8558 293.8092       169.4802 60.43076 29.21593 95.50082 31.75488 -35.07005      43.15023 
1 1 1 6   3   39 o 88.49758 29.84703 259.5036       149.6652 27.14051       268.6538 364.0709       180.2217 70.64369 32.85889 101.6449 32.68229 -31.00117      46.34478 
1 1 1 6   4   0  o 145.9041 6.742969 511.1546       46.90843 471.4120       65.91479 551.9359       66.77057 139.7273 9.931926 151.3353 9.273134 -11.60800      13.58802 
1 1 1 6   4   1  o 237.3564 6.762641 1350.950       76.66245 1305.757       108.0337 1396.791       108.8045 232.9586 9.721377 240.9962 9.461786 -8.037628      13.56579 
1 1 1 6   4   2  o 213.0867 7.941384 1090.359       80.76077 0.000000       0.000000 1090.359       80.76077 ?        ?        213.0867 7.941384 0.000000       7.941384 
1 1 1 6   4   3  o 606.2672 9.997046 8830.796       289.7638 0.000000       0.000000 8830.796       289.7638 ?        ?        606.2672 9.997046 0.000000       9.997046 
1 1 1 6   4   4  o 322.9291 12.86513 2517.846       198.2255 2531.046       280.0493 2504.593       280.6180 322.1648 18.25699 320.4236 18.39550 1.741180       25.91741 
1 1 1 6   4   5  o 65.84332 9.034298 105.9968       27.68996 109.5593       38.42443 102.1481       39.93847 66.35564 12.57224 63.88540 13.49957 2.470234       18.44721 
1 1 1 6   4   6  o 106.1307 8.810884 272.2051       44.30352 271.8282       61.61134 272.6087       63.75280 105.4876 12.45660 105.5596 12.90034 -0.7197571E-01 17.93281 
1 1 1 6   4   7  o 152.4081 9.202162 559.7140       66.73880 537.7891       93.16364 582.8254       95.65135 148.7411 13.23929 154.9277 13.03456 -6.186554      18.57898 
1 1 1 6   4   8  o 85.77683 9.867772 179.0455       39.73030 195.1357       52.64402 157.7542       60.55775 89.11181 12.71712 79.26043 16.51751 9.851379       20.84594 
1 1 1 6   4   9  f 220.6738 8.750540 1169.997       92.13657 1186.836       113.7747 1137.915       157.0464 221.9738 10.75299 216.4989 15.27071 5.474854       18.67676 
1 1 1 6   4   10 f 230.5346 8.910040 1276.402       98.01795 1348.656       121.4872 1141.653       165.9068 236.7297 10.76235 216.8197 16.12039 19.90996       19.38285 
1 1 1 6   4   11 o 364.3888 14.23392 3200.834       247.4922 3410.989       349.1931 2988.708       350.8263 374.8064 19.55487 350.3383 21.04275 24.46814       28.72613 
1 1 1 6   4   12 o 723.0535 8.406984 12522.83       290.6157 12378.63       405.6717 12674.85       416.5285 718.1673 11.81519 726.6660 11.98951 -8.498718      16.83292 
1 1 1 6   4   13 o 370.0579 10.01112 3284.095       176.9545 3294.409       203.5708 3252.210       357.9416 370.4480 11.50819 366.3782 20.51694 4.069763       23.52410 
1 1 1 6   4   14 o 434.0380 16.20617 4536.784       335.7013 4825.933       474.1093 4246.059       475.4000 446.2287 22.29412 418.0624 23.88475 28.16629       32.67276 
1 1 1 6   4   15 o 394.1284 9.995407 3724.127       188.1898 3934.779       217.2995 3092.094       376.3970 404.9750 11.23419 356.9875 22.16318 47.98746       24.84781 
1 1 1 6   4   16 o 215.6864 10.84520 1117.939       111.4739 1052.077       147.7846 1204.878       169.7923 208.7180 14.90837 223.2685 16.01312 -14.55045      21.87875 
1 1 1 6   4   17 o 499.0018 12.02172 5973.619       286.7987 6046.132       325.5033 5721.940       606.4131 501.5918 13.58616 484.4416 26.28137 17.15018       29.58537 
1 1 1 6   4   18 f 74.37626 32.45996 -34.93330      217.7484 -34.93330      217.7484 0.000000       0.000000 74.37626 32.45996 ?        ?        0.000000       32.45996 
1 1 1 6   4   19 o 297.5269 14.39194 2133.366       204.1097 2400.595       283.8371 1847.192       293.7263 314.7495 18.95012 275.1316 22.52735 39.61783       29.43788 
1 1 1 6   4   20 o 598.4761 13.13186 8608.118       375.7348 8241.818       834.6400 8701.220       420.7840 578.2139 30.29844 601.3130 14.63694 -23.09912      33.64871 
1 1 1 6   4   21 o 122.2206 30.53382 383.2076       177.8877 358.6237       245.4167 410.4220       258.2134 119.7908 38.09867 126.9522 38.88574 -7.161392      54.43904 
1 1 1 6   4   22 o 548.5148 19.96351 7323.393       522.6472 7881.412       740.1364 6768.384       738.1372 564.5640 27.50421 521.6312 29.72119 42.93280       40.49482 
1 1 1 6   4   23 o 284.9667 14.33691 1965.587       194.6976 2223.716       278.7356 1719.650       272.0732 301.6232 19.43285 264.3381 21.72011 37.28503       29.14445 
1 1 1 6   4   24 o 187.3681 17.84591 861.6659       157.9327 1433.722       281.2971 598.3353       190.8519 239.5535 24.92554 153.0479 27.07351 86.50563       36.80024 
1 1 1 6   4   25 o 234.1819 15.05000 1335.515       167.6073 1245.063       236.2818 1427.126       237.7905 223.5857 22.40595 240.1056 20.92373 -16.51990      30.65663 
1 1 1 6   4   26 o 123.7502 22.65639 390.1827       129.1051 394.1250       181.4158 386.1374       183.7713 121.9692 31.03879 120.6401 31.52041 1.329033       44.23735 
1 1 1 6   4   27 o 75.41282 26.97098 126.9083       123.0974 192.5604       176.5083 64.74047       171.7608 90.72614 32.31314 74.04211 30.36797 16.68404       44.34357 
1 1 1 6   4   28 o 55.41412 25.34443 -85.87534      150.4531 -95.88340      176.0959 -58.82094      289.5298 60.00064 27.43350 81.17446 36.32219 -21.17382      45.51811 
1 1 1 6   4   29 o 45.38023 22.10384 -258.7112      154.4130 -431.7583      186.6780 116.2017       274.7744 45.01477 22.37014 91.78616 38.10144 -46.77138      44.18306 
1 1 1 6   4   30 o 59.87788 25.28137 21.54979       124.1266 -171.7001      197.6283 147.4499       159.5154 58.77548 27.61147 81.83320 30.47517 -23.05772      41.12335 
1 1 1 6   4   31 o 114.6037 25.42845 347.0952       135.6810 310.4122       213.4885 371.9520       175.7376 107.2040 35.63986 116.7302 30.97957 -9.526237      47.22217 
1 1 1 6   4   32 o 137.6342 22.54566 488.9411       143.2216 923.1978       228.7990 209.1477       183.6536 188.0135 26.16175 91.84547 32.93246 96.16799       42.05929 
1 1 1 6   4   33 o 78.33021 31.20749 115.1501       175.5724 212.0223       227.6372 -27.09472      275.8429 94.15585 36.10068 78.81826 35.34647 15.33759       50.52358 
1 1 1 6   4   34 o 157.2602 20.77672 638.4966       152.3905 865.7585       253.6991 510.2123       190.6086 176.0434 31.28982 134.8875 30.29921 41.15590       43.55565 
1 1 1 6   4   35 o 269.8340 16.75182 1829.057       215.0403 1930.334       330.4126 1754.636       283.2352 268.3042 26.08748 258.7002 23.14459 9.603943       34.87447 
1 1 1 6   4   36 o 162.9384 21.78458 704.1547       165.4516 838.1010       264.4460 617.9965       212.0899 166.7660 34.31336 145.0224 31.49376 21.74359       46.57536 
1 1 1 6   4   37 f 86.67758 33.39190 217.3011       195.4012 151.3661       253.9668 312.9602       305.9015 83.11588 35.66046 98.07903 40.40860 -14.96314      53.89363 
1 1 1 6   4   38 o 83.41164 30.08408 209.2718       153.5164 321.2626       265.8254 153.2304       188.0441 96.08065 38.35983 77.56314 31.78931 18.51751       49.82004 
1 1 1 6   4   39 o 102.8414 32.80553 372.4096       181.8512 193.1050       446.6548 408.0375       199.1001 85.25222 40.48457 105.7829 34.38000 -20.53066      53.11295 
1 1 1 6   5   0  o 285.8282 11.80186 1970.207       160.9270 1915.364       227.4577 2025.173       227.7128 280.4828 17.04279 288.5782 16.57473 -8.095428      23.77348 
1 1 1 6   5   1  o 169.6353 9.196719 692.9222       74.30710 686.5695       104.9270 699.3137       105.2459 168.2150 13.15158 169.7944 13.06544 -1.579407      18.53833 
1 1 1 6   5   2  o 199.0427 6.866574 950.5117       65.24449 902.9666       127.9393 967.2222       75.84843 192.8799 13.96888 200.6665 7.921683 -7.786652      16.05873 
1 1 1 6   5   3  o 51.16771 8.989119 64.68050       21.18777 0.000000       0.000000 64.68050       21.18777 ?        ?        51.16771 8.989119 0.000000       8.989119 
1 1 1 6   5   4  o 265.9386 7.362020 1696.749       93.51230 1732.958       203.9133 1687.107       105.2298 266.9688 16.05044 265.0490 8.314604 1.919830       18.07621 
1 1 1 6   5   5  o 267.2093 11.44206 1721.628       145.8336 1690.385       205.8000 1753.140       206.6826 263.5715 16.41342 268.5043 16.17570 -4.932800      23.04460 
1 1 1 6   5   6  o 129.1187 8.195420 401.5052       50.32940 450.7552       69.47321 347.1107       73.01159 136.4987 10.73211 119.2918 13.01259 17.20687       16.86730 
1 1 1 6   5   7  o 232.1518 10.67712 1298.463       118.1871 1251.158       166.4520 1346.560       167.8403 226.9052 15.43582 235.5428 14.98217 -8.637650      21.51116 
1 1 1 6   5   8  o 219.2048 8.655685 1154.500       90.53267 1135.150       110.8341 1193.296       156.9355 217.0627 10.71332 221.7757 14.88751 -4.712997      18.34157 
1 1 1 6   5   9  o 147.2209 8.901266 521.7700       62.35855 406.5523       86.29958 647.6567       90.20675 129.0866 14.21885 163.7192 11.59985 -34.63264      18.35027 
1 1 1 6   5   10 o 401.2526 15.07010 3886.905       288.5825 3813.718       406.8493 3961.010       409.3972 395.4089 21.60388 403.0979 21.31930 -7.688995      30.35194 
1 1 1 6   5   11 o 329.2277 13.27668 2609.840       208.5463 2775.732       294.1616 2442.205       295.7023 338.4811 18.24532 317.1007 19.60095 21.38040       26.77852 
1 1 1 6   5   12 o 53.24169 14.61740 70.28215       38.33528 120.3188       50.65083 3.184100       58.65395 69.35509 15.64887 41.10748 17.36859 28.24760       23.37852 
1 1 1 6   5   13 o 648.3391 22.60381 10185.03       699.5637 10508.56       988.4603 9860.360       990.2070 654.3579 31.69047 633.2125 32.82108 21.14539       45.62357 
1 1 1 6   5   14 o 231.2162 10.58115 1283.902       116.6558 1229.195       169.7839 1332.823       160.5552 225.5663 15.84475 235.1404 14.35032 -9.574158      21.37728 
1 1 1 6   5   15 o 492.0294 8.444314 5796.611       198.6387 5923.670       273.7796 5655.381       288.6445 497.0412 11.52127 485.3733 12.44909 11.66794       16.96230 
1 1 1 6   5   16 o 744.4319 12.59084 13297.53       448.1135 12578.24       1228.440 13407.94       481.2770 713.5126 36.12930 747.3120 13.47053 -33.79932      38.55881 
1 1 1 6   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   5   18 o 582.1475 20.92265 8205.441       581.3680 8562.427       819.1994 7843.215       825.1905 591.2294 29.07093 565.0272 30.66245 26.20221       42.25286 
1 1 1 6   5   19 o 129.4948 21.31181 416.2994       127.3555 423.7349       146.3369 393.0853       258.5686 130.0078 24.44075 125.4233 38.99947 4.584496       46.02509 
1 1 1 6   5   20 f 193.7258 14.73439 908.4068       135.4435 1043.395       185.1657 753.0664       198.6349 206.9156 18.92739 174.2324 24.52384 32.68321       30.97846 
1 1 1 6   5   21 o 168.1772 15.99085 688.4609       127.0269 563.1608       172.5142 836.8477       187.7358 149.9063 24.94757 184.2976 21.72372 -34.39139      33.08022 
1 1 1 6   5   22 o 59.20366 25.21923 4.204211       125.3802 66.20035       142.4180 -209.3956      264.3523 70.31083 28.07554 70.28716 32.65962 0.2367401E-01  43.06840 
1 1 1 6   5   23 o 236.4325 15.75715 1358.538       177.0955 1770.831       272.7632 1058.083       232.8479 268.3257 21.44079 206.1604 24.07711 62.16531       32.23996 
1 1 1 6   5   24 o 48.39128 21.64950 -40.37003      102.8140 89.50974       145.3293 -170.5064      145.4727 73.47194 28.66119 48.67722 23.11253 24.79472       36.81919 
1 1 1 6   5   25 o 55.98207 23.65496 12.18213       108.8081 155.9894       155.0690 -127.2898      152.7137 83.87810 30.23799 53.12590 24.73207 30.75220       39.06419 
1 1 1 6   5   26 o 205.8693 17.39368 1042.233       169.5948 1118.867       285.9698 1000.657       210.6337 208.1696 29.56433 199.8646 22.43026 8.304962       37.11020 
1 1 1 6   5   27 o 119.6929 22.80264 366.7345       125.7222 523.2173       180.7588 220.1002       174.9782 141.7211 27.67144 94.52049 32.26811 47.20064       42.50811 
1 1 1 6   5   28 o 190.8157 17.29758 899.0524       156.0878 1099.525       217.2744 685.2534       224.3800 209.2022 22.05522 161.1045 30.24223 48.09767       37.43027 
1 1 1 6   5   29 o 117.2324 25.40638 359.7384       138.2774 449.4367       195.6792 270.2698       195.4285 128.8365 31.93100 102.0373 34.10332 26.79916       46.71857 
1 1 1 6   5   30 o 69.64225 27.47984 82.40069       134.9043 -57.41233      191.5226 220.0761       190.0529 65.31209 29.35789 94.29039 33.53553 -28.97830      44.57037 
1 1 1 6   5   31 o 114.1657 27.11641 348.3487       145.7947 479.4543       208.5126 222.9384       203.9333 131.5733 33.16379 95.20682 34.62692 36.36644       47.94643 
1 1 1 6   5   32 o 214.8413 20.08979 1162.734       203.9557 1246.970       259.5139 1026.651       329.8463 219.4585 25.19049 190.3460 37.58029 29.11249       45.24200 
1 1 1 6   5   33 o 119.2365 26.52773 383.5174       147.3215 218.9028       226.0150 505.1252       194.2602 94.76981 36.06075 134.9239 30.79597 -40.15407      47.42119 
1 1 1 6   5   34 o 109.9559 27.90603 334.9527       146.9217 1040.431       240.5663 -84.72386      185.5455 197.3479 26.13945 60.84436 27.94594 136.5036       38.26548 
1 1 1 6   5   35 o 37.53326 18.71970 -326.4334      135.6713 -259.2209      226.8904 -363.8409      169.2662 57.65724 27.77127 43.10081 21.39902 14.55643       35.05939 
1 1 1 6   5   36 o 55.82900 25.13906 -31.25479      141.1256 -285.9449      240.4322 102.6158       174.3128 57.78366 28.01490 74.15452 30.52253 -16.37086      41.43017 
1 1 1 6   5   37 o 134.4623 32.08004 560.3185       203.3363 714.5220       265.1450 340.1365       316.8307 145.6905 37.76001 100.2091 41.18814 45.48138       55.87737 
1 1 1 6   5   38 o 54.19013 24.91877 -46.86412      148.1224 -57.29573      248.5238 -41.11700      184.4663 67.04345 31.32353 60.24539 27.74141 6.798058       41.84196 
1 1 1 6   5   39 o 77.65015 29.97524 186.8787       157.6908 523.7385       262.7356 -2.790414      197.1482 111.9019 39.46512 62.55562 28.75926 49.34629       48.83227 
1 1 1 6   6   0  o 279.7059 8.264245 1877.882       110.3918 1921.777       128.4482 1753.845       215.9211 282.7711 9.514890 268.5345 16.90425 14.23657       19.39811 
1 1 1 6   6   1  o 374.9896 8.468174 3373.271       151.8159 3536.168       170.3795 2745.550       334.4597 383.8002 9.285470 334.6616 21.01003 49.13858       22.97044 
1 1 1 6   6   2  o 289.4027 6.240376 2005.986       86.34193 1689.771       220.3976 2063.315       93.84285 263.2803 17.61103 293.4666 6.688583 -30.18628      18.83840 
1 1 1 6   6   3  o 306.3118 12.28750 2263.445       179.5781 0.000000       0.000000 2263.445       179.5781 ?        ?        306.3118 12.28750 0.000000       12.28750 
1 1 1 6   6   4  o 260.3020 7.057331 1624.935       87.74562 0.000000       0.000000 1624.935       87.74562 ?        ?        260.3020 7.057331 0.000000       7.057331 
1 1 1 6   6   5  o 252.7921 8.395128 1534.635       101.3203 1595.850       120.9207 1390.370       185.6317 257.5716 9.837695 239.0466 16.34109 18.52504       19.07384 
1 1 1 6   6   6  o 526.7917 9.624962 6663.344       242.4077 6781.692       262.3188 5971.352       634.3064 531.2704 10.32774 490.4835 27.15593 40.78693       29.05352 
1 1 1 6   6   7  o 218.4044 8.456431 1145.666       88.13239 1211.018       108.8672 1021.396       150.1240 224.3231 10.17765 205.0386 15.42777 19.28448       18.48244 
1 1 1 6   6   8  o 273.9658 11.79632 1808.074       154.1461 1887.624       217.2588 1727.436       218.7398 278.9646 16.36179 266.6047 17.25401 12.35986       23.77833 
1 1 1 6   6   9  o 89.00714 10.89138 193.0186       45.38191 173.1855       55.50500 233.0137       78.82080 83.63366 14.40125 96.69892 17.70159 -13.06526      22.81978 
1 1 1 6   6   10 o 642.1349 22.41216 10030.65       686.9924 10197.66       970.8874 9863.178       972.2218 641.9210 31.73418 630.8674 32.34229 11.05353       45.31096 
1 1 1 6   6   11 o 518.5641 18.48239 6498.580       457.4818 6411.511       645.7462 6586.316       648.2148 512.1730 26.46134 519.2379 26.19688 -7.064880      37.23545 
1 1 1 6   6   12 o 536.0466 10.84099 6889.145       277.8303 7331.713       707.1967 6808.372       302.1216 548.1542 27.06915 532.7400 11.86201 15.41425       29.55412 
1 1 1 6   6   13 o 146.8828 10.49590 519.6661       73.21963 591.8056       100.4599 437.9199       106.9400 156.4299 13.56675 133.8322 17.10403 22.59773       21.83128 
1 1 1 6   6   14 o 136.2307 11.70539 448.2733       75.49923 385.0067       92.50090 574.5311       130.6736 125.5900 15.75126 153.4082 18.16917 -27.81819      24.04622 
1 1 1 6   6   15 o 352.3883 14.06459 2986.780       236.4741 3292.241       337.5056 2692.222       331.4270 369.0430 19.19513 333.2640 20.90666 35.77896       28.38206 
1 1 1 6   6   16 o 61.90655 22.78830 73.73714       88.73050 52.94762       112.5642 107.8538       144.1987 63.19249 25.04899 76.86882 28.90356 -13.67633      38.24745 
1 1 1 6   6   17 o 343.9532 12.82522 2843.754       210.5286 2919.000       264.0664 2712.498       348.7648 347.9639 15.91557 334.1130 21.95554 13.85083       27.11736 
1 1 1 6   6   18 o 519.9026 10.28308 6479.957       255.5957 6267.828       339.3493 6758.074       388.5622 510.5262 13.91637 529.7889 15.35705 -19.26266      20.72449 
1 1 1 6   6   19 o 196.6646 16.02090 937.5717       149.3296 945.9586       219.7692 930.3783       203.5322 195.8950 23.96420 194.6530 22.27121 1.241974       32.71528 
1 1 1 6   6   20 o 448.6333 12.62526 4840.426       270.5255 4700.180       313.4048 5250.345       535.8081 441.5663 14.86693 463.5668 24.26067 -22.00052      28.45357 
1 1 1 6   6   21 o 289.2415 14.05090 2019.764       193.7188 1801.862       267.4086 2260.409       281.0173 271.5447 20.75532 304.7088 19.39094 -33.16412      28.40408 
1 1 1 6   6   22 o 175.9148 17.66877 757.2961       146.5894 689.9445       173.4999 925.3157       274.0345 166.6554 22.33766 190.4900 31.16700 -23.83455      38.34518 
1 1 1 6   6   23 o 205.9563 16.70315 1034.970       163.0577 1254.717       255.2470 883.4632       211.9412 224.5827 24.15169 188.0548 24.12870 36.52791       34.13939 
1 1 1 6   6   24 o 337.1533 15.20639 2760.015       244.4795 2945.274       341.5239 2565.303       350.1292 346.0378 20.73894 321.8652 22.90301 24.17255       30.89744 
1 1 1 6   6   25 o 382.0301 13.89769 3538.851       253.4102 3704.782       322.8083 3272.386       409.0734 389.3522 17.38563 362.4581 23.73731 26.89407       29.42312 
1 1 1 6   6   26 o 98.47870 28.77093 251.8550       143.9139 112.2682       167.3000 649.0761       282.2214 79.10858 30.78233 153.7596 38.48586 -74.65103      49.28197 
1 1 1 6   6   27 o 204.8059 18.12699 1035.939       175.6602 1079.409       218.7044 956.9225       294.8662 207.3778 22.41484 189.6077 33.76632 17.77014       40.52887 
1 1 1 6   6   28 o 178.5259 25.40804 817.1608       210.7460 616.9699       302.8531 1005.112       293.4489 147.5123 41.31016 194.3383 32.74678 -46.82600      52.71510 
1 1 1 6   6   29 o 39.24554 19.52979 -347.1442      144.2484 -337.3995      167.5174 -375.0941      283.7053 44.65279 22.00739 63.87049 30.83621 -19.21769      37.88399 
1 1 1 6   6   30 f 51.82740 24.43615 -152.0041      157.3085 -234.5371      182.2001 89.66939       311.7807 52.25748 25.09725 92.72413 39.64107 -40.46664      46.91787 
1 1 1 6   6   31 o 178.6622 23.31325 819.5988       194.3880 698.5039       233.2564 1094.885       351.6924 160.2921 31.56161 196.1418 38.87893 -35.84972      50.07700 
1 1 1 6   6   32 o 75.36972 28.81055 116.9283       144.6911 280.5823       205.1926 -44.92464      204.0604 102.3882 34.94343 67.95491 30.44371 34.43330       46.34504 
1 1 1 6   6   33 o 172.4640 20.92276 762.3367       168.9904 897.5619       240.6524 630.7878       237.3587 182.4279 28.52616 148.7425 34.10683 33.68547       44.46366 
1 1 1 6   6   34 o 65.38134 27.16095 53.91783       139.7801 77.65157       217.8418 37.30686       182.2450 78.44899 33.32327 70.12711 30.14981 8.321877       44.93830 
1 1 1 6   6   35 o 92.83880 29.80251 241.3483       149.9033 292.1303       228.7518 203.1279       198.4528 100.7902 36.67112 88.97372 33.80577 11.81646       49.87586 
1 1 1 6   6   36 o 112.1845 28.76801 365.0388       155.0175 358.6849       244.1854 369.3283       200.6315 106.2403 37.98783 109.2595 34.40982 -3.019188      51.25536 
1 1 1 6   6   37 o 78.82458 32.03769 153.8133       189.0601 238.3480       236.9659 5.763016       313.5980 89.66332 36.07369 77.69122 35.91583 11.97211       50.90440 
1 1 1 6   6   38 o 129.0985 26.92566 494.3007       160.7993 435.6737       256.6913 532.1655       206.2912 107.7642 38.89687 126.9325 33.50778 -19.16830      51.33944 
1 1 1 6   6   39 f 56.50847 25.60514 -1.433002      149.1197 -358.0577      251.8622 191.0561       185.0378 52.93250 26.24966 78.26087 31.73676 -25.32837      41.18576 
1 1 1 6   7   0  o 140.1940 8.761879 473.0302       58.43299 483.5314       82.43345 462.4247       82.84151 141.2860 12.32714 138.0890 12.68996 3.197037       17.69162 
1 1 1 6   7   1  o 163.0452 9.051858 639.5407       70.28231 603.5954       99.05342 675.9850       99.73853 157.7946 13.25247 167.1602 12.57234 -9.365662      18.26723 
1 1 1 6   7   2  o 451.9945 8.582929 4898.857       185.4714 4954.461       218.6118 4756.023       350.3775 454.2878 10.06547 443.1877 16.56553 11.10016       19.38377 
1 1 1 6   7   3  o 160.2893 9.193604 618.3935       70.15732 0.000000       0.000000 618.3935       70.15732 ?        ?        160.2893 9.193604 0.000000       9.193604 
1 1 1 6   7   4  o 117.4717 8.725988 332.7499       48.65679 0.000000       0.000000 332.7499       48.65679 ?        ?        117.4717 8.725988 0.000000       8.725988 
1 1 1 6   7   5  o 305.5152 6.505031 2235.190       95.01463 2299.380       147.9056 2190.087       123.9803 309.3358 10.01425 302.0967 8.592897 7.239075       13.19557 
1 1 1 6   7   6  o 168.7839 9.541369 685.6132       76.67926 685.8744       107.4624 685.3423       109.4465 168.2551 13.47166 168.1454 13.73426 0.1096954      19.23838 
1 1 1 6   7   7  o 68.79314 13.15050 117.6095       41.67496 182.6676       55.64012 34.46649       62.89993 86.02104 14.01107 48.27515 18.84887 37.74590       23.48596 
1 1 1 6   7   8  o 202.9770 10.26728 990.8796       99.31108 1019.001       139.5236 962.0017       141.3891 205.2656 14.30706 199.3063 14.94728 5.959305       20.69089 
1 1 1 6   7   9  o 590.2689 20.71030 8447.725       583.5410 8462.815       824.6547 8432.590       825.8499 586.5757 29.50095 585.4694 29.60056 1.106262       41.79114 
1 1 1 6   7   10 o 566.5001 7.894736 7684.568       213.8188 7506.878       297.8102 7873.614       307.1784 559.4406 11.13467 572.9289 11.21454 -13.48828      15.80338 
1 1 1 6   7   11 o 405.1606 9.964751 3933.667       193.0199 3879.451       410.3654 3949.069       218.7258 400.0061 21.53774 405.6569 11.28900 -5.650787      24.31699 
1 1 1 6   7   12 o 404.4643 9.847156 3919.365       190.4142 3832.868       212.9083 4265.050       425.6296 399.6953 11.15270 419.6752 21.28288 -19.97983      24.02798 
1 1 1 6   7   13 o 425.6084 10.01765 4340.005       203.8376 4289.027       227.0782 4551.507       462.5297 422.8282 11.24317 433.3250 22.40240 -10.49673      25.06544 
1 1 1 6   7   14 o 560.8587 11.40117 7542.050       305.7111 7645.728       336.5307 7052.520       731.2612 564.5345 12.46883 537.4021 28.56457 27.13245       31.16739 
1 1 1 6   7   15 o 344.8906 12.69203 2858.227       208.9198 2814.832       324.4207 2888.974       273.0821 340.9529 19.99011 346.1188 16.55084 -5.165894      25.95255 
1 1 1 6   7   16 o 580.4134 12.38737 8083.910       343.7360 7098.924       740.4841 8354.460       388.0830 538.6292 28.86065 589.7810 13.76339 -51.15179      31.97449 
1 1 1 6   7   17 o 503.8255 13.34702 6100.714       321.2107 6307.962       634.0980 6029.176       372.5466 508.4709 26.17253 500.3700 15.59234 8.100861       30.46510 
1 1 1 6   7   18 o 173.5555 15.48576 730.5723       127.1446 767.7175       167.5972 680.2096       195.1508 177.0902 20.15353 165.3502 25.50567 11.74005       32.50698 
1 1 1 6   7   19 f 203.2480 16.48439 1002.179       158.8059 906.4661       238.3877 1078.542       212.9328 190.8657 26.86704 209.8546 21.52833 -18.98892      34.42828 
1 1 1 6   7   20 o 297.9371 13.99062 2141.249       198.7262 2186.234       268.4752 2086.730       295.5549 299.9737 18.81505 292.3786 21.28975 7.595123       28.41231 
1 1 1 6   7   21 o 278.4623 14.23462 1873.909       188.8762 1752.752       260.0708 2009.136       274.7564 267.7234 20.47407 286.8295 20.16470 -19.10605      28.73678 
1 1 1 6   7   22 o 112.5999 20.91457 318.7112       108.4451 304.3874       141.1644 339.3373       169.3959 108.8633 27.20199 114.6048 30.41546 -5.741554      40.80501 
1 1 1 6   7   23 o 331.2163 14.94101 2659.500       235.9828 2837.012       327.5917 2468.030       340.2270 340.1658 20.23489 316.1833 22.65739 23.98251       30.37776 
1 1 1 6   7   24 o 169.1470 18.64301 706.6232       148.2634 630.6098       173.5395 912.0500       285.2870 158.1154 23.68521 186.7511 33.16793 -28.63573      40.75661 
1 1 1 6   7   25 o 230.7069 14.72674 1296.762       161.5854 1535.857       220.3206 1018.457       237.7004 249.8152 18.58013 200.5511 25.35698 49.26414       31.43561 
1 1 1 6   7   26 o 116.1621 22.85967 345.7621       122.4300 604.2959       162.0871 2.311636       186.8193 154.5977 22.59742 70.30029 30.37710 84.29745       37.86042 
1 1 1 6   7   27 o 168.4789 17.72487 702.8428       140.6338 791.8459       189.5506 593.8568       209.7528 176.9838 22.94107 149.8814 30.31472 27.10233       38.01677 
1 1 1 6   7   28 o 174.9280 17.74799 758.7867       146.3762 740.9273       197.7651 780.4240       217.6792 169.8823 25.10488 173.4724 27.13552 -3.590088      36.96743 
1 1 1 6   7   29 o 85.14680 27.20979 184.9821       125.0606 48.01559       174.1635 330.7798       179.6906 71.92812 30.13196 110.5872 32.10324 -38.65906      44.02900 
1 1 1 6   7   30 f 68.45287 28.42304 50.40680       152.9664 43.30690       297.9173 52.94871       178.2581 87.69687 38.12486 72.76778 30.48393 14.92908       48.81367 
1 1 1 6   7   31 f 220.9403 16.63103 1209.136       174.3823 1241.531       247.3771 1177.137       245.8576 219.9210 23.91250 213.7281 24.50357 6.192902       34.23789 
1 1 1 6   7   32 o 194.6131 18.23401 948.6202       167.6778 1212.477       237.6812 687.1873       236.5871 217.2874 23.24028 157.7525 32.45292 59.53490       39.91619 
1 1 1 6   7   33 o 65.10267 27.46952 39.23109       146.3889 121.4486       198.5246 -58.74843      216.7205 81.12495 32.88221 68.04025 30.84542 13.08470       45.08525 
1 1 1 6   7   34 o 155.8815 21.67851 633.9959       157.1937 492.5122       228.3356 761.4617       216.7291 128.2291 35.85508 166.5744 28.22102 -38.34532      45.62908 
1 1 1 6   7   35 o 129.0680 25.51735 455.6483       151.8750 384.1553       220.8209 519.8243       209.2159 112.3106 36.18272 132.6847 33.09381 -20.37413      49.03458 
1 1 1 6   7   36 o 112.9589 28.30885 370.8137       152.5595 28.11319       225.6426 659.3848       207.0571 72.63950 32.31264 150.4552 29.83967 -77.81575      43.98309 
1 1 1 6   7   37 o 62.69226 28.39940 -12.42333      183.2918 -68.19334      220.0177 114.0726       331.3564 63.80628 29.69802 84.12245 38.13795 -20.31617      48.33710 
1 1 1 6   7   38 o 113.9399 33.94420 442.1760       198.7058 519.3997       243.7645 289.2404       343.0438 118.4222 38.00320 92.18912 40.47462 26.23312       55.51971 
1 1 1 6   7   39 o 119.5104 28.68681 461.2988       161.8222 787.4902       253.0196 235.5199       210.5037 145.7885 36.41182 82.53609 33.70820 63.25244       49.61919 
1 1 1 6   8   0  o 109.6605 7.479847 289.2438       38.98015 222.0659       57.39753 346.7492       53.10490 95.30326 12.93052 119.9330 9.335105 -24.62971      15.94812 
1 1 1 6   8   1  o 221.4308 10.33192 1178.322       109.0758 1207.445       154.0468 1149.040       154.4670 223.5910 14.48889 218.0267 14.90868 5.564316       20.78934 
1 1 1 6   8   2  o 146.9428 6.575222 517.8696       46.07504 523.7222       68.68316 513.0807       62.12864 147.4759 9.796929 146.0536 8.940406 1.422379       13.26313 
1 1 1 6   8   3  o 172.0807 8.036949 710.8336       65.93719 0.000000       0.000000 710.8336       65.93719 ?        ?        172.0807 8.036949 0.000000       8.036949 
1 1 1 6   8   4  f 135.4847 8.585925 441.5661       55.32811 0.000000       0.000000 441.5661       55.32811 ?        ?        135.4847 8.585925 0.000000       8.585925 
1 1 1 6   8   5  o 193.8332 7.442927 900.9806       68.84502 0.000000       0.000000 900.9806       68.84502 ?        ?        193.8332 7.442927 0.000000       7.442927 
1 1 1 6   8   6  f 158.8158 7.865359 605.5113       59.53429 512.9528       103.2066 651.6694       72.88251 145.2314 15.08352 164.6383 9.297205 -19.40695      17.71865 
1 1 1 6   8   7  o 449.3930 9.915051 4840.971       213.0245 5046.195       505.2871 4796.610       234.9226 455.4213 23.28415 447.1882 10.98819 8.233093       25.74669 
1 1 1 6   8   8  o 511.2823 10.23138 6266.183       250.0939 6506.782       637.3307 6222.391       271.9029 516.5460 25.89012 509.3580 11.16561 7.187988       28.19520 
1 1 1 6   8   9  o 590.4066 20.71708 8430.928       583.8679 8605.308       825.1494 8256.070       826.2797 593.1089 29.18945 580.6102 29.86731 12.49866       41.76218 
1 1 1 6   8   10 o 242.0241 9.178984 1404.994       106.0166 1400.622       129.7451 1413.777       183.9047 241.4384 11.27136 241.9495 15.98825 -0.5111237     19.56190 
1 1 1 6   8   11 o 264.7698 10.08848 1682.065       127.4698 1808.028       213.4906 1612.282       158.9032 273.7046 16.39013 258.9021 12.87816 14.80249       20.84426 
1 1 1 6   8   12 o 171.0782 10.28710 703.8173       83.75008 702.1841       114.7544 705.6787       122.5063 170.4181 14.21394 170.7112 15.16801 -0.2930450     20.78712 
1 1 1 6   8   13 o 375.3433 14.81918 3389.983       265.4036 3499.320       373.9850 3279.051       376.7045 380.1946 20.65254 367.7993 21.51704 12.39539       29.82466 
1 1 1 6   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   8   15 o 225.8892 14.33991 1230.853       154.0645 1457.367       200.4010 903.5096       240.9094 245.4235 17.18817 190.8660 27.16693 54.55748       32.14771 
1 1 1 6   8   16 o 74.95165 29.23501 86.22661       151.1924 144.0347       200.2107 9.510897       230.6403 89.44419 33.96204 80.32255 34.20964 9.121643       48.20497 
1 1 1 6   8   17 o 395.0585 16.07897 3763.812       303.0537 3751.392       411.1401 3778.587       448.4521 392.9168 21.97428 393.7501 23.93554 -0.8332825     32.49275 
1 1 1 6   8   18 o 489.6201 13.48953 5766.377       315.4644 6022.896       607.4914 5671.664       369.1378 496.4025 25.68486 484.9818 15.94209 11.42072       30.23016 
1 1 1 6   8   19 o 535.3623 12.07827 6885.182       309.1440 6940.628       344.8798 6658.458       697.3976 537.2018 13.42833 520.1370 28.14982 17.06482       31.18866 
1 1 1 6   8   20 o 183.5651 17.62669 822.4921       152.7935 905.6206       230.8809 757.7158       203.8079 190.5131 26.02858 174.2252 25.19924 16.28786       36.22828 
1 1 1 6   8   21 o 134.8925 29.57102 468.2510       185.4347 504.9128       241.7493 415.8477       289.0267 138.7635 36.10132 127.7484 41.41547 11.01514       54.94130 
1 1 1 6   8   22 o 188.8198 15.67658 868.6884       140.2414 840.6873       189.1451 902.8768       209.0005 184.0800 21.92239 190.3683 23.45950 -6.288345      32.10824 
1 1 1 6   8   23 o 275.5182 15.59035 1846.169       204.5214 1994.698       268.1287 1639.516       316.2704 284.9557 19.80471 255.5762 26.25695 29.37959       32.88851 
1 1 1 6   8   24 o 43.71225 20.45802 -100.7533      106.7675 -249.2155      143.5586 83.00434       159.7143 43.65759 21.27546 74.60798 29.75147 -30.95039      36.57588 
1 1 1 6   8   25 o 167.8642 17.17543 694.8791       135.8987 666.9807       185.4845 727.2109       199.6790 161.8246 24.76096 168.7923 25.54173 -6.967712      35.57365 
1 1 1 6   8   26 o 88.36703 28.34164 196.7023       135.5893 330.5770       151.8942 -328.3700      300.8164 112.0237 28.34356 68.97292 32.88652 43.05080       43.41521 
1 1 1 6   8   27 o 198.9931 16.14394 973.3765       152.2695 1258.938       205.8699 628.4670       226.2538 225.2100 19.30648 153.3295 31.90454 71.88048       37.29128 
1 1 1 6   8   28 o 137.4557 21.23281 479.7073       135.0425 369.5224       176.8714 633.7184       209.1089 117.1412 31.07506 154.8082 29.32666 -37.66707      42.72836 
1 1 1 6   8   29 o 166.6950 18.65718 695.2626       146.1407 739.1917       194.7329 638.6212       221.1212 169.1918 24.81110 153.8895 31.12540 15.30229       39.80429 
1 1 1 6   8   30 o 283.1585 15.88320 1975.486       214.1567 2201.237       294.6352 1722.629       311.8218 295.7397 20.97461 258.3084 25.58570 37.43121       33.08417 
1 1 1 6   8   31 o 270.8491 16.95642 1817.422       218.4669 2088.063       333.1418 1613.218       289.3776 284.9591 24.69694 250.4147 24.48357 34.54436       34.77620 
1 1 1 6   8   32 o 48.02119 22.50441 -112.5777      129.9157 -178.5014      179.4868 -40.03188      188.2859 54.35052 25.76740 65.37262 29.26835 -11.02210      38.99481 
1 1 1 6   8   33 o 155.4108 19.91141 619.8862       144.5478 443.3756       204.5057 796.1062       204.3373 123.6436 33.68708 172.9029 25.48251 -49.25934      42.23953 
1 1 1 6   8   34 o 57.65300 25.09380 4.316848       129.3904 -380.2855      185.4339 369.2572       180.6318 45.58449 22.59132 112.7229 32.02107 -67.13840      39.18822 
1 1 1 6   8   35 o 65.33978 27.07957 61.67823       138.4832 148.2348       189.3691 -37.82082      203.0339 81.24538 32.39673 66.00315 29.89543 15.24223       44.08270 
1 1 1 6   8   36 o 133.1531 25.09481 496.5637       153.8930 442.1823       215.0690 553.6229       220.3005 116.8108 35.43124 132.2019 34.49653 -15.39111      49.45082 
1 1 1 6   8   37 o 97.61954 32.56655 308.4179       178.2256 305.5780       335.2424 309.5368       210.4260 95.37837 40.94721 96.32040 35.15233 -0.9420242     53.96629 
1 1 1 6   8   38 o 60.45456 27.50957 -6.572818      174.3848 3.206929       344.4976 -9.942113      202.2050 76.01543 35.93755 63.60181 29.19811 12.41362       46.30374 
1 1 1 6   8   39 o 42.42974 21.62393 -760.4890      247.1068 -1313.615      357.5862 -254.9240      341.8672 46.15577 23.70664 63.48209 31.31626 -17.32632      39.27739 
1 1 1 6   9   0  o 523.1578 7.404715 6550.402       185.2036 6486.152       261.2757 6615.288       262.5638 520.2681 10.50421 525.4279 10.45233 -5.159851      14.81856 
1 1 1 6   9   1  o 214.6523 7.050880 1103.837       72.25991 1117.398       100.9179 1089.570       103.5134 215.7478 9.809596 213.0024 10.19451 2.745407       14.14766 
1 1 1 6   9   2  o 167.3340 6.007043 670.7604       47.97866 730.0898       79.78622 637.1538       60.04890 174.3133 9.611099 162.9660 7.729282 11.34731       12.33349 
1 1 1 6   9   3  o 594.0983 7.562768 8448.467       214.8065 0.000000       0.000000 8448.467       214.8065 ?        ?        594.0983 7.562768 0.000000       7.562768 
1 1 1 6   9   4  o 142.7249 8.839848 489.7001       60.02279 0.000000       0.000000 489.7001       60.02279 ?        ?        142.7249 8.839848 0.000000       8.839848 
1 1 1 6   9   5  o 704.9144 23.53844 12045.96       792.1601 0.000000       0.000000 12045.96       792.1601 ?        ?        704.9144 23.53844 0.000000       23.53844 
1 1 1 6   9   6  o 345.2729 10.92387 2860.480       180.0945 2845.876       312.0382 2867.775       220.5325 343.0674 19.10019 345.3892 13.38067 -2.321838      23.32080 
1 1 1 6   9   7  o 642.6111 22.27141 9994.816       683.1993 10035.68       965.5685 9953.850       966.8120 639.9167 31.65934 637.2086 31.83683 2.708069       44.89875 
1 1 1 6   9   8  o 245.7507 8.892409 1448.103       104.3052 1504.461       127.0561 1331.615       182.6657 250.3307 10.64057 234.7581 16.37799 15.57268       19.53101 
1 1 1 6   9   9  o 311.6835 12.67412 2334.358       188.4661 2279.036       265.3270 2390.696       267.7522 307.1208 18.15118 314.6294 17.87374 -7.508606      25.47423 
1 1 1 6   9   10 o 62.76884 20.64699 90.96772       71.70786 177.1789       119.9934 43.07658       89.43410 85.57464 26.56074 56.61181 22.36317 28.96283       34.72153 
1 1 1 6   9   11 o 636.6156 22.07834 9806.664       670.9562 9634.124       947.0797 9980.519       950.6812 626.9771 31.69844 638.3978 31.24325 -11.42078      44.50766 
1 1 1 6   9   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   9   13 o 386.8961 11.92765 3593.905       220.3629 3725.852       399.5886 3536.240       264.1633 392.0675 21.39900 383.3869 14.43788 8.680573       25.81414 
1 1 1 6   9   14 o 490.2355 18.00426 5799.334       421.2598 6121.526       594.5766 5474.583       596.9330 501.5776 24.87243 473.7129 26.46255 27.86472       36.31672 
1 1 1 6   9   15 o 164.1722 13.53869 651.7250       105.3199 615.8954       145.9733 690.6283       152.1056 158.5309 19.68231 168.0857 19.27645 -9.554794      27.54950 
1 1 1 6   9   16 o 533.8705 11.82170 6839.881       301.7339 6917.539       336.6280 6522.475       680.5575 536.6500 13.12051 516.1483 27.68047 20.50177       30.63260 
1 1 1 6   9   17 o 601.4863 21.49802 8779.692       617.2110 9275.158       870.8334 8279.569       874.9174 614.0861 29.75032 578.9966 31.72822 35.08942       43.49438 
1 1 1 6   9   18 o 326.4707 14.53356 2570.835       226.2740 2637.421       315.4747 2500.288       324.7253 329.3398 20.13224 320.2990 21.32717 9.040802       29.32840 
1 1 1 6   9   19 f 63.06130 25.91398 34.79228       125.3805 79.68073       213.6852 11.22406       154.8356 83.60764 34.03108 66.33714 28.13272 17.27049       44.15387 
1 1 1 6   9   20 o 607.1660 10.03409 8851.385       291.2688 9088.233       390.0110 8552.689       437.9823 614.2189 13.28145 594.8611 15.41341 19.35773       20.34625 
1 1 1 6   9   21 o 256.2137 14.44500 1590.384       176.2243 1757.530       239.1340 1391.734       260.6974 268.1877 18.76915 237.0582 23.30330 31.12949       29.92197 
1 1 1 6   9   22 o 297.9141 13.88694 2149.256       197.2466 2193.062       259.0399 2088.810       304.2894 299.5811 18.17150 290.8604 22.04653 8.720703       28.57015 
1 1 1 6   9   23 o 112.6429 21.86669 322.4126       113.5120 316.9304       143.3675 331.6232       185.8298 110.4283 27.30991 112.5069 32.64308 -2.078583      42.56057 
1 1 1 6   9   24 o 39.54617 19.11854 -170.6158      109.9739 -110.7135      143.1974 -256.7475      171.7097 52.06542 24.13922 49.50010 23.92070 2.565315       33.98385 
1 1 1 6   9   25 o 289.5140 15.03509 2043.569       207.3927 2082.727       287.0564 2000.812       299.9644 289.6964 20.86580 283.1591 22.33884 6.537292       30.56804 
1 1 1 6   9   26 o 171.6200 20.53799 737.5118       165.1712 705.4141       194.9922 819.0424       310.7713 165.8639 25.39713 172.1054 38.71008 -6.241486      46.29778 
1 1 1 6   9   27 o 448.4176 17.92209 4950.984       383.4457 5057.187       539.2626 4842.375       545.3366 446.7774 25.35049 436.2571 26.26820 10.52029       36.50570 
1 1 1 6   9   28 o 329.8965 15.84577 2670.798       249.1884 3141.432       348.5186 2178.567       356.4257 354.7049 20.64100 291.6457 25.82939 63.05923       33.06370 
1 1 1 6   9   29 o 91.96614 28.08875 222.6285       134.8540 88.31607       182.1456 385.5585       200.6140 77.08629 31.40342 118.0505 33.81498 -40.96416      46.14788 
1 1 1 6   9   30 o 68.24915 27.40373 72.33946       136.4600 188.5268       181.9843 -76.90285      206.2532 88.94505 32.65350 66.09385 30.01376 22.85120       44.35174 
1 1 1 6   9   31 o 79.32942 31.24782 120.8097       174.1659 -246.4706      310.5573 289.3263       210.3606 72.20181 34.13063 103.5464 35.37975 -31.34462      49.15919 
1 1 1 6   9   32 o 66.58480 27.18343 63.64742       136.8353 99.71815       180.2440 14.57856       210.2260 76.92977 31.27652 72.85726 31.84369 4.072510       44.63453 
1 1 1 6   9   33 o 84.95576 27.38641 193.8611       126.4925 111.5209       174.7739 284.4367       183.3057 76.81267 30.95335 100.2195 33.01341 -23.40686      45.25478 
1 1 1 6   9   34 o 126.1395 23.73876 428.2104       137.9064 331.8067       193.1197 528.5233       196.9964 106.0177 33.80532 135.4761 31.07697 -29.45841      45.91925 
1 1 1 6   9   35 o 67.05743 26.89280 86.16918       131.2527 -311.2563      184.4012 494.2718       186.8619 47.55467 23.36921 129.8719 30.60088 -82.31723      38.50368 
1 1 1 6   9   36 o 81.96098 31.00722 188.3122       166.5253 11.65282       317.4543 255.3775       195.5967 78.52792 36.24339 91.17518 33.78561 -12.64726      49.54847 
1 1 1 6   9   37 o 120.7120 31.88386 469.7444       186.7122 1526.621       336.5949 -0.1391805E-04 224.4017 219.0037 33.18611 67.69051 30.95665 151.3132       45.38317 
1 1 1 6   9   38 o 111.2260 33.19411 434.9375       189.8909 486.9680       342.6766 411.8802       228.1182 101.6187 42.39579 102.9852 36.72873 -1.366516      56.09280 
1 1 1 6   9   39 o 88.71127 31.33274 287.6910       165.6586 348.8804       250.5831 240.1876       220.7884 89.75032 36.73043 80.69405 33.87321 9.056267       49.96518 
1 1 1 6   10  0  o 273.7826 8.701325 1796.464       113.7490 1806.952       134.4622 1770.071       213.3112 274.4422 10.26614 270.8396 16.55283 3.602570       19.47793 
1 1 1 6   10  1  o 268.1621 11.46600 1726.880       146.6609 1768.630       207.3964 1685.119       207.4232 270.7978 16.09202 264.2432 16.50131 6.554596       23.04878 
1 1 1 6   10  2  o 678.9637 7.376302 11032.43       239.4383 11692.01       342.4548 10401.62       334.9052 698.5907 10.25350 658.8589 10.63215 39.73181       14.77081 
1 1 1 6   10  3  o 257.8024 7.926569 1592.356       97.58076 0.000000       0.000000 1592.356       97.58076 ?        ?        257.8024 7.926569 0.000000       7.926569 
1 1 1 6   10  4  o 354.1668 8.939661 3005.458       151.2481 0.000000       0.000000 3005.458       151.2481 ?        ?        354.1668 8.939661 0.000000       8.939661 
1 1 1 6   10  5  o 273.9041 8.829750 1798.261       115.4749 0.000000       0.000000 1798.261       115.4749 ?        ?        273.9041 8.829750 0.000000       8.829750 
1 1 1 6   10  6  o 219.2947 10.81350 1155.269       113.0216 0.000000       0.000000 1155.269       113.0216 ?        ?        219.2947 10.81350 0.000000       10.81350 
1 1 1 6   10  7  o 474.2755 8.555687 5385.657       193.9965 4215.169       510.7635 5582.979       209.7120 416.1216 25.80077 482.8362 9.084793 -66.71466      27.35349 
1 1 1 6   10  8  o 369.2013 10.10076 3268.239       178.1220 2758.110       324.6482 3487.938       213.0532 337.5564 20.20930 381.2245 11.70344 -43.66809      23.35351 
1 1 1 6   10  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   10  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   10  11 o 452.4803 8.889522 4903.432       192.3031 4906.935       264.2049 4899.485       280.4357 452.0959 12.23493 451.6270 13.00161 0.4689026      17.85316 
1 1 1 6   10  12 o 584.3987 11.08714 8188.719       309.7686 8113.974       334.2559 8643.515       824.5073 581.5705 12.02177 594.4571 29.09962 -12.88660      31.48509 
1 1 1 6   10  13 f 264.1584 11.45537 1676.788       144.3272 1623.157       191.6861 1746.991       219.3106 259.3199 15.53250 268.7866 17.15603 -9.466675      23.14277 
1 1 1 6   10  14 o 269.4766 12.94874 1747.727       166.3353 1736.027       233.2400 1759.836       237.2792 267.6617 18.33749 269.4608 18.53139 -1.799133      26.07060 
1 1 1 6   10  15 o 493.9121 18.16914 5894.488       428.3035 6234.733       604.4649 5551.419       606.9680 505.5652 25.08674 476.3255 26.76108 29.23969       36.68106 
1 1 1 6   10  16 o 191.9130 14.68643 891.3671       133.7264 778.8843       208.5551 969.9030       174.2658 177.0723 25.35853 199.5521 18.47593 -22.47980      31.37539 
1 1 1 6   10  17 o 283.7610 13.74883 1941.786       185.9655 2081.066       257.8943 1790.914       268.4108 292.7646 18.52023 270.9178 20.88416 21.84680       27.91320 
1 1 1 6   10  18 o 313.7838 13.05226 2373.358       195.3779 2589.783       257.1749 2077.949       300.4594 327.0054 16.50333 291.3886 21.72407 35.61676       27.28177 
1 1 1 6   10  19 o 82.19872 27.64775 158.0854       128.4241 352.8351       220.7935 58.51159       157.8776 117.5350 35.94963 72.06464 29.28165 45.47041       46.36584 
1 1 1 6   10  20 o 350.8262 14.49176 2977.756       242.5411 3248.777       363.9575 2761.251       325.2988 364.1199 20.99633 335.8495 20.35510 28.27039       29.24339 
1 1 1 6   10  21 o 78.25533 25.65701 147.1501       110.7665 259.0461       145.6308 -6.430638      170.6138 100.4575 28.82195 67.14983 29.02277 33.30768       40.90264 
1 1 1 6   10  22 o 331.7441 15.11045 2674.147       239.0271 2839.737       325.9482 2481.496       351.5753 339.7650 20.15662 315.9569 23.44158 23.80811       30.91597 
1 1 1 6   10  23 o 65.51014 27.17631 37.46437       139.6617 -96.13445      215.5037 134.2067       183.3842 67.73885 30.72860 84.04983 32.35686 -16.31097      44.62302 
1 1 1 6   10  24 o 91.32283 29.48495 210.0613       146.5836 110.3567       227.7389 280.5831       191.5320 86.69702 35.19010 104.2845 33.70666 -17.58752      48.72866 
1 1 1 6   10  25 o 76.11707 25.91651 137.8018       112.8605 147.5354       140.9518 120.4127       188.3954 80.60966 28.85715 82.60559 32.51119 -1.995934      43.47082 
1 1 1 6   10  26 o 319.7788 16.11264 2505.697       245.5405 2841.501       332.1938 2101.291       364.5507 337.9741 20.65757 286.5334 26.92740 51.44061       33.93848 
1 1 1 6   10  27 o 166.4580 22.24099 703.5404       172.5723 569.0473       279.2808 786.6107       219.4897 141.5517 39.68037 173.7322 27.32707 -32.18050      48.17988 
1 1 1 6   10  28 o 46.86436 22.02151 -118.8627      125.8483 0.1405512E-03  169.5542 -264.6724      187.7927 66.19224 28.76902 51.85706 25.04895 14.33518       38.14586 
1 1 1 6   10  29 o 70.02693 29.36737 47.19379       165.7118 328.3710       303.8023 -71.89599      197.7144 111.9977 41.98681 65.02730 29.47248 46.97044       51.29834 
1 1 1 6   10  30 o 104.7267 28.06113 296.0334       143.3290 221.6804       194.6976 383.9998       211.7727 94.08570 33.88675 116.9612 35.08949 -22.87548      48.78098 
1 1 1 6   10  31 o 79.90007 30.95375 133.2172       168.5969 64.86388       192.3972 359.3564       349.9507 75.23949 31.60429 114.9235 44.57539 -39.68402      54.64244 
1 1 1 6   10  32 o 89.67151 35.90392 176.8917       233.5570 197.3310       306.9240 148.7746       359.9838 96.82253 40.23700 96.99800 42.04004 -0.1754761     58.19262 
1 1 1 6   10  33 o 120.5052 30.40969 415.4815       175.1720 607.3495       198.4905 -260.2143      372.4895 147.2937 29.21884 76.38818 36.46997 70.90548       46.73114 
1 1 1 6   10  34 o 155.5953 25.91018 662.4104       185.9667 857.3434       221.1331 191.5128       343.6959 176.3922 27.08649 95.73573 41.28426 80.65651       49.37680 
1 1 1 6   10  35 o 84.20437 31.84005 194.7682       175.5400 218.3381       210.8733 141.5728       316.7962 88.42235 34.51558 87.62103 38.66587 0.8013229      51.83025 
1 1 1 6   10  36 o 59.83826 28.63100 -167.8067      232.2632 -110.4083      340.5649 -217.7183      317.5781 73.52259 35.03796 67.33930 32.53894 6.183289       47.81675 
1 1 1 6   10  37 o 73.33565 33.06767 69.51118       245.1482 -66.34927      365.9097 180.1582       330.2153 75.10859 35.93713 84.67899 38.26225 -9.570396      52.49264 
1 1 1 6   10  38 o 59.01716 27.46684 -28.73226      188.1425 -75.04589      223.3663 84.36896       349.0575 60.26524 28.62183 76.13428 36.04748 -15.86904      46.02858 
1 1 1 6   11  0  o 64.48267 10.76155 102.3244       32.00770 175.0430       45.11760 28.64298       45.41530 84.68961 11.43505 42.09266 16.12837 42.59695       19.77080 
1 1 1 6   11  1  o 244.7329 7.461620 1434.843       87.20198 1551.248       123.0586 1317.435       123.5876 254.2498 10.14415 234.1813 11.06994 20.06850       15.01490 
1 1 1 6   11  2  o 256.5403 9.015190 1578.006       110.3985 1592.284       188.6546 1570.571       136.1437 256.9534 15.42799 255.7276 11.16244 1.225830       19.04266 
1 1 1 6   11  3  o 1109.371 9.611206 29480.04       509.7567 0.000000       0.000000 29480.04       509.7567 ?        ?        1109.371 9.611206 0.000000       9.611206 
1 1 1 6   11  4  o 644.7170 22.28272 10058.65       685.7918 0.000000       0.000000 10058.65       685.7918 ?        ?        644.7170 22.28272 0.000000       22.28272 
1 1 1 6   11  5  o 775.9569 26.55030 14639.62       983.5020 0.000000       0.000000 14639.62       983.5020 ?        ?        775.9569 26.55030 0.000000       26.55030 
1 1 1 6   11  6  o 265.8836 8.381425 1694.303       106.4082 0.000000       0.000000 1694.303       106.4082 ?        ?        265.8836 8.381425 0.000000       8.381425 
1 1 1 6   11  7  o 530.5043 15.35825 6770.161       389.1181 6843.835       673.6331 6733.268       476.6905 530.0489 26.66838 528.1999 18.90737 1.848999       32.69084 
1 1 1 6   11  8  o 109.8794 9.484254 291.3653       49.33554 265.9655       82.42823 305.5435       61.58457 103.7644 17.21902 112.2804 11.64126 -8.515976      20.78493 
1 1 1 6   11  9  o 611.4949 10.70160 8963.376       312.8600 9054.285       335.7828 8364.913       861.5346 614.4680 11.43012 584.0184 30.96655 30.44952       33.00871 
1 1 1 6   11  10 o 301.3830 12.30161 2183.083       176.8787 2242.104       261.8881 2133.577       239.8506 304.4951 18.07111 297.2162 16.94978 7.278839       24.77620 
1 1 1 6   11  11 o 625.8651 21.89630 9491.095       654.1694 9490.154       924.2412 9492.039       926.0319 621.5589 31.20224 621.5891 31.26155 -0.3021240E-01 44.16859 
1 1 1 6   11  12 o 427.0409 12.00172 4379.714       244.7881 4942.155       490.9023 4193.581       282.4031 450.9659 22.84335 417.4754 14.16968 33.49048       26.88119 
1 1 1 6   11  13 o 559.0310 20.03209 7565.157       534.5250 7759.874       753.1215 7367.506       758.7751 562.8223 28.07753 547.8976 29.07117 14.92468       40.41634 
1 1 1 6   11  14 o 334.2950 10.78053 2683.566       172.0720 2940.435       208.1051 2128.375       305.9488 349.6823 12.46799 295.4976 21.81011 54.18469       25.12234 
1 1 1 6   11  15 o 316.1723 13.90933 2409.451       209.7367 2754.297       294.5546 2054.798       298.7140 337.0885 18.34652 290.1668 21.68967 46.92169       28.40839 
1 1 1 6   11  16 o 232.3296 13.02006 1302.348       144.0406 1410.494       201.3734 1189.046       206.1178 240.9173 17.60492 220.6032 19.75198 20.31403       26.45891 
1 1 1 6   11  17 o 633.0321 22.53452 9791.873       680.9089 10629.96       961.8439 8949.914       964.0612 653.4481 30.87558 597.0244 33.91518 56.42365       45.86437 
1 1 1 6   11  18 o 515.9010 19.16431 6478.009       471.8591 6903.313       663.8611 6043.753       670.8121 528.4271 26.36072 492.9180 28.58811 35.50909       38.88660 
1 1 1 6   11  19 o 284.1310 14.01405 1953.754       189.7792 2010.215       259.9626 1889.331       277.6903 286.7394 19.07175 277.2501 21.10851 9.489288       28.44821 
1 1 1 6   11  20 o 510.6655 14.20015 6310.522       346.3506 7372.018       703.8591 5971.375       397.8511 543.3514 27.18178 495.5291 16.81794 47.82230       31.96392 
1 1 1 6   11  21 o 131.4543 19.30933 431.2038       117.7386 468.1913       154.1862 379.4700       182.3499 135.4360 24.72310 120.0563 31.41315 15.37971       39.97522 
1 1 1 6   11  22 o 60.31516 24.51268 41.85094       110.6669 194.6724       140.8600 -204.5981      178.8789 88.58944 28.92640 53.81031 25.57264 34.77913       38.60954 
1 1 1 6   11  23 o 199.8264 16.01977 978.8838       151.7634 1212.396       201.1946 670.6218       231.1645 221.3809 19.19900 159.3465 31.46083 62.03435       36.85628 
1 1 1 6   11  24 o 213.0010 16.01891 1112.584       161.9307 1315.404       215.2664 848.2326       245.7605 230.2546 19.74553 180.3372 29.52565 49.91737       35.51971 
1 1 1 6   11  25 f 167.6000 17.20579 695.2976       135.9104 691.3524       170.6868 702.1324       224.6603 165.3085 22.15440 163.1442 29.90530 2.164291       37.21753 
1 1 1 6   11  26 f 264.8397 17.08527 1728.513       215.1740 1636.636       267.7053 1896.212       361.6749 255.0849 22.17150 270.5832 28.38000 -15.49828      36.01389 
1 1 1 6   11  27 o 112.6164 24.40141 332.3812       127.5759 401.7371       160.3174 212.6273       210.6609 122.6831 27.95791 94.75674 35.07173 27.92641       44.85165 
1 1 1 6   11  28 o 182.0976 20.99858 840.4606       179.4670 1124.990       277.8174 636.6935       235.1055 206.1320 28.99065 151.8347 33.30595 54.29733       44.15590 
1 1 1 6   11  29 o 164.2760 22.23525 691.7615       170.1529 602.8950       194.7840 977.9911       349.5759 150.2351 28.15318 182.8138 41.00888 -32.57869      49.74263 
1 1 1 6   11  30 o 108.4530 36.55669 326.2960       224.5190 379.6918       290.7333 247.4024       353.3961 115.8508 41.44768 106.3385 43.58081 9.512306       60.14314 
1 1 1 6   11  31 o 205.0696 17.87301 1058.616       173.4806 1159.453       232.8570 932.8329       260.0698 210.9664 23.48464 183.8807 30.66235 27.08574       38.62263 
1 1 1 6   11  32 o 63.98490 26.78301 46.76145       137.4341 139.5190       179.6281 -84.19987      213.4378 80.38255 31.71202 65.17206 29.94809 15.21049       43.61812 
1 1 1 6   11  33 o 132.1358 25.09232 475.6338       152.7196 769.9551       202.8342 90.38477       232.0605 168.1287 26.07853 79.97881 34.19612 88.14986       43.00539 
1 1 1 6   11  34 o 149.7846 23.50652 607.6373       162.7948 761.9283       215.2050 401.2353       248.9081 163.7934 28.51747 111.1479 38.46598 52.64545       47.88400 
1 1 1 6   11  35 o 113.9401 28.82568 390.1957       157.1161 679.1061       207.6503 3.290198       240.2998 150.5055 29.91244 70.88992 32.27162 79.61562       44.00240 
1 1 1 6   11  36 o 95.17898 32.26944 296.9209       174.9528 730.5831       343.3237 144.8083       203.3342 129.6418 45.15867 77.10819 32.44575 52.53365       55.60604 
1 1 1 6   11  37 o 74.83005 28.94250 166.4230       147.2205 87.16831       210.9922 241.6186       205.5182 70.41722 31.28964 84.38788 33.71646 -13.97066      45.99828 
1 1 1 6   11  38 o 100.1934 29.73826 349.8593       152.7384 445.5428       221.4227 262.9998       210.9660 102.9334 36.23589 82.91034 33.78891 20.02302       49.54524 
1 1 1 6   12  0  o 469.3281 9.359837 5276.828       210.0164 4683.669       504.3561 5401.252       230.9955 438.8551 24.13141 474.7354 10.17756 -35.88028      26.18983 
1 1 1 6   12  1  o 313.3463 10.33941 2355.777       154.6797 2315.751       265.6752 2376.302       190.2496 309.5030 18.03279 314.4182 12.68235 -4.915253      22.04595 
1 1 1 6   12  2  f 320.8156 7.026883 2463.278       107.7771 2540.213       154.7776 2390.857       150.1667 325.4381 9.959620 315.7165 9.961206 9.721649       14.08615 
1 1 1 6   12  3  o 261.5842 8.947053 1640.799       111.7275 0.000000       0.000000 1640.799       111.7275 ?        ?        261.5842 8.947053 0.000000       8.947053 
1 1 1 6   12  4  o 371.5155 14.16620 3320.402       251.1553 0.000000       0.000000 3320.402       251.1553 ?        ?        371.5155 14.16620 0.000000       14.16620 
1 1 1 6   12  5  o 148.5624 10.52800 531.6726       74.29176 0.000000       0.000000 531.6726       74.29176 ?        ?        148.5624 10.52800 0.000000       10.52800 
1 1 1 6   12  6  o 287.4215 12.04610 1985.429       165.1620 0.000000       0.000000 1985.429       165.1620 ?        ?        287.4215 12.04610 0.000000       12.04610 
1 1 1 6   12  7  f 123.4298 11.53824 368.5810       67.29855 0.000000       0.000000 368.5810       67.29855 ?        ?        123.4298 11.53824 0.000000       11.53824 
1 1 1 6   12  8  o 49.82572 16.45951 56.90826       45.55384 -22.09496      98.54276 78.37945       51.37246 49.66536 21.75219 56.92910 17.32661 -7.263741      27.80951 
1 1 1 6   12  9  o 96.28546 11.92035 225.8264       53.70202 74.10924       112.1394 270.9738       61.17260 66.30352 25.35894 105.5400 12.35730 -39.23643      28.20955 
1 1 1 6   12  10 o 586.6125 8.669182 8243.229       243.1296 7821.632       324.1688 8785.311       367.5832 570.8873 11.87716 604.8611 12.71135 -33.97382      17.39670 
1 1 1 6   12  11 o 159.0609 12.77055 611.5464       96.29852 631.5065       137.6855 592.4324       134.7357 160.7518 18.23718 155.5903 18.47321 5.161530       25.95870 
1 1 1 6   12  12 o 190.3838 13.36104 875.4843       120.8405 927.2362       183.1733 835.6056       160.7939 194.7613 19.95391 185.1032 18.41361 9.658081       27.15179 
1 1 1 6   12  13 o 316.5168 11.90124 2409.633       179.7725 2494.676       229.0809 2273.301       290.0467 321.4973 14.94491 305.7066 19.95422 15.79065       24.93033 
1 1 1 6   12  14 o 48.84789 20.00486 20.64760       74.39529 30.18408       80.55043 -34.69524      194.0459 52.09476 21.00631 69.64897 30.51379 -17.55421      37.04533 
1 1 1 6   12  15 o 127.7133 16.29536 400.2679       97.23347 422.3888       109.9119 320.6346       208.5405 130.8820 18.04504 112.8144 35.01518 18.06754       39.39145 
1 1 1 6   12  16 o 270.3947 13.14378 1765.259       169.4040 1880.462       233.8369 1638.013       245.7542 278.0021 17.68537 258.7334 20.02306 19.26871       26.71507 
1 1 1 6   12  17 o 316.3616 13.12573 2416.699       198.0939 2503.839       299.5372 2348.962       264.0928 320.0513 19.67099 310.5641 17.86211 9.487122       26.57071 
1 1 1 6   12  18 o 307.3825 14.05612 2287.353       206.0165 2542.443       287.9419 2019.813       294.8847 322.5555 18.75292 286.2925 21.70612 36.26300       28.68497 
1 1 1 6   12  19 o 315.3958 13.02645 2406.077       195.9994 2519.238       252.8551 2235.732       310.2320 321.6131 16.49999 300.8763 21.71308 20.73682       27.27100 
1 1 1 6   12  20 o 179.5596 17.45020 793.1826       147.9149 1046.139       222.9087 594.1716       197.7164 204.4055 23.22112 151.5679 28.32647 52.83760       36.62798 
1 1 1 6   12  21 o 288.6190 12.67707 2018.043       174.4983 2044.383       208.8537 1957.143       317.5684 289.6886 15.13251 279.4984 23.99771 10.19019       28.37045 
1 1 1 6   12  22 o 309.1953 15.11008 2330.336       222.6850 2763.781       304.3720 1831.101       326.6558 334.9042 19.08877 269.0312 25.70916 65.87299       32.02097 
1 1 1 6   12  23 o 358.2364 13.49302 3116.913       230.6802 3377.041       297.1415 2722.318       365.9698 371.3214 16.78143 329.5712 23.37847 41.75024       28.77793 
1 1 1 6   12  24 o 252.0869 16.42556 1560.790       196.8826 1707.596       277.9081 1412.867       278.9629 260.7450 22.51374 235.6062 25.15441 25.13878       33.75815 
1 1 1 6   12  25 o 197.6189 19.22697 973.6698       179.3614 983.5878       207.2103 944.0323       358.1961 197.2296 22.36970 181.4984 42.09786 15.73119       47.67215 
1 1 1 6   12  26 o 201.9541 17.26630 1011.190       165.1117 1109.536       217.8473 878.4324       253.1058 209.3014 22.10417 181.6564 30.20376 27.64497       37.42809 
1 1 1 6   12  27 o 68.93606 27.24941 81.07741       132.8647 90.62390       169.9547 66.07291       213.0699 75.55118 30.49574 78.88490 33.20456 -3.333725      45.08362 
1 1 1 6   12  28 o 64.39879 28.11386 -4.271758      163.4475 -156.5560      183.4515 581.9908       359.9481 56.66520 26.61462 138.0728 46.28526 -81.40765      53.39161 
1 1 1 6   12  29 o 128.4429 23.49011 431.3929       138.9321 435.2602       175.0538 424.8114       228.3678 126.2154 29.53663 121.8462 36.41127 4.369133       46.88489 
1 1 1 6   12  30 o 149.1737 21.62654 575.9200       149.7439 571.9200       193.0342 581.9642       237.2911 144.5363 28.94517 141.7525 35.18038 2.783798       45.55745 
1 1 1 6   12  31 o 46.70356 22.03212 -119.2782      128.1914 -91.89766      163.1055 -163.5188      207.3285 56.06257 25.91180 59.49550 28.05216 -3.432930      38.18828 
1 1 1 6   12  32 o 177.3464 19.79408 812.0908       164.9705 1077.735       217.6877 453.7057       252.8475 202.1199 22.93252 120.0948 38.72023 82.02515       45.00174 
1 1 1 6   12  33 o 54.10225 26.54848 -363.5763      235.2829 -299.7309      303.5329 -459.6859      372.4128 65.83209 31.81080 68.32759 33.50272 -2.495499      46.19912 
1 1 1 6   12  34 o 58.73742 26.76461 -37.58479      165.7789 15.98167       184.0805 -267.5015      381.3701 65.69518 29.20674 72.90674 35.33181 -7.211563      45.84071 
1 1 1 6   12  35 o 78.53151 31.40443 167.8373       178.4589 218.5265       199.6511 -33.62716      398.0279 85.03666 33.46820 79.79115 37.98405 5.245506       50.62518 
1 1 1 6   12  36 o 69.05495 32.20990 -12.76677      261.0255 -246.8130      340.5068 320.7700       406.4872 66.28988 32.40482 92.30408 42.00169 -26.01420      53.04917 
1 1 1 6   12  37 o 57.24997 26.73241 -36.85515      180.5828 32.73138       205.9011 -268.7606      375.8820 64.44772 29.54087 65.31913 32.33473 -0.8714142     43.79723 
1 1 1 6   13  0  o 263.0007 11.43816 1663.002       143.4768 1653.097       202.4335 1673.000       203.3835 261.4476 16.27604 263.0269 16.25301 -1.579346      23.00152 
1 1 1 6   13  1  o 360.5682 11.35639 3122.542       195.5213 2701.750       336.2460 3337.504       240.3285 333.3631 21.20747 372.4232 13.52015 -39.06015      25.15057 
1 1 1 6   13  2  o 316.8618 8.081660 2406.100       122.3276 2341.521       267.8768 2423.115       137.5018 311.0036 18.09426 317.8788 9.056939 -6.875183      20.23439 
1 1 1 6   13  3  o 418.4413 9.493247 4196.292       189.9143 0.000000       0.000000 4196.292       189.9143 ?        ?        418.4413 9.493247 0.000000       9.493247 
1 1 1 6   13  4  o 150.6028 10.52665 546.5315       75.31616 0.000000       0.000000 546.5315       75.31616 ?        ?        150.6028 10.52665 0.000000       10.52665 
1 1 1 6   13  5  o 497.6154 10.90773 5939.657       259.4996 0.000000       0.000000 5939.657       259.4996 ?        ?        497.6154 10.90773 0.000000       10.90773 
1 1 1 6   13  6  o 376.8519 14.39920 3420.511       258.9511 0.000000       0.000000 3420.511       258.9511 ?        ?        376.8519 14.39920 0.000000       14.39920 
1 1 1 6   13  7  o 232.8516 9.250710 1301.491       102.7774 0.000000       0.000000 1301.491       102.7774 ?        ?        232.8516 9.250710 0.000000       9.250710 
1 1 1 6   13  8  o 138.0419 11.55346 460.5795       75.54978 0.000000       0.000000 460.5795       75.54978 ?        ?        138.0419 11.55346 0.000000       11.55346 
1 1 1 6   13  9  o 253.1915 7.527650 1536.619       91.01949 1442.293       160.0096 1581.741       110.6687 244.4968 13.74411 256.7326 9.030511 -12.23587      16.44538 
1 1 1 6   13  10 o 113.3156 11.51697 311.4893       61.52713 339.6446       121.3214 301.7406       71.38855 116.2655 22.64072 111.1627 13.72372 5.102814       26.47533 
1 1 1 6   13  11 o 66.48220 22.72719 99.36477       86.80760 49.21487       117.2878 160.1132       129.0878 63.36916 25.41908 82.83247 27.71751 -19.46332      37.60837 
1 1 1 6   13  12 o 436.3836 10.51860 4572.110       219.4496 4666.064       247.5907 4227.848       473.9379 440.4482 11.76848 415.2018 23.97756 25.24631       26.70994 
1 1 1 6   13  13 o 423.1136 16.28217 4333.825       328.7505 4613.959       462.9750 4048.925       466.8966 434.2053 22.37802 405.8889 24.16999 28.31635       32.93879 
1 1 1 6   13  14 o 332.6672 14.21276 2674.613       225.5251 2858.281       316.2809 2484.635       321.6686 342.3329 19.40430 318.4607 21.24889 23.87228       28.77572 
1 1 1 6   13  15 o 180.0343 14.61103 787.9297       124.6806 703.7938       183.2838 860.3995       170.1030 167.8318 23.48434 187.0720 19.29584 -19.24014      30.39480 
1 1 1 6   13  16 o 475.8150 17.86063 5512.232       405.5755 5668.143       568.7827 5350.958       578.4810 478.4053 24.95433 463.9803 26.18468 14.42502       36.17121 
1 1 1 6   13  17 o 101.7094 21.27486 262.7775       100.1208 -59.29057      148.7638 529.4496       135.3668 57.74173 25.92108 145.8787 19.92998 -88.13699      32.69719 
1 1 1 6   13  18 f 405.1230 16.15621 3995.146       312.2935 4370.037       439.1680 3611.659       444.1740 420.6013 21.91555 380.7020 24.53455 39.89935       32.89735 
1 1 1 6   13  19 o 371.1269 13.97857 3341.799       247.5806 4094.379       414.0420 2922.946       308.8866 406.9415 21.35634 344.9865 18.79892 61.95505       28.45158 
1 1 1 6   13  20 o 80.83225 24.41248 165.1393       102.2553 200.6064       131.1111 110.0678       163.3764 88.98431 27.78684 78.30022 30.43286 10.68408       41.21004 
1 1 1 6   13  21 o 157.5813 16.68212 612.6810       123.7732 766.9802       160.5190 386.4024       194.3866 175.5906 19.44688 120.1187 32.89070 55.47189       38.20967 
1 1 1 6   13  22 o 260.0089 15.71137 1654.527       194.3925 1618.510       240.6322 1722.190       329.8137 255.3913 19.86395 259.6050 26.96581 -4.213699      33.49226 
1 1 1 6   13  23 o 179.3991 16.42192 793.6772       139.2880 939.7551       179.2920 571.3004       221.2145 194.1377 19.58456 145.4931 32.61114 48.64468       38.04000 
1 1 1 6   13  24 f 136.8992 23.53098 482.6930       148.4604 461.5803       164.7150 574.1045       342.7374 132.4367 26.93284 140.2862 45.06672 -7.849426      52.50131 
1 1 1 6   13  25 f 47.02276 21.83541 -91.33690      117.8684 -107.2112      144.0581 -59.18694      205.0125 52.01014 24.14734 67.47518 30.34852 -15.46505      38.78307 
1 1 1 6   13  26 o 134.3727 25.54165 474.9969       158.0885 520.2402       174.9637 273.8117       368.9510 140.0248 27.11556 110.6539 44.83569 29.37095       52.39745 
1 1 1 6   13  27 o 135.6493 29.15018 497.3092       183.4121 617.1373       288.8552 416.3607       237.4133 144.9468 40.25320 120.9986 37.32771 23.94820       54.89698 
1 1 1 6   13  28 o 83.59128 29.07744 174.4469       142.3165 72.44834       182.9221 330.8760       226.5311 74.92426 31.09347 109.1708 36.71982 -34.24657      48.11599 
1 1 1 6   13  29 o 178.9829 24.06389 838.4413       200.7016 1054.334       325.6805 706.2504       254.8436 190.7069 37.05597 156.8394 34.88764 33.86749       50.89492 
1 1 1 6   13  30 o 129.7833 26.42585 459.3414       158.3881 532.3557       174.2519 112.2288       379.9344 139.5511 27.09488 95.50172 42.23465 44.04938       50.17866 
1 1 1 6   13  31 o 184.3436 18.64757 869.4723       162.0882 1049.763       209.7816 602.4017       255.3255 199.9886 22.32099 139.5373 37.48136 60.45131       43.62429 
1 1 1 6   13  32 o 183.2394 19.03807 866.6920       164.3542 814.6019       213.0818 943.1984       258.2366 171.6780 26.83933 181.1416 30.92832 -9.463547      40.95010 
1 1 1 6   13  33 o 145.2685 29.11729 618.3328       195.1742 837.0368       307.6576 471.0368       252.4844 155.5058 40.85851 117.1144 38.75249 38.39140       56.31318 
1 1 1 6   13  34 o 126.2621 26.48561 467.6203       154.7676 389.4603       198.9008 587.5654       246.3970 107.5881 34.30775 128.9892 37.63527 -21.40102      50.92578 
1 1 1 6   13  35 o 159.5837 22.70133 716.8842       168.3207 796.8577       220.2883 604.6886       260.9193 160.1032 29.87815 125.7261 39.18940 34.37715       49.27994 
1 1 1 6   13  36 o 58.82261 27.49323 -38.65595      191.7630 -44.82219      322.9870 -35.29904      238.3114 69.63958 33.43739 63.78155 30.07371 5.858032       44.97207 
1 1 1 6   14  0  o 140.9899 7.783218 477.7299       52.25975 357.7831       83.43008 555.1823       67.04179 120.9650 14.72960 151.8646 9.278082 -30.89964      17.40816 
1 1 1 6   14  1  o 243.9638 6.682872 1426.229       77.87312 1456.424       123.6677 1406.389       100.2433 246.0929 10.53549 242.0568 8.676264 4.036118       13.64823 
1 1 1 6   14  2  o 378.5409 7.989532 3433.548       144.5914 0.000000       0.000000 3433.548       144.5914 ?        ?        378.5409 7.989532 0.000000       7.989532 
1 1 1 6   14  3  o 274.2277 8.443536 1804.112       110.5672 0.000000       0.000000 1804.112       110.5672 ?        ?        274.2277 8.443536 0.000000       8.443536 
1 1 1 6   14  4  o 82.15543 12.39399 165.8449       47.16742 0.000000       0.000000 165.8449       47.16742 ?        ?        82.15543 12.39399 0.000000       12.39399 
1 1 1 6   14  5  o 158.4351 10.19925 604.8624       76.84483 0.000000       0.000000 604.8624       76.84483 ?        ?        158.4351 10.19925 0.000000       10.19925 
1 1 1 6   14  6  o 126.7641 10.61533 388.4510       63.74340 0.000000       0.000000 388.4510       63.74340 ?        ?        126.7641 10.61533 0.000000       10.61533 
1 1 1 6   14  7  f 98.93198 11.96831 238.6545       55.45864 0.000000       0.000000 238.6545       55.45864 ?        ?        98.93198 11.96831 0.000000       11.96831 
1 1 1 6   14  8  o 103.8176 11.62399 262.2410       56.70519 0.000000       0.000000 262.2410       56.70519 ?        ?        103.8176 11.62399 0.000000       11.62399 
1 1 1 6   14  9  o 325.9789 13.95409 2565.590       216.9669 0.000000       0.000000 2565.590       216.9669 ?        ?        325.9789 13.95409 0.000000       13.95409 
1 1 1 6   14  10 o 539.4552 9.346476 6983.350       241.0525 6578.084       679.9716 7041.602       257.7951 515.2359 27.70617 541.5599 9.956801 -26.32397      29.44096 
1 1 1 6   14  11 f 330.3640 7.630436 2615.991       120.5176 2514.301       198.3515 2675.502       151.7383 322.8254 12.87750 333.7162 9.520366 -10.89087      16.01460 
1 1 1 6   14  12 o 246.7359 10.11374 1464.996       119.0504 1469.721       144.1533 1454.860       211.1288 246.7514 12.25797 244.0721 18.22500 2.679382       21.96380 
1 1 1 6   14  13 o 165.9511 12.53750 667.4297       98.73589 776.9783       129.5423 515.5670       152.5225 178.5595 15.32271 143.2245 23.05709 35.33493       27.68420 
1 1 1 6   14  14 o 287.3481 11.58565 1991.837       158.8348 2165.004       202.3255 1713.698       256.4177 298.9291 14.19767 263.9117 20.48293 35.01746       24.92237 
1 1 1 6   14  15 o 257.1959 13.24324 1602.116       162.2938 1929.089       225.1202 1248.285       234.1841 281.2058 16.82177 224.2308 22.13342 56.97498       27.80036 
1 1 1 6   14  16 o 207.3020 14.40885 1045.908       141.9154 1230.770       210.7245 892.4713       191.9800 223.2211 19.95591 189.2660 21.60298 33.95515       29.40964 
1 1 1 6   14  17 o 245.2316 13.00384 1458.323       151.9152 1523.475       205.0475 1379.046       226.1857 249.3176 17.31006 236.0752 20.23539 13.24240       26.62910 
1 1 1 6   14  18 o 72.18020 24.73104 121.3788       102.8034 131.8005       151.4838 112.4811       139.9699 79.72083 29.69619 75.44537 28.45310 4.275459       41.12715 
1 1 1 6   14  19 o 102.2273 23.02712 269.3925       109.8306 296.4305       161.2034 245.9684       150.0441 106.1591 30.28098 97.50430 29.59818 8.654778       42.34372 
1 1 1 6   14  20 o 291.2350 14.26213 2065.213       197.9765 2250.640       273.5595 1861.292       286.8771 301.9380 19.04778 272.9256 22.17679 29.01248       29.23402 
1 1 1 6   14  21 o 98.57833 26.16110 254.5469       125.3248 285.5125       138.6080 115.8213       293.3779 104.0959 27.46008 94.16135 39.25180 9.934570       47.90364 
1 1 1 6   14  22 o 227.5746 14.85911 1267.707       160.7842 1291.447       212.7144 1236.065       245.5758 227.7025 19.73448 220.8346 23.62675 6.867844       30.78430 
1 1 1 6   14  23 o 161.8670 17.52799 651.9694       133.4816 720.8759       169.8247 540.5914       215.9090 168.6807 21.54998 140.7502 32.71008 27.93054       39.17079 
1 1 1 6   14  24 o 251.5036 15.26357 1554.540       182.6667 1494.387       239.8116 1637.677       281.9281 243.7654 20.77516 253.5287 23.52808 -9.763351      31.38754 
1 1 1 6   14  25 o 112.2242 35.08394 348.8699       208.9527 322.5664       256.6918 400.5330       359.7455 109.6086 38.97491 120.7939 45.60207 -11.18530      59.98827 
1 1 1 6   14  26 o 65.96886 28.65572 3.773772       168.0240 -441.1145      259.1280 326.5295       220.7120 56.98555 27.94244 108.9964 36.23785 -52.01081      45.75983 
1 1 1 6   14  27 o 170.7267 22.28631 749.5887       177.5681 789.4753       197.9638 585.3889       401.6600 174.0693 24.46185 136.3357 48.72395 37.73355       54.51978 
1 1 1 6   14  28 o 182.6672 19.50620 849.0049       167.7166 1134.487       215.9485 415.0501       266.2459 209.8803 21.84046 117.9434 39.80909 91.93687       45.40671 
1 1 1 6   14  29 o 197.9525 21.19329 1013.172       197.4529 1068.120       289.0239 965.0814       270.3878 194.3711 32.23087 185.0576 31.70107 9.313583       45.20826 
1 1 1 6   14  30 o 63.40490 26.01122 59.59941       126.0498 -6.225445      150.5596 213.8645       230.4874 60.37598 26.64887 91.78625 36.00964 -31.41027      44.79796 
1 1 1 6   14  31 o 98.91879 36.10224 289.0955       221.9559 134.6865       265.7839 644.9449       403.4833 85.84668 36.64787 130.6024 48.50063 -44.75572      60.78961 
1 1 1 6   14  32 o 143.0600 25.79847 576.6390       169.9594 687.3338       187.9260 79.35199       398.3152 156.1831 26.08724 88.34148 40.70986 67.84160       48.35118 
1 1 1 6   14  33 o 46.06096 22.67174 -283.0995      175.8530 -234.0936      278.7026 -315.5153      226.6709 62.53196 30.28017 52.83540 25.95329 9.696564       39.88060 
1 1 1 6   14  34 o 67.43809 27.55155 103.4153       140.6902 -19.69997      174.6871 330.6991       237.3500 59.76840 27.32589 95.66918 36.81610 -35.90078      45.84899 
1 1 1 6   14  35 o 54.71540 24.89573 -8.686599      142.7800 56.39856       178.3001 -125.0267      238.3830 64.42088 28.68601 59.70193 28.68151 4.718952       40.56496 
1 1 1 6   14  36 o 90.57896 33.97747 332.4167       199.0143 576.4473       319.2487 177.3087       254.5212 102.1467 41.58902 75.09628 33.79234 27.05038       53.58702 
1 1 1 6   15  0  o 355.1427 7.344062 3022.979       124.6946 3278.679       177.8421 2775.711       174.8847 369.2904 10.08242 339.6210 10.78449 29.66937       14.76348 
1 1 1 6   15  1  o 80.40987 12.09284 159.0431       45.05046 140.2658       64.39372 177.0447       63.04950 74.54718 18.22338 84.14422 16.26138 -9.597038      24.42384 
1 1 1 6   15  2  o 212.8773 9.283638 1089.770       94.25633 0.000000       0.000000 1089.770       94.25633 ?        ?        212.8773 9.283638 0.000000       9.283638 
1 1 1 6   15  3  o 280.5464 9.215045 1891.036       123.4300 0.000000       0.000000 1891.036       123.4300 ?        ?        280.5464 9.215045 0.000000       9.215045 
1 1 1 6   15  4  o 135.1257 10.69057 441.5406       68.50089 0.000000       0.000000 441.5406       68.50089 ?        ?        135.1257 10.69057 0.000000       10.69057 
1 1 1 6   15  5  o 286.0679 9.220089 1966.223       125.9346 0.000000       0.000000 1966.223       125.9346 ?        ?        286.0679 9.220089 0.000000       9.220089 
1 1 1 6   15  6  o 168.5802 10.08562 685.1239       80.91467 0.000000       0.000000 685.1239       80.91467 ?        ?        168.5802 10.08562 0.000000       10.08562 
1 1 1 6   15  7  o 512.1214 9.812513 6299.542       240.2490 0.000000       0.000000 6299.542       240.2490 ?        ?        512.1214 9.812513 0.000000       9.812513 
1 1 1 6   15  8  o 165.9262 10.37978 664.3135       81.92765 0.000000       0.000000 664.3135       81.92765 ?        ?        165.9262 10.37978 0.000000       10.37978 
1 1 1 6   15  9  o 204.0502 10.86730 1004.352       105.6326 0.000000       0.000000 1004.352       105.6326 ?        ?        204.0502 10.86730 0.000000       10.86730 
1 1 1 6   15  10 o 25.45076 11.70107 -24.44310      32.63881 0.000000       0.000000 -24.44310      32.63881 ?        ?        25.45076 11.70107 0.000000       11.70107 
1 1 1 6   15  11 o 30.24356 13.75651 -26.56312      43.55079 26.59355       62.23095 -77.58527      60.96870 46.34441 18.54088 31.21842 14.86268 15.12600       23.76265 
1 1 1 6   15  12 f 283.7153 7.784935 1932.731       105.4959 1885.875       182.2002 1956.362       129.3920 278.9575 13.70357 285.1371 9.505013 -6.179688      16.67732 
1 1 1 6   15  13 o 341.7748 14.39310 2834.203       234.6549 3055.250       326.3503 2597.595       337.6419 352.7633 19.42549 324.0104 21.92574 28.75290       29.29314 
1 1 1 6   15  14 o 67.61354 25.13907 91.08482       108.4609 67.03102       128.5828 150.4091       201.9330 67.34366 26.74709 88.34287 33.96831 -20.99921      43.23485 
1 1 1 6   15  15 o 351.8323 14.98304 3010.818       251.4481 3337.689       347.8356 2653.035       363.9117 368.1262 19.83700 326.1374 23.49676 41.98880       30.75068 
1 1 1 6   15  16 o 67.50413 25.13664 91.06724       108.5189 186.2408       181.5913 38.19704       135.3451 90.47499 32.70777 64.71779 26.79175 25.75720       42.27997 
1 1 1 6   15  17 o 235.0890 13.48295 1343.495       150.9039 1347.077       205.4074 1339.294       222.4280 233.6916 18.53680 232.3350 20.22610 1.356537       27.43553 
1 1 1 6   15  18 o 149.5402 18.27416 556.1949       127.9372 477.6255       149.5447 770.6860       247.0864 136.5930 23.76239 170.8255 31.41149 -34.23250      39.38697 
1 1 1 6   15  19 o 110.0912 22.60519 312.0956       114.9917 281.7917       165.6968 340.2505       159.7137 103.3901 31.04304 113.1849 29.29172 -9.794853      42.68108 
1 1 1 6   15  20 o 63.39674 24.87809 65.89114       110.0364 58.22072       159.8825 72.79399       151.6720 71.00716 29.22996 71.40569 28.81365 -0.3985291     41.04409 
1 1 1 6   15  21 o 204.8906 16.78532 1036.848       162.9820 1135.248       194.4064 804.1102       298.9827 213.3935 19.26272 169.5612 37.84225 43.83231       42.46278 
1 1 1 6   15  22 o 172.0675 16.80669 734.5458       136.4971 801.7520       175.1357 630.5558       217.8542 178.0998 20.96996 152.9562 30.85700 25.14352       37.30809 
1 1 1 6   15  23 o 149.7292 28.86559 599.3169       199.1405 825.2805       245.0838 160.2473       341.6347 175.4400 30.31589 100.2771 42.11728 75.16290       51.89333 
1 1 1 6   15  24 o 151.9564 23.95459 598.8227       168.2698 618.9647       253.3671 582.9276       225.0760 147.8251 36.15474 145.0579 33.17733 2.767197       49.07037 
1 1 1 6   15  25 o 487.1039 12.17518 5771.083       283.5342 5891.318       360.3666 5575.703       459.3760 489.3941 15.42126 471.0949 20.44498 18.29919       25.60884 
1 1 1 6   15  26 o 91.68925 27.82730 225.5835       132.6360 184.0537       162.6118 308.1350       229.2635 86.17213 30.97744 105.7602 36.89855 -19.58804      48.17785 
1 1 1 6   15  27 o 232.4017 16.83281 1352.314       185.7595 1360.034       237.8921 1340.254       297.3528 229.5153 21.94704 222.2869 28.64535 7.228363       36.08640 
1 1 1 6   15  28 o 311.3983 18.14351 2451.108       268.9433 3222.845       352.4328 1375.127       416.1441 354.1003 20.91123 208.2331 43.21758 145.8672       48.01081 
1 1 1 6   15  29 o 167.8651 20.18719 731.0054       158.7636 947.7678       203.5015 393.8853       253.7861 189.3282 22.95049 112.4758 38.84511 76.85242       45.11837 
1 1 1 6   15  30 o 107.6066 28.56541 333.6458       149.3914 547.6534       186.2918 -51.93910      250.0571 138.2843 29.10089 70.93695 32.52998 67.34740       43.64701 
1 1 1 6   15  31 o 85.73022 33.18472 206.4848       193.6547 651.8817       307.2130 -87.18629      249.4575 132.7644 42.66890 67.19057 31.38900 65.57387       52.97079 
1 1 1 6   15  32 o 98.41226 32.50581 315.3047       177.6712 381.4288       196.8373 24.50085       412.7883 106.5503 34.14551 83.10644 39.30449 23.44387       52.06494 
1 1 1 6   15  33 o 64.28261 30.27932 -74.72758      240.4819 84.16259       296.3401 -381.1671      411.5421 77.56952 35.51211 68.59513 33.93432 8.974388       49.11871 
1 1 1 6   15  34 o 86.42923 29.12811 248.6357       142.5424 178.3844       174.3219 390.3855       247.6202 76.04867 30.81706 96.94998 37.52551 -20.90131      48.55775 
1 1 1 6   15  35 o 150.4164 23.51640 681.0927       163.5780 585.0023       202.6007 861.0292       277.2431 125.4898 33.24413 141.9357 39.44289 -16.44598      51.58405 
1 1 1 6   16  0  o 291.7247 7.495687 2042.471       104.4559 1908.255       147.9554 2175.846       147.4916 281.3145 11.02229 300.5851 10.27853 -19.27063      15.07113 
1 1 1 6   16  1  o 288.8326 9.824615 2007.873       135.4682 1848.429       230.5855 2091.911       167.4046 275.0248 17.62970 294.3534 11.92036 -19.32855      21.28147 
1 1 1 6   16  2  o 313.7994 12.95249 2381.096       193.9006 0.000000       0.000000 2381.096       193.9006 ?        ?        313.7994 12.95249 0.000000       12.95249 
1 1 1 6   16  3  f 101.1188 14.43810 252.2190       67.81965 0.000000       0.000000 252.2190       67.81965 ?        ?        101.1188 14.43810 0.000000       14.43810 
1 1 1 6   16  4  o 106.0586 13.78286 276.3134       68.23510 0.000000       0.000000 276.3134       68.23510 ?        ?        106.0586 13.78286 0.000000       13.78286 
1 1 1 6   16  5  o 296.3753 9.314357 2112.697       131.8147 0.000000       0.000000 2112.697       131.8147 ?        ?        296.3753 9.314357 0.000000       9.314357 
1 1 1 6   16  6  o 219.7343 11.41867 1166.381       119.5444 0.000000       0.000000 1166.381       119.5444 ?        ?        219.7343 11.41867 0.000000       11.41867 
1 1 1 6   16  7  o 425.4921 16.06141 4402.673       326.1393 0.000000       0.000000 4402.673       326.1393 ?        ?        425.4921 16.06141 0.000000       16.06141 
1 1 1 6   16  8  o 202.6771 11.07524 992.4218       106.9085 0.000000       0.000000 992.4218       106.9085 ?        ?        202.6771 11.07524 0.000000       11.07524 
1 1 1 6   16  9  o 220.1592 9.539466 1167.612       100.1699 0.000000       0.000000 1167.612       100.1699 ?        ?        220.1592 9.539466 0.000000       9.539466 
1 1 1 6   16  10 o 344.4019 12.02617 2865.905       197.7126 0.000000       0.000000 2865.905       197.7126 ?        ?        344.4019 12.02617 0.000000       12.02617 
1 1 1 6   16  11 o 53.15324 16.47639 68.61987       46.19130 0.000000       0.000000 68.61987       46.19130 ?        ?        53.15324 16.47639 0.000000       16.47639 
1 1 1 6   16  12 o 59.84104 18.76871 87.11261       59.75020 -138.2250      120.3553 160.8141       68.83138 44.47325 21.08918 79.54308 18.45715 -35.06983      28.02534 
1 1 1 6   16  13 o 238.5359 10.08477 1372.478       114.7485 1440.333       197.3014 1337.794       141.0585 242.3548 17.13881 234.9034 12.60652 7.451401       21.27588 
1 1 1 6   16  14 o 27.86066 13.99453 -242.8317      82.34439 -394.7455      119.7922 -106.7517      113.3775 32.08690 16.21249 44.94302 21.04946 -12.85612      26.56924 
1 1 1 6   16  15 o 169.0331 13.39170 696.6490       107.3383 862.2665       137.1310 434.6609       172.4739 187.6016 15.42555 128.5087 28.78852 59.09296       32.66078 
1 1 1 6   16  16 o 161.1848 17.28919 642.8449       131.1519 776.3125       155.2221 309.7928       245.2007 176.8327 18.64053 110.0343 38.17332 66.79840       42.48143 
1 1 1 6   16  17 o 207.0013 13.97315 1045.725       137.4749 1292.020       183.8909 733.6667       206.9901 229.1481 16.90457 168.5475 26.56598 60.60057       31.48834 
1 1 1 6   16  18 o 66.62425 23.39592 100.9082       92.26464 126.7195       118.0688 60.42439       147.8671 74.45555 26.43730 69.23388 28.26060 5.221672       38.69873 
1 1 1 6   16  19 o 80.62331 26.19776 163.0683       115.6112 188.2140       128.9499 60.03796       261.0185 85.96676 27.64554 85.24674 36.35259 0.7200165      45.67042 
1 1 1 6   16  20 o 66.75236 26.19785 76.41807       122.0325 169.2168       190.2249 11.51813       159.0811 87.70849 33.14959 65.48671 28.16188 22.22178       43.49697 
1 1 1 6   16  21 o 172.8953 19.44794 751.5607       157.9706 686.0165       187.7538 910.4099       292.2900 162.5803 24.95097 181.5540 34.94248 -18.97377      42.93632 
1 1 1 6   16  22 o 78.64263 27.89158 146.9813       131.3821 6.206428       178.1789 314.7207       194.4962 68.07221 29.53960 107.3598 33.88866 -39.28756      44.95586 
1 1 1 6   16  23 o 233.6513 16.70496 1352.993       185.3733 1433.879       215.7873 1125.180       362.1409 239.3336 19.01498 197.6600 39.70205 41.67363       44.02071 
1 1 1 6   16  24 o 225.7367 17.23206 1269.470       184.5665 1272.410       248.1134 1265.828       276.1676 222.0782 23.73641 219.2801 26.90625 2.798141       35.87984 
1 1 1 6   16  25 o 125.7446 26.87259 428.9787       156.6486 352.1120       171.7961 808.1084       381.5381 111.9247 31.02833 156.7506 47.11537 -44.82586      56.41468 
1 1 1 6   16  26 o 112.0360 25.69172 341.9365       134.6742 374.8465       163.7491 273.1432       236.7490 115.4452 29.54766 99.92831 37.14367 15.51685       47.46279 
1 1 1 6   16  27 o 188.2681 18.39147 903.6158       163.4308 1042.890       205.5088 663.9936       269.5624 199.8967 21.85983 146.5881 38.11379 53.30858       43.93761 
1 1 1 6   16  28 o 134.2763 35.36750 549.4512       230.1548 680.1089       282.6622 292.4164       396.4571 145.8157 39.55313 105.0315 44.79620 40.78423       59.75910 
1 1 1 6   16  29 o 100.8920 28.59122 296.1185       144.1834 273.1158       177.5957 340.5966       246.9538 95.81377 32.51198 103.7298 38.04537 -7.916061      50.04477 
1 1 1 6   16  30 o 63.93451 26.91173 61.91476       139.9631 129.7095       173.2386 -65.51591      237.5109 75.16956 30.62470 66.55219 30.93538 8.617363       43.53011 
1 1 1 6   16  31 o 61.26223 28.20648 -37.57529      190.6280 -208.8551      293.0123 88.12123       251.0120 64.71715 31.26779 76.11942 33.95662 -11.40227      46.15979 
1 1 1 6   16  32 o 50.66806 23.73496 -76.73784      144.2581 4.284109       175.7573 -244.0062      252.5334 61.44345 27.82404 57.84743 28.19660 3.596012       39.61345 
1 1 1 6   16  33 o 61.81076 29.64331 -100.9733      252.1656 -66.56766      310.5338 -167.5849      432.0844 67.87994 32.64259 71.54256 35.27626 -3.662628      48.06198 
1 1 1 6   16  34 o 83.14110 31.95640 261.4040       178.6750 200.1620       195.4506 572.9202       440.8111 75.93839 31.87321 92.53623 42.70865 -16.59784      53.29100 
1 1 1 6   17  0  o 353.6868 8.102704 3003.323       137.0116 2389.737       297.0319 3169.160       154.4209 311.4637 20.05402 363.1594 8.894070 -51.69574      21.93782 
1 1 1 6   17  1  o 229.4486 11.14559 1271.704       121.8978 0.000000       0.000000 1271.704       121.8978 ?        ?        229.4486 11.14559 0.000000       11.14559 
1 1 1 6   17  2  o 351.8356 10.56627 2983.458       177.5323 0.000000       0.000000 2983.458       177.5323 ?        ?        351.8356 10.56627 0.000000       10.56627 
1 1 1 6   17  3  o 296.6113 9.373773 2117.330       132.7593 0.000000       0.000000 2117.330       132.7593 ?        ?        296.6113 9.373773 0.000000       9.373773 
1 1 1 6   17  4  o 123.5908 11.65561 371.5938       68.05656 0.000000       0.000000 371.5938       68.05656 ?        ?        123.5908 11.65561 0.000000       11.65561 
1 1 1 6   17  5  o 40.41734 14.73219 32.41958       36.94298 0.000000       0.000000 32.41958       36.94298 ?        ?        40.41734 14.73219 0.000000       14.73219 
1 1 1 6   17  6  o 353.6951 11.85682 3022.245       200.2126 0.000000       0.000000 3022.245       200.2126 ?        ?        353.6951 11.85682 0.000000       11.85682 
1 1 1 6   17  7  o 79.32693 16.52909 158.7208       60.65038 0.000000       0.000000 158.7208       60.65038 ?        ?        79.32693 16.52909 0.000000       16.52909 
1 1 1 6   17  8  o 64.48471 14.60769 104.8064       43.98691 0.000000       0.000000 104.8064       43.98691 ?        ?        64.48471 14.60769 0.000000       14.60769 
1 1 1 6   17  9  o 59.95313 15.52078 90.65731       44.83133 0.000000       0.000000 90.65731       44.83133 ?        ?        59.95313 15.52078 0.000000       15.52078 
1 1 1 6   17  10 o 437.3991 8.777445 4599.430       183.5500 0.000000       0.000000 4599.430       183.5500 ?        ?        437.3991 8.777445 0.000000       8.777445 
1 1 1 6   17  11 o 187.7170 12.27777 855.5334       109.5826 0.000000       0.000000 855.5334       109.5826 ?        ?        187.7170 12.27777 0.000000       12.27777 
1 1 1 6   17  12 o 317.0620 9.694181 2423.014       146.7754 0.000000       0.000000 2423.014       146.7754 ?        ?        317.0620 9.694181 0.000000       9.694181 
1 1 1 6   17  13 o 269.6879 10.22681 1755.775       131.6201 1986.253       226.1425 1637.703       161.8601 284.6073 16.69317 259.6369 13.08177 24.97040       21.20836 
1 1 1 6   17  14 o 170.6794 9.750628 704.1819       79.23393 704.3085       132.9521 704.1122       98.67053 168.9168 16.68069 170.1377 12.21172 -1.220932      20.67296 
1 1 1 6   17  15 o 177.1501 9.565109 758.4101       80.70975 683.0177       137.2553 798.2570       99.78437 165.9283 17.56873 181.3088 11.57199 -15.38051      21.03737 
1 1 1 6   17  16 o 253.2047 12.25922 1557.543       147.9621 1715.250       187.3753 1296.309       241.1577 264.7634 14.86254 226.5935 22.56046 38.16988       27.01610 
1 1 1 6   17  17 o 192.1615 14.87178 906.8697       135.5647 928.9453       156.0314 838.8904       273.8068 193.7121 17.02082 175.5563 33.84961 18.15585       37.88805 
1 1 1 6   17  18 o 37.35625 17.26127 -54.70751      72.31018 -154.9764      81.76276 305.2807       154.9233 32.16898 15.75765 106.5517 29.43709 -74.38274      33.38931 
1 1 1 6   17  19 o 342.5300 15.41600 2880.887       251.8050 3324.019       348.0669 2394.314       364.7292 364.7076 20.03926 305.5041 25.19530 59.20346       32.19278 
1 1 1 6   17  20 o 156.0195 16.67330 605.5876       122.4424 530.9939       158.2374 716.8972       193.2966 143.0492 23.98568 166.0952 25.12648 -23.04596      34.73691 
1 1 1 6   17  21 o 209.2776 16.87049 1087.202       167.3654 1189.837       248.3262 1001.778       226.5505 214.6785 24.64119 196.8204 24.61268 17.85803       34.82775 
1 1 1 6   17  22 o 85.73713 28.82505 188.9515       139.5949 445.8309       211.9009 -8.006578      185.5475 125.4163 34.34015 67.64316 29.73024 57.77312       45.42173 
1 1 1 6   17  23 o 129.6011 24.60789 446.4519       146.8978 228.2286       195.5541 729.0659       222.5426 93.73677 33.93439 163.2198 29.60892 -69.48303      45.03589 
1 1 1 6   17  24 o 174.5273 16.38271 763.8253       135.0982 728.7817       161.3015 846.1768       247.2696 168.2920 20.46821 174.3224 30.79530 -6.030441      36.97699 
1 1 1 6   17  25 o 116.5210 27.81950 378.4914       152.8267 464.0138       167.2683 -53.60866      375.9809 129.2962 27.88062 85.80093 39.54378 43.49532       48.38429 
1 1 1 6   17  26 o 170.5661 19.44298 749.8750       155.7213 766.4632       193.0993 719.0234       263.3417 168.9429 24.63191 153.9152 36.36833 15.02766       43.92478 
1 1 1 6   17  27 o 175.0343 19.42702 794.6210       159.8343 818.4547       198.0547 750.1079       270.6656 173.8432 24.50905 154.9896 37.03463 18.85364       44.41010 
1 1 1 6   17  28 o 187.1243 27.26020 993.9399       236.7122 1114.610       286.3546 733.5458       420.6487 192.5919 32.23826 130.8276 49.32866 61.76430       58.92896 
1 1 1 6   17  29 o 147.5741 22.70248 602.3179       155.0485 577.2472       191.8275 649.5598       263.3246 137.6667 29.99561 135.4783 38.72025 2.188385       48.97953 
1 1 1 6   17  30 o 84.74274 29.52612 221.4326       146.7739 394.4192       181.3438 -107.1036      249.9126 109.2570 32.39732 64.15871 30.41385 45.09829       44.43635 
1 1 1 6   17  31 o 174.1686 26.05889 904.6457       210.3286 991.7443       315.8311 835.2349       281.9441 158.5500 41.27095 147.9180 39.23174 10.63203       56.94226 
1 1 1 6   17  32 o 47.46824 22.72714 -114.4167      146.8732 -138.7079      176.2677 -59.25009      265.6357 50.74384 24.45057 64.27239 30.71629 -13.52855      39.25965 
1 1 1 6   18  0  o 197.1943 8.759112 936.8103       82.37165 968.7411       135.4484 918.0706       103.7649 199.2626 14.31340 194.7295 11.19293 4.533081       18.17017 
1 1 1 6   18  1  o 48.57296 18.38687 42.52942       58.57615 0.000000       0.000000 42.52942       58.57615 ?        ?        48.57296 18.38687 0.000000       18.38687 
1 1 1 6   18  2  o 27.57424 12.54133 -21.95334      36.18734 0.000000       0.000000 -21.95334      36.18734 ?        ?        27.57424 12.54133 0.000000       12.54133 
1 1 1 6   18  3  o 257.5640 9.592617 1599.101       117.9155 0.000000       0.000000 1599.101       117.9155 ?        ?        257.5640 9.592617 0.000000       9.592617 
1 1 1 6   18  4  o 181.0701 10.81867 793.5121       93.22752 0.000000       0.000000 793.5121       93.22752 ?        ?        181.0701 10.81867 0.000000       10.81867 
1 1 1 6   18  5  o 154.1373 10.47931 575.3183       76.76418 0.000000       0.000000 575.3183       76.76418 ?        ?        154.1373 10.47931 0.000000       10.47931 
1 1 1 6   18  6  o 193.8675 10.12962 908.0667       93.56152 0.000000       0.000000 908.0667       93.56152 ?        ?        193.8675 10.12962 0.000000       10.12962 
1 1 1 6   18  7  o 169.9689 12.04428 701.9412       97.23807 0.000000       0.000000 701.9412       97.23807 ?        ?        169.9689 12.04428 0.000000       12.04428 
1 1 1 6   18  8  o 230.2075 11.15420 1282.547       122.3973 0.000000       0.000000 1282.547       122.3973 ?        ?        230.2075 11.15420 0.000000       11.15420 
1 1 1 6   18  9  o 174.9228 10.39585 740.5312       86.54691 0.000000       0.000000 740.5312       86.54691 ?        ?        174.9228 10.39585 0.000000       10.39585 
1 1 1 6   18  10 o 265.6915 12.07095 1711.880       152.9297 0.000000       0.000000 1711.880       152.9297 ?        ?        265.6915 12.07095 0.000000       12.07095 
1 1 1 6   18  11 o 55.42729 19.64974 67.07018       65.20245 0.000000       0.000000 67.07018       65.20245 ?        ?        55.42729 19.64974 0.000000       19.64974 
1 1 1 6   18  12 o 151.9766 12.42773 563.4767       89.50990 0.000000       0.000000 563.4767       89.50990 ?        ?        151.9766 12.42773 0.000000       12.42773 
1 1 1 6   18  13 o 209.6306 10.86862 1064.929       108.5555 0.000000       0.000000 1064.929       108.5555 ?        ?        209.6306 10.86862 0.000000       10.86862 
1 1 1 6   18  14 o 85.97227 12.45977 182.8915       49.72167 270.4113       91.23812 145.9187       59.30131 103.0117 19.23314 75.67629 16.82610 27.33543       25.55448 
1 1 1 6   18  15 o 39.56488 15.29845 25.39276       41.12451 161.6226       84.37645 -17.05169      47.09726 79.07185 21.67693 33.07498 14.73464 45.99687       26.21066 
1 1 1 6   18  16 o 277.9945 8.485551 1862.773       112.6460 2048.838       200.4856 1776.935       136.1728 289.2806 14.54289 270.8999 10.53420 18.38071       17.95731 
1 1 1 6   18  17 o 93.28757 20.02121 224.3177       86.62165 239.7276       101.6415 183.4274       165.5702 95.82092 22.56290 87.30333 31.27322 8.517586       38.56292 
1 1 1 6   18  18 o 132.4460 17.76878 440.7025       109.6776 429.0132       118.8979 507.4215       284.0576 129.9248 19.76348 132.0406 40.84685 -2.115799      45.37687 
1 1 1 6   18  19 o 221.1113 13.85714 1199.278       145.7485 1227.983       185.4322 1152.882       235.7493 222.0361 17.61260 211.7124 23.69750 10.32365       29.52584 
1 1 1 6   18  20 o 172.8725 16.31136 744.5649       133.2170 666.6260       147.6620 1085.473       308.8234 162.1268 19.43751 197.3375 33.95805 -35.21074      39.12756 
1 1 1 6   18  21 o 75.81322 28.90002 125.4355       145.3317 203.4305       234.1069 76.53039       185.3779 93.00256 36.34882 74.90089 31.21052 18.10167       47.90963 
1 1 1 6   18  22 o 247.2811 17.98677 1540.951       211.1898 1608.080       269.8241 1434.793       339.3117 248.7193 22.95016 226.4193 32.25680 22.29996       39.58802 
1 1 1 6   18  23 o 38.60204 19.17132 -303.6434      136.2655 -357.6758      194.0835 -251.1156      191.3623 48.05812 23.68621 52.06767 25.18357 -4.009552      34.57237 
1 1 1 6   18  24 o 161.6295 17.45615 664.2482       132.7519 742.5611       161.5064 501.1384       233.0845 169.2268 20.37161 127.9710 36.38163 41.25577       41.69683 
1 1 1 6   18  25 o 88.51285 27.59775 219.6182       129.3848 271.5800       158.2195 114.7269       224.7955 96.85500 30.56433 80.77498 34.05894 16.08002       45.76233 
1 1 1 6   18  26 o 97.27034 28.06937 276.2797       137.7477 195.3601       165.3349 459.9139       249.0661 83.98691 31.07319 116.9306 38.48045 -32.94372      49.45997 
1 1 1 6   18  27 o 131.7984 24.70406 491.0876       149.9457 436.5254       182.9433 602.7682       261.7338 117.9598 31.74495 130.7504 38.95869 -12.79050      50.25457 
1 1 1 6   18  28 o 81.88792 34.74042 173.3196       236.2589 266.9138       280.4276 -55.60028      438.5690 91.07407 38.19913 81.22564 38.99080 9.848427       54.58440 
1 1 1 6   18  29 o 75.24873 28.82187 162.2085       144.9965 268.1220       175.9096 -62.25490      256.0865 89.88494 32.23051 66.34039 31.24789 23.54455       44.89139 
1 1 1 6   18  30 o 130.0539 26.35802 520.7411       158.2677 447.2806       191.6060 678.4963       280.7849 111.2364 33.37808 125.0241 40.84124 -13.78770      52.74564 
1 1 1 6   18  31 o 59.80862 27.93726 -14.21406      197.5187 -436.7549      292.1509 341.5345       268.0677 53.59387 26.84072 87.71233 37.09898 -34.11847      45.79037 
1 1 1 6   19  0  o 183.7087 11.14258 818.1308       97.40403 0.000000       0.000000 818.1308       97.40403 ?        ?        183.7087 11.14258 0.000000       11.14258 
1 1 1 6   19  1  o 56.42252 20.72303 64.80312       73.30910 0.000000       0.000000 64.80312       73.30910 ?        ?        56.42252 20.72303 0.000000       20.72303 
1 1 1 6   19  2  o 239.7867 11.82890 1394.288       135.1871 0.000000       0.000000 1394.288       135.1871 ?        ?        239.7867 11.82890 0.000000       11.82890 
1 1 1 6   19  3  o 184.6443 12.16660 828.9059       106.8037 0.000000       0.000000 828.9059       106.8037 ?        ?        184.6443 12.16660 0.000000       12.16660 
1 1 1 6   19  4  o 152.6145 11.38608 566.1098       82.47784 0.000000       0.000000 566.1098       82.47784 ?        ?        152.6145 11.38608 0.000000       11.38608 
1 1 1 6   19  5  o 282.6511 12.06402 1937.808       162.6489 0.000000       0.000000 1937.808       162.6489 ?        ?        282.6511 12.06402 0.000000       12.06402 
1 1 1 6   19  6  o 249.4158 9.716779 1501.883       115.6440 0.000000       0.000000 1501.883       115.6440 ?        ?        249.4158 9.716779 0.000000       9.716779 
1 1 1 6   19  7  o 104.5124 12.66578 268.6010       61.99621 0.000000       0.000000 268.6010       61.99621 ?        ?        104.5124 12.66578 0.000000       12.66578 
1 1 1 6   19  8  o 79.67073 19.46994 163.0509       73.52155 0.000000       0.000000 163.0509       73.52155 ?        ?        79.67073 19.46994 0.000000       19.46994 
1 1 1 6   19  9  o 358.2700 14.60448 3134.719       249.6282 0.000000       0.000000 3134.719       249.6282 ?        ?        358.2700 14.60448 0.000000       14.60448 
1 1 1 6   19  10 o 418.8219 8.982862 4225.455       179.8674 0.000000       0.000000 4225.455       179.8674 ?        ?        418.8219 8.982862 0.000000       8.982862 
1 1 1 6   19  11 o 58.13127 16.53111 85.08925       48.11630 0.000000       0.000000 85.08925       48.11630 ?        ?        58.13127 16.53111 0.000000       16.53111 
1 1 1 6   19  12 o 71.45049 20.23492 130.4978       72.24281 0.000000       0.000000 130.4978       72.24281 ?        ?        71.45049 20.23492 0.000000       20.23492 
1 1 1 6   19  13 o 154.6517 13.16030 585.7592       96.38017 0.000000       0.000000 585.7592       96.38017 ?        ?        154.6517 13.16030 0.000000       13.16030 
1 1 1 6   19  14 o 140.5925 12.66111 484.1559       84.19176 0.000000       0.000000 484.1559       84.19176 ?        ?        140.5925 12.66111 0.000000       12.66111 
1 1 1 6   19  15 o 66.25964 21.99307 106.8219       81.30462 0.000000       0.000000 106.8219       81.30462 ?        ?        66.25964 21.99307 0.000000       21.99307 
1 1 1 6   19  16 o 236.2002 9.183989 1348.929       103.5122 1555.247       196.5900 1269.787       121.7574 250.5717 16.50233 228.5306 11.17795 22.04112       19.93172 
1 1 1 6   19  17 o 141.6189 10.85459 489.4374       72.93235 716.6696       124.2257 369.9192       90.09357 169.9064 15.46223 121.5056 15.88953 48.40078       22.17110 
1 1 1 6   19  18 o 102.7221 12.59709 261.3808       60.57117 215.0489       111.1995 280.9274       72.22665 89.53817 25.01622 105.9233 14.65472 -16.38514      28.99262 
1 1 1 6   19  19 o 103.4112 22.01190 282.6141       105.4838 278.5813       112.5753 311.6324       301.9778 102.0541 23.55118 106.9670 41.42994 -4.912888      47.65604 
1 1 1 6   19  20 o 59.50076 25.82219 7.268979       136.1780 -167.0668      218.1587 118.5633       174.3074 61.15533 28.81657 77.60762 31.03631 -16.45229      42.35147 
1 1 1 6   19  21 o 70.70089 30.29057 46.10850       182.7552 416.2006       223.6461 -697.7098      317.0589 117.4781 36.22709 56.54952 28.26739 60.92860       45.95048 
1 1 1 6   19  22 o 62.40479 26.70262 29.37676       141.6974 -26.89704      208.1202 78.00307       193.4625 67.86276 30.54556 74.73003 31.55768 -6.867264      43.91946 
1 1 1 6   19  23 o 151.9288 21.62494 611.7635       152.6439 720.6426       211.0687 492.3791       221.0169 159.5442 28.72798 125.9953 35.29223 33.54893       45.50647 
1 1 1 6   19  24 f 186.5632 18.29439 903.0338       161.0788 1070.042       179.0133 192.5939       369.2162 202.8764 18.66541 93.38894 41.45003 109.4874       45.45880 
1 1 1 6   19  25 f 177.0025 17.30931 813.7380       144.6062 883.1443       176.5948 672.4839       251.9295 181.4340 20.73038 141.6575 36.85329 39.77649       42.28373 
1 1 1 6   19  26 o 137.1592 20.68226 511.9631       131.4097 590.6537       154.0482 301.6871       251.8198 145.5890 22.88629 94.41452 37.45278 51.17447       43.89183 
1 1 1 6   19  27 o 110.2895 30.17842 389.2723       163.7141 453.9532       175.8848 -30.16274      447.8914 118.9260 30.71923 80.83922 38.95771 38.08677       49.61224 
1 1 1 6   19  28 o 161.1850 28.38721 812.5873       210.7664 1047.013       296.3208 572.5477       299.8480 168.3907 37.74323 111.7403 41.74894 56.65044       56.28077 
1 1 1 6   19  29 f 92.28577 30.34522 301.2026       154.8990 -32.52229      180.5734 1230.872       301.3866 57.21712 26.72190 182.6699 35.79090 -125.4527      44.66597 
1 1 1 6   20  0  o 276.0783 13.05586 1857.785       171.8359 0.000000       0.000000 1857.785       171.8359 ?        ?        276.0783 13.05586 0.000000       13.05586 
1 1 1 6   20  1  o 76.67415 17.14841 150.0642       61.28359 0.000000       0.000000 150.0642       61.28359 ?        ?        76.67415 17.14841 0.000000       17.14841 
1 1 1 6   20  2  o 191.6738 11.41200 892.5610       104.1028 0.000000       0.000000 892.5610       104.1028 ?        ?        191.6738 11.41200 0.000000       11.41200 
1 1 1 6   20  3  o 120.3392 12.03207 354.4430       68.29661 0.000000       0.000000 354.4430       68.29661 ?        ?        120.3392 12.03207 0.000000       12.03207 
1 1 1 6   20  4  o 181.7822 11.01506 802.1995       95.28045 0.000000       0.000000 802.1995       95.28045 ?        ?        181.7822 11.01506 0.000000       11.01506 
1 1 1 6   20  5  o 186.2915 12.53171 846.1646       110.9629 0.000000       0.000000 846.1646       110.9629 ?        ?        186.2915 12.53171 0.000000       12.53171 
1 1 1 6   20  6  o 114.6591 12.35521 322.5989       66.65997 0.000000       0.000000 322.5989       66.65997 ?        ?        114.6591 12.35521 0.000000       12.35521 
1 1 1 6   20  7  o 383.7499 9.544452 3553.185       175.1087 0.000000       0.000000 3553.185       175.1087 ?        ?        383.7499 9.544452 0.000000       9.544452 
1 1 1 6   20  8  o 230.0638 11.59633 1286.221       127.1377 0.000000       0.000000 1286.221       127.1377 ?        ?        230.0638 11.59633 0.000000       11.59633 
1 1 1 6   20  9  o 174.5846 11.18475 741.3555       92.86460 0.000000       0.000000 741.3555       92.86460 ?        ?        174.5846 11.18475 0.000000       11.18475 
1 1 1 6   20  10 o 132.7172 12.76336 432.4657       79.98692 0.000000       0.000000 432.4657       79.98692 ?        ?        132.7172 12.76336 0.000000       12.76336 
1 1 1 6   20  11 o 267.7356 10.14286 1736.733       129.5952 0.000000       0.000000 1736.733       129.5952 ?        ?        267.7356 10.14286 0.000000       10.14286 
1 1 1 6   20  12 o 79.38483 16.20676 160.7775       59.42632 0.000000       0.000000 160.7775       59.42632 ?        ?        79.38483 16.20676 0.000000       16.20676 
1 1 1 6   20  13 o 203.7663 12.03775 1014.547       116.7473 0.000000       0.000000 1014.547       116.7473 ?        ?        203.7663 12.03775 0.000000       12.03775 
1 1 1 6   20  14 o 40.34933 17.94640 -20.67411      69.57962 0.000000       0.000000 -20.67411      69.57962 ?        ?        40.34933 17.94640 0.000000       17.94640 
1 1 1 6   20  15 o 274.4662 10.39838 1830.869       136.1999 0.000000       0.000000 1830.869       136.1999 ?        ?        274.4662 10.39838 0.000000       10.39838 
1 1 1 6   20  16 o 152.9451 13.78827 579.2679       99.74025 0.000000       0.000000 579.2679       99.74025 ?        ?        152.9451 13.78827 0.000000       13.78827 
1 1 1 6   20  17 o 111.2565 14.11910 309.4700       73.41113 260.3797       174.3250 320.0523       80.93781 96.72465 32.20676 112.7084 15.42485 -15.98375      35.70996 
1 1 1 6   20  18 o 226.1993 12.50429 1257.876       134.6994 1442.247       308.9638 1214.608       149.6725 229.5085 28.78969 221.3721 14.21716 8.136398       32.10878 
1 1 1 6   20  19 o 118.1228 17.52886 357.6739       95.99293 323.0838       298.2615 361.6708       101.3874 105.5128 41.08842 118.3441 18.52697 -12.83131      45.07224 
1 1 1 6   20  20 o 65.71323 29.80808 -39.32890      202.7520 -298.3227      264.6934 328.3829       315.3931 61.04265 29.54709 104.6896 41.78796 -43.64698      51.17875 
1 1 1 6   20  21 o 155.7106 22.47963 652.2026       162.5069 784.7065       239.3989 538.9712       221.3050 162.4756 31.95865 131.2613 34.73165 31.21434       47.19791 
1 1 1 6   20  22 o 156.6745 27.90412 708.6324       201.3501 893.2324       244.9191 323.7213       353.6608 173.2715 30.68871 100.1789 42.50253 73.09264       52.42386 
1 1 1 6   20  23 o 119.0956 29.09197 428.8533       164.2004 997.4042       247.8175 -16.09257      219.2304 183.3706 29.24995 67.02647 30.63209 116.3441       42.35427 
1 1 1 6   20  24 o 122.4597 28.83336 456.8723       165.9961 578.1459       231.3110 328.0996       238.3555 129.9032 36.00070 97.23272 37.02397 32.67045       51.64131 
1 1 1 6   20  25 o 41.10062 19.78719 -131.9130      114.8627 -162.4370      119.9907 202.4809       397.1512 40.42036 19.64178 87.48724 40.43517 -47.06689      44.95334 
1 1 1 6   20  26 o 117.0774 23.82597 404.5967       128.8203 438.3661       146.9975 292.8218       267.4362 119.3145 26.46301 88.00977 37.13138 31.30475       45.59639 
1 1 1 6   20  27 o 193.6762 18.15974 1026.192       166.1877 846.6267       193.0794 1539.509       326.4505 167.1327 24.92476 208.9190 33.84028 -41.78636      42.02866 
1 1 1 6   21  0  o 55.72280 22.16112 47.67724       88.38323 0.000000       0.000000 47.67724       88.38323 ?        ?        55.72280 22.16112 0.000000       22.16112 
1 1 1 6   21  1  o 135.2260 12.57881 449.3919       80.38951 0.000000       0.000000 449.3919       80.38951 ?        ?        135.2260 12.57881 0.000000       12.57881 
1 1 1 6   21  2  o 121.1620 15.95255 367.7072       90.16424 0.000000       0.000000 367.7072       90.16424 ?        ?        121.1620 15.95255 0.000000       15.95255 
1 1 1 6   21  3  o 80.10559 19.77548 167.0022       75.27310 0.000000       0.000000 167.0022       75.27310 ?        ?        80.10559 19.77548 0.000000       19.77548 
1 1 1 6   21  4  o 202.3175 13.64396 1005.809       131.2003 0.000000       0.000000 1005.809       131.2003 ?        ?        202.3175 13.64396 0.000000       13.64396 
1 1 1 6   21  5  o 101.9470 16.42963 262.7867       77.35624 0.000000       0.000000 262.7867       77.35624 ?        ?        101.9470 16.42963 0.000000       16.42963 
1 1 1 6   21  6  o 109.5515 13.29929 297.4388       68.23048 0.000000       0.000000 297.4388       68.23048 ?        ?        109.5515 13.29929 0.000000       13.29929 
1 1 1 6   21  7  o 208.4853 10.58807 1056.997       105.1905 0.000000       0.000000 1056.997       105.1905 ?        ?        208.4853 10.58807 0.000000       10.58807 
1 1 1 6   21  8  o 161.6450 12.27667 640.7059       94.16537 0.000000       0.000000 640.7059       94.16537 ?        ?        161.6450 12.27667 0.000000       12.27667 
1 1 1 6   21  9  o 132.6147 14.07315 436.2735       87.86549 0.000000       0.000000 436.2735       87.86549 ?        ?        132.6147 14.07315 0.000000       14.07315 
1 1 1 6   21  10 o 28.40371 13.96457 -132.1998      66.09325 0.000000       0.000000 -132.1998      66.09325 ?        ?        28.40371 13.96457 0.000000       13.96457 
1 1 1 6   21  11 o 225.5043 14.20125 1255.581       152.3277 0.000000       0.000000 1255.581       152.3277 ?        ?        225.5043 14.20125 0.000000       14.20125 
1 1 1 6   21  12 o 111.2623 16.25234 313.1532       83.90057 0.000000       0.000000 313.1532       83.90057 ?        ?        111.2623 16.25234 0.000000       16.25234 
1 1 1 6   21  13 o 251.5204 11.76549 1547.656       141.0869 0.000000       0.000000 1547.656       141.0869 ?        ?        251.5204 11.76549 0.000000       11.76549 
1 1 1 6   21  14 o 149.3135 13.79883 553.5226       97.38914 0.000000       0.000000 553.5226       97.38914 ?        ?        149.3135 13.79883 0.000000       13.79883 
1 1 1 6   21  15 o 178.7407 14.06491 794.0099       119.2225 0.000000       0.000000 794.0099       119.2225 ?        ?        178.7407 14.06491 0.000000       14.06491 
1 1 1 6   21  16 o 157.4433 13.76932 617.6714       102.6022 0.000000       0.000000 617.6714       102.6022 ?        ?        157.4433 13.76932 0.000000       13.76932 
1 1 1 6   21  17 o 301.3669 11.28061 2230.729       162.2442 0.000000       0.000000 2230.729       162.2442 ?        ?        301.3669 11.28061 0.000000       11.28061 
1 1 1 6   21  18 o 219.2675 13.39172 1199.474       139.7150 0.000000       0.000000 1199.474       139.7150 ?        ?        219.2675 13.39172 0.000000       13.39172 
1 1 1 6   21  19 o 79.31407 23.03871 175.1806       92.51768 -222.3678      298.5741 217.4060       97.30708 66.58652 32.01732 88.24483 22.87700 -21.65830      39.35056 
1 1 1 6   21  20 o 78.33414 22.58424 171.6269       89.21049 256.6432       218.5300 154.6255       97.72432 91.19500 35.26476 74.50306 24.07632 16.69194       42.69979 
1 1 1 6   21  21 o 66.37518 22.69369 118.0981       86.55253 476.2605       190.4213 24.83371       97.17028 122.2029 32.16181 52.03810 22.18535 70.16476       39.07136 
1 1 1 6   21  22 o 54.86131 25.75144 -87.96053      171.2861 -66.54227      283.0039 -100.3420      215.1725 69.40742 32.74048 60.36644 28.49781 9.040981       43.40581 
1 1 1 6   21  23 o 54.48792 25.57125 -75.36259      168.7575 73.60381       245.2251 -209.3780      232.5938 72.45442 32.83249 56.40488 27.39485 16.04955       42.76038 
1 1 1 6   21  24 o 114.8645 32.20308 461.4244       183.9321 768.1808       259.9709 153.9664       260.2680 141.2830 37.76345 76.80006 34.39591 64.48290       51.07991 
1 1 1 6   22  0  o 285.3647 12.21402 2000.297       166.2499 0.000000       0.000000 2000.297       166.2499 ?        ?        285.3647 12.21402 0.000000       12.21402 
1 1 1 6   22  1  o 71.86484 17.49929 134.7269       59.55420 0.000000       0.000000 134.7269       59.55420 ?        ?        71.86484 17.49929 0.000000       17.49929 
1 1 1 6   22  2  o 154.9931 13.75270 596.6149       100.8512 0.000000       0.000000 596.6149       100.8512 ?        ?        154.9931 13.75270 0.000000       13.75270 
1 1 1 6   22  3  o 61.58386 17.57834 97.90378       54.30548 0.000000       0.000000 97.90378       54.30548 ?        ?        61.58386 17.57834 0.000000       17.57834 
1 1 1 6   22  4  o 128.2377 15.42225 413.6410       92.65684 0.000000       0.000000 413.6410       92.65684 ?        ?        128.2377 15.42225 0.000000       15.42225 
1 1 1 6   22  5  o 77.10186 27.20905 150.3383       124.9026 0.000000       0.000000 150.3383       124.9026 ?        ?        77.10186 27.20905 0.000000       27.20905 
1 1 1 6   22  6  o 43.17918 18.60659 0.6118045      69.71433 0.000000       0.000000 0.6118045      69.71433 ?        ?        43.17918 18.60659 0.000000       18.60659 
1 1 1 6   22  7  o 42.27665 16.71455 27.27358       49.99894 0.000000       0.000000 27.27358       49.99894 ?        ?        42.27665 16.71455 0.000000       16.71455 
1 1 1 6   22  8  o 197.8597 12.61739 965.5128       118.7316 0.000000       0.000000 965.5128       118.7316 ?        ?        197.8597 12.61739 0.000000       12.61739 
1 1 1 6   22  9  o 211.7170 13.26492 1109.585       133.5921 0.000000       0.000000 1109.585       133.5921 ?        ?        211.7170 13.26492 0.000000       13.26492 
1 1 1 6   22  10 o 24.08062 11.64945 -64.31332      41.00030 0.000000       0.000000 -64.31332      41.00030 ?        ?        24.08062 11.64945 0.000000       11.64945 
1 1 1 6   22  11 o 157.8305 13.29313 620.0615       99.37447 0.000000       0.000000 620.0615       99.37447 ?        ?        157.8305 13.29313 0.000000       13.29313 
1 1 1 6   22  12 f 213.7136 11.50745 1124.673       117.1427 0.000000       0.000000 1124.673       117.1427 ?        ?        213.7136 11.50745 0.000000       11.50745 
1 1 1 6   22  13 o 319.6197 15.34647 2572.479       233.8190 0.000000       0.000000 2572.479       233.8190 ?        ?        319.6197 15.34647 0.000000       15.34647 
1 1 1 6   22  14 o 42.76631 18.19618 9.296344       65.13952 0.000000       0.000000 9.296344       65.13952 ?        ?        42.76631 18.19618 0.000000       18.19618 
1 1 1 6   22  15 o 183.4895 13.80924 845.9849       120.2516 0.000000       0.000000 845.9849       120.2516 ?        ?        183.4895 13.80924 0.000000       13.80924 
1 1 1 6   22  16 o 123.3296 19.22222 404.1391       109.6455 0.000000       0.000000 404.1391       109.6455 ?        ?        123.3296 19.22222 0.000000       19.22222 
1 1 1 6   22  17 o 215.7553 13.31016 1169.125       136.6261 0.000000       0.000000 1169.125       136.6261 ?        ?        215.7553 13.31016 0.000000       13.31016 
1 1 1 6   22  18 o 70.11405 26.32259 128.7663       119.4952 0.000000       0.000000 128.7663       119.4952 ?        ?        70.11405 26.32259 0.000000       26.32259 
1 1 1 6   22  19 o 210.3873 13.71836 1124.953       137.2319 0.000000       0.000000 1124.953       137.2319 ?        ?        210.3873 13.71836 0.000000       13.71836 
1 1 1 6   22  20 o 69.23812 23.65033 136.9706       93.99894 98.97804       188.1421 149.6089       108.5129 70.13053 30.39388 71.78194 25.35849 -1.651405      39.58335 
1 1 1 6   22  21 o 95.49171 22.80991 268.8923       102.7023 49.57271       204.5176 342.8486       118.7626 66.44530 30.05906 107.3833 23.76265 -40.93797      38.31723 
1 1 1 6   23  0  o 72.25257 22.09264 141.4193       83.39410 0.000000       0.000000 141.4193       83.39410 ?        ?        72.25257 22.09264 0.000000       22.09264 
1 1 1 6   23  1  o 81.24059 21.19222 179.7574       83.15842 0.000000       0.000000 179.7574       83.15842 ?        ?        81.24059 21.19222 0.000000       21.19222 
1 1 1 6   23  2  o 71.70721 22.02344 138.4929       82.75606 0.000000       0.000000 138.4929       82.75606 ?        ?        71.70721 22.02344 0.000000       22.02344 
1 1 1 6   23  3  f 96.79742 16.59520 242.9183       74.03611 0.000000       0.000000 242.9183       74.03611 ?        ?        96.79742 16.59520 0.000000       16.59520 
1 1 1 6   23  4  o 129.6055 12.98335 420.0978       79.36662 0.000000       0.000000 420.0978       79.36662 ?        ?        129.6055 12.98335 0.000000       12.98335 
1 1 1 6   23  5  o 235.2816 13.20825 1378.406       147.9770 0.000000       0.000000 1378.406       147.9770 ?        ?        235.2816 13.20825 0.000000       13.20825 
1 1 1 6   23  6  o 99.06187 22.79840 270.3741       105.7322 0.000000       0.000000 270.3741       105.7322 ?        ?        99.06187 22.79840 0.000000       22.79840 
1 1 1 6   23  7  o 87.01277 21.21448 206.5636       87.44225 0.000000       0.000000 206.5636       87.44225 ?        ?        87.01277 21.21448 0.000000       21.21448 
1 1 1 6   23  8  o 29.85963 14.21110 -64.96246      55.64718 0.000000       0.000000 -64.96246      55.64718 ?        ?        29.85963 14.21110 0.000000       14.21110 
1 1 1 6   23  9  o 135.1711 48.89610 771.5583       405.9068 0.000000       0.000000 771.5583       405.9068 ?        ?        135.1711 48.89610 0.000000       48.89610 
1 1 1 6   23  10 o 55.88432 18.31400 79.63498       56.43963 0.000000       0.000000 79.63498       56.43963 ?        ?        55.88432 18.31400 0.000000       18.31400 
1 1 1 6   23  11 o 174.1096 13.66455 763.4131       112.8327 0.000000       0.000000 763.4131       112.8327 ?        ?        174.1096 13.66455 0.000000       13.66455 
1 1 1 6   23  12 o 122.6762 14.77149 385.3574       84.89357 0.000000       0.000000 385.3574       84.89357 ?        ?        122.6762 14.77149 0.000000       14.77149 
1 1 1 6   23  13 o 184.5818 12.03430 851.3533       105.6194 0.000000       0.000000 851.3533       105.6194 ?        ?        184.5818 12.03430 0.000000       12.03430 
1 1 1 6   23  14 o 103.5873 20.95269 297.9006       100.1969 0.000000       0.000000 297.9006       100.1969 ?        ?        103.5873 20.95269 0.000000       20.95269 
1 1 1 6   23  15 f 99.82085 19.09781 272.4484       87.82136 0.000000       0.000000 272.4484       87.82136 ?        ?        99.82085 19.09781 0.000000       19.09781 
1 1 1 6   23  16 o 21.52963 10.89677 -183.9932      55.54110 0.000000       0.000000 -183.9932      55.54110 ?        ?        21.52963 10.89677 0.000000       10.89677 
1 1 1 6   23  17 o 48.99647 19.75221 44.09061       71.20079 0.000000       0.000000 44.09061       71.20079 ?        ?        48.99647 19.75221 0.000000       19.75221 
1 1 1 6   24  4  o 33.05088 15.20942 -33.34271      55.32477 0.000000       0.000000 -33.34271      55.32477 ?        ?        33.05088 15.20942 0.000000       15.20942 
1 1 1 6   24  5  o 155.3780 12.35335 607.5944       91.01128 0.000000       0.000000 607.5944       91.01128 ?        ?        155.3780 12.35335 0.000000       12.35335 
1 1 1 6   24  6  o 59.98679 28.97123 -197.2783      250.9577 0.000000       0.000000 -197.2783      250.9577 ?        ?        59.98679 28.97123 0.000000       28.97123 
1 1 1 6   24  7  o 73.92151 23.83913 157.2277       95.83990 0.000000       0.000000 157.2277       95.83990 ?        ?        73.92151 23.83913 0.000000       23.83913 
1 1 1 6   24  8  o 71.10597 23.90332 143.9745       95.99455 0.000000       0.000000 143.9745       95.99455 ?        ?        71.10597 23.90332 0.000000       23.90332 
1 1 1 7   -17 0  o 65.19443 21.89075 120.1060       80.51182 120.1060       80.51182 0.000000       0.000000 65.19443 21.89075 ?        ?        0.000000       21.89075 
1 1 1 7   -17 1  o 186.5831 15.92758 915.2750       140.7219 915.2750       140.7219 0.000000       0.000000 186.5831 15.92758 ?        ?        0.000000       15.92758 
1 1 1 7   -17 2  o 99.85214 26.67651 312.2419       129.7686 312.2419       129.7686 0.000000       0.000000 99.85214 26.67651 ?        ?        0.000000       26.67651 
1 1 1 7   -17 3  o 84.69912 27.46255 228.5813       127.0827 228.5813       127.0827 0.000000       0.000000 84.69912 27.46255 ?        ?        0.000000       27.46255 
1 1 1 7   -17 4  o 135.8031 17.48856 496.4382       110.9129 496.4382       110.9129 0.000000       0.000000 135.8031 17.48856 ?        ?        0.000000       17.48856 
1 1 1 7   -16 0  o 62.45877 19.91349 103.6722       67.01341 103.6722       67.01341 0.000000       0.000000 62.45877 19.91349 ?        ?        0.000000       19.91349 
1 1 1 7   -16 1  f 87.21041 20.02012 207.6944       81.70445 207.6944       81.70445 0.000000       0.000000 87.21041 20.02012 ?        ?        0.000000       20.02012 
1 1 1 7   -16 2  o 100.3456 18.87980 269.7527       87.25083 269.7527       87.25083 0.000000       0.000000 100.3456 18.87980 ?        ?        0.000000       18.87980 
1 1 1 7   -16 3  o 159.9260 16.55677 661.2778       124.7623 661.2778       124.7623 0.000000       0.000000 159.9260 16.55677 ?        ?        0.000000       16.55677 
1 1 1 7   -16 4  o 198.2673 14.95006 1000.381       140.6666 1000.381       140.6666 0.000000       0.000000 198.2673 14.95006 ?        ?        0.000000       14.95006 
1 1 1 7   -16 5  o 156.0809 18.68933 643.5457       136.6913 643.5457       136.6913 0.000000       0.000000 156.0809 18.68933 ?        ?        0.000000       18.68933 
1 1 1 7   -16 6  o 102.5217 22.16830 293.3417       105.4877 293.3417       105.4877 0.000000       0.000000 102.5217 22.16830 ?        ?        0.000000       22.16830 
1 1 1 7   -16 7  o 88.32565 29.64457 239.8428       147.6497 239.8428       147.6497 0.000000       0.000000 88.32565 29.64457 ?        ?        0.000000       29.64457 
1 1 1 7   -16 8  o 58.18900 25.36437 27.72969       132.6082 27.72969       132.6082 0.000000       0.000000 58.18900 25.36437 ?        ?        0.000000       25.36437 
1 1 1 7   -16 9  o 45.95469 19.98298 6.752370       81.88817 6.752370       81.88817 0.000000       0.000000 45.95469 19.98298 ?        ?        0.000000       19.98298 
1 1 1 7   -16 10 o 142.8795 12.06419 514.5004       81.63999 392.0442       133.1059 588.3491       103.3661 115.4313 24.85504 151.1921 14.47678 -35.76083      28.76369 
1 1 1 7   -16 11 o 90.27850 14.80699 213.6746       61.69501 167.3666       83.78458 268.5232       91.18416 76.23587 21.85792 98.09753 20.11825 -21.86166      29.70711 
1 1 1 7   -15 0  o 96.40313 15.20104 236.6903       67.74196 236.6903       67.74196 0.000000       0.000000 96.40313 15.20104 ?        ?        0.000000       15.20104 
1 1 1 7   -15 1  o 101.3943 17.05943 265.1174       79.76338 265.1174       79.76338 0.000000       0.000000 101.3943 17.05943 ?        ?        0.000000       17.05943 
1 1 1 7   -15 2  o 193.8988 11.50181 924.3918       106.1437 924.3918       106.1437 0.000000       0.000000 193.8988 11.50181 ?        ?        0.000000       11.50181 
1 1 1 7   -15 3  f 182.0880 13.29507 823.5607       114.9416 823.5607       114.9416 0.000000       0.000000 182.0880 13.29507 ?        ?        0.000000       13.29507 
1 1 1 7   -15 4  o 88.91266 25.17982 219.6870       111.8666 219.6870       111.8666 0.000000       0.000000 88.91266 25.17982 ?        ?        0.000000       25.17982 
1 1 1 7   -15 5  o 80.72086 19.57800 173.9685       74.76944 173.9685       74.76944 0.000000       0.000000 80.72086 19.57800 ?        ?        0.000000       19.57800 
1 1 1 7   -15 6  o 133.1240 14.23725 446.0308       89.20776 446.0308       89.20776 0.000000       0.000000 133.1240 14.23725 ?        ?        0.000000       14.23725 
1 1 1 7   -15 7  o 52.88380 22.38576 24.14425       97.73286 24.14425       97.73286 0.000000       0.000000 52.88380 22.38576 ?        ?        0.000000       22.38576 
1 1 1 7   -15 8  o 190.4818 13.15829 905.1307       119.0925 905.1307       119.0925 0.000000       0.000000 190.4818 13.15829 ?        ?        0.000000       13.15829 
1 1 1 7   -15 9  o 243.2227 8.567636 1440.223       99.47061 1325.333       146.5620 1538.339       135.4407 230.3326 13.36680 249.6718 11.37664 -19.33913      17.55275 
1 1 1 7   -15 10 o 166.2281 10.56619 680.7851       83.53671 568.2487       117.0874 797.4562       119.2190 148.4718 16.78944 177.9366 14.13027 -29.46471      21.94424 
1 1 1 7   -15 11 o 48.08837 18.03161 48.74380       56.03790 28.43338       105.3321 56.76176       66.18099 54.52642 23.16699 51.71889 19.55163 2.807526       30.31461 
1 1 1 7   -15 12 o 193.8687 11.04619 929.6160       101.9595 1382.994       253.3669 842.0086       111.3756 223.5567 24.08535 183.4408 12.77939 40.11592       27.26567 
1 1 1 7   -15 13 o 158.0809 12.79508 628.1887       95.87511 518.4773       181.0734 670.9286       113.0175 130.3498 29.71819 162.1274 14.74181 -31.77760      33.17366 
1 1 1 7   -15 14 o 68.03159 21.71281 128.1692       79.65436 5.670076       163.4931 166.2966       91.21195 60.61104 27.19438 76.29431 23.05974 -15.68327      35.65510 
1 1 1 7   -15 15 o 166.6630 13.63678 707.8814       107.7082 714.2629       247.6627 706.3929       119.6120 142.7071 36.23867 165.1681 15.32216 -22.46103      39.34476 
1 1 1 7   -14 0  o 51.18993 19.19849 52.36157       63.53215 52.36157       63.53215 0.000000       0.000000 51.18993 19.19849 ?        ?        0.000000       19.19849 
1 1 1 7   -14 1  o 279.4823 9.568467 1895.110       127.6627 1895.110       127.6627 0.000000       0.000000 279.4823 9.568467 ?        ?        0.000000       9.568467 
1 1 1 7   -14 2  o 213.2841 10.62624 1108.501       108.0132 1108.501       108.0132 0.000000       0.000000 213.2841 10.62624 ?        ?        0.000000       10.62624 
1 1 1 7   -14 3  o 47.34950 18.42507 38.12825       59.94094 38.12825       59.94094 0.000000       0.000000 47.34950 18.42507 ?        ?        0.000000       18.42507 
1 1 1 7   -14 4  o 167.6232 12.21598 690.2866       97.22527 690.2866       97.22527 0.000000       0.000000 167.6232 12.21598 ?        ?        0.000000       12.21598 
1 1 1 7   -14 5  o 97.91356 18.64022 248.2000       84.07107 248.2000       84.07107 0.000000       0.000000 97.91356 18.64022 ?        ?        0.000000       18.64022 
1 1 1 7   -14 6  o 128.5600 15.27312 414.3529       92.04081 414.3529       92.04081 0.000000       0.000000 128.5600 15.27312 ?        ?        0.000000       15.27312 
1 1 1 7   -14 7  o 178.6066 11.87713 782.5208       100.8423 782.5208       100.8423 0.000000       0.000000 178.6066 11.87713 ?        ?        0.000000       11.87713 
1 1 1 7   -14 8  o 98.77806 11.40158 240.9752       52.85656 245.0277       85.11330 238.4313       67.43634 97.05515 19.02343 97.14503 15.00268 -0.8988190E-01 24.22749 
1 1 1 7   -14 9  o 221.4160 9.307667 1190.528       98.30793 1237.084       126.7417 1120.214       155.7585 224.6350 11.84325 211.8617 15.48461 12.77325       19.49450 
1 1 1 7   -14 10 o 69.67802 13.60604 123.5215       43.69805 282.6360       96.98586 82.99287       48.94793 103.6369 20.30081 56.97185 16.81574 46.66506       26.36081 
1 1 1 7   -14 11 o 133.2325 12.57631 440.2647       79.15932 421.0825       197.1581 443.9512       86.43185 118.6743 33.36564 133.3277 13.75684 -14.65340      36.09039 
1 1 1 7   -14 12 o 62.90388 20.21574 101.8598       68.96027 196.8848       135.3453 68.54136       80.14323 84.37660 28.38301 56.93840 21.51752 27.43821       35.61740 
1 1 1 7   -14 13 o 40.56074 18.19827 -23.42308      73.21365 48.33490       233.7554 -31.22806      77.09255 75.29533 33.22081 40.75657 18.44474 34.53876       37.99777 
1 1 1 7   -14 14 o 177.1138 12.54263 780.1748       105.5191 1090.856       246.6774 710.5945       116.7386 197.0899 26.87891 167.7824 14.70164 29.30748       30.63681 
1 1 1 7   -14 15 o 88.07178 17.47752 204.5132       70.99313 96.66972       139.6548 242.0931       82.43971 68.62306 27.66357 95.40796 18.74248 -26.78490      33.41487 
1 1 1 7   -14 16 o 51.85158 16.97318 67.71815       48.48402 111.9542       139.8448 61.67455       51.69001 70.25682 27.89716 50.55351 17.52740 19.70331       32.94634 
1 1 1 7   -14 17 o 76.04336 17.02519 154.3571       60.35159 253.4033       263.5038 148.8738       61.99966 90.62881 37.43779 74.39777 17.69102 16.23103       41.40725 
1 1 1 7   -14 18 o 52.84816 21.11096 52.84021       80.55592 368.4700       285.6602 25.57174       83.96360 98.93469 39.67504 49.16421 20.77713 49.77048       44.78613 
1 1 1 7   -14 19 o 49.25200 20.59861 31.71773       81.18903 -220.0100      297.1891 52.02005       84.39957 63.53304 30.88197 53.06054 21.46421 10.47250       37.60862 
1 1 1 7   -13 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -13 2  o 72.35372 23.13456 131.9131       90.39531 131.9131       90.39531 0.000000       0.000000 72.35372 23.13456 ?        ?        0.000000       23.13456 
1 1 1 7   -13 3  o 384.8922 8.783711 3573.061       161.6313 3573.061       161.6313 0.000000       0.000000 384.8922 8.783711 ?        ?        0.000000       8.783711 
1 1 1 7   -13 4  o 73.59071 20.16701 140.0726       73.04639 140.0726       73.04639 0.000000       0.000000 73.59071 20.16701 ?        ?        0.000000       20.16701 
1 1 1 7   -13 5  o 88.87569 18.76653 203.4937       77.23408 203.4937       77.23408 0.000000       0.000000 88.87569 18.76653 ?        ?        0.000000       18.76653 
1 1 1 7   -13 6  f 98.13470 14.40119 240.6983       65.55701 240.6983       65.55701 0.000000       0.000000 98.13470 14.40119 ?        ?        0.000000       14.40119 
1 1 1 7   -13 7  o 79.73734 13.44878 159.4818       49.44673 162.7069       67.95152 155.8521       72.08813 79.31937 18.29239 77.40394 19.49406 1.915428       26.73256 
1 1 1 7   -13 8  o 202.7557 8.202646 993.0642       79.34836 1025.645       111.2167 959.2867       113.2417 205.0791 11.38804 198.0919 12.01373 6.987183       16.55346 
1 1 1 7   -13 9  o 203.2305 10.88706 1005.923       105.3950 1093.755       166.1140 946.7415       136.3553 209.3709 16.73436 195.6661 14.68343 13.70482       22.26301 
1 1 1 7   -13 10 o 104.7788 12.20336 271.2540       59.98815 388.5673       152.3094 249.7147       65.26327 119.4309 27.27527 99.94902 14.04476 19.48183       30.67892 
1 1 1 7   -13 11 o 204.2777 11.52190 1019.683       112.0700 1054.478       179.7523 997.5561       143.3398 204.2595 18.61123 200.5103 15.06289 3.749161       23.94303 
1 1 1 7   -13 12 o 134.7061 13.21319 448.8784       84.00124 419.4706       219.7991 453.9082       90.90149 119.4902 35.72506 135.0859 14.29160 -15.59572      38.47765 
1 1 1 7   -13 13 o 113.1392 13.33726 318.2211       70.75727 466.2948       148.0071 274.3534       80.55946 132.2505 24.30402 103.7680 16.81330 28.48254       29.55287 
1 1 1 7   -13 14 o 68.42727 19.90250 122.0482       69.00287 195.6006       203.8452 112.5294       73.33209 89.05640 34.15786 66.22855 20.79567 22.82784       39.99024 
1 1 1 7   -13 15 o 217.3490 12.35446 1163.349       127.8491 1400.713       238.0710 1067.153       151.5573 231.7501 21.74098 206.4308 15.46907 25.31927       26.68262 
1 1 1 7   -13 16 o 116.2526 14.36211 340.6014       78.12759 340.6270       150.5914 340.5920       91.38877 108.8907 28.57373 115.0444 17.13800 -6.153656      33.31920 
1 1 1 7   -13 17 o 161.2445 12.13735 644.5335       92.87891 633.0590       186.0078 648.3447       107.1994 150.0760 26.91330 160.7388 14.09205 -10.66280      30.37946 
1 1 1 7   -13 18 o 34.09846 14.79930 -2.922747      44.73806 -21.19992      159.6886 -1.366012      46.60438 59.47824 26.76533 35.06829 15.16273 24.40995       30.76185 
1 1 1 7   -13 19 o 96.46259 16.25701 241.9228       72.31073 113.3043       288.6985 250.5319       74.69160 83.14664 36.79121 98.07897 16.51510 -14.93233      40.32792 
1 1 1 7   -13 20 o 56.65251 18.62704 82.96034       58.36587 67.54065       278.7215 83.66752       59.68925 77.80995 35.15608 56.92989 18.84231 20.88006       39.88712 
1 1 1 7   -13 21 o 111.5235 15.36849 323.3489       79.76564 804.6818       271.2556 277.7875       83.45548 151.2624 37.65658 101.8956 17.77756 49.36677       41.64204 
1 1 1 7   -12 0  o 59.10797 18.86899 85.50982       60.15275 85.50982       60.15275 0.000000       0.000000 59.10797 18.86899 ?        ?        0.000000       18.86899 
1 1 1 7   -12 1  o 134.5856 12.03671 442.8687       76.63206 442.8687       76.63206 0.000000       0.000000 134.5856 12.03671 ?        ?        0.000000       12.03671 
1 1 1 7   -12 2  o 349.1448 10.31603 2948.737       172.0085 2948.737       172.0085 0.000000       0.000000 349.1448 10.31603 ?        ?        0.000000       10.31603 
1 1 1 7   -12 3  o 147.3339 12.23704 530.3962       85.41872 530.3962       85.41872 0.000000       0.000000 147.3339 12.23704 ?        ?        0.000000       12.23704 
1 1 1 7   -12 4  o 156.4782 12.02986 597.4060       89.30561 597.4060       89.30561 0.000000       0.000000 156.4782 12.02986 ?        ?        0.000000       12.02986 
1 1 1 7   -12 5  o 206.6686 16.19840 1054.505       158.7717 1054.505       158.7717 0.000000       0.000000 206.6686 16.19840 ?        ?        0.000000       16.19840 
1 1 1 7   -12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -12 7  o 195.3197 8.177499 919.7745       76.19263 855.4977       105.7591 989.1370       109.8634 187.4717 11.86057 201.7582 11.43656 -14.28648      16.47629 
1 1 1 7   -12 8  o 349.0112 8.014056 2931.108       133.7212 2885.522       207.9393 2963.255       174.6161 344.3757 12.65128 349.9629 10.44818 -5.587158      16.40791 
1 1 1 7   -12 9  o 70.30949 17.70459 126.6841       59.46739 147.2492       132.1199 121.4593       66.59452 78.91449 27.97156 68.92606 19.39599 9.988434       34.03840 
1 1 1 7   -12 10 o 110.8874 12.32250 302.2281       64.22461 237.2145       102.7362 343.9344       82.28523 95.17309 22.86519 117.6586 14.96641 -22.48551      27.32783 
1 1 1 7   -12 11 o 206.0631 10.25849 1029.613       100.7452 943.1634       212.7726 1054.594       114.3791 191.4155 23.76026 208.1665 11.53798 -16.75101      26.41353 
1 1 1 7   -12 12 o 277.6374 9.340128 1864.275       123.7999 2096.430       250.8474 1789.522       142.3429 289.8402 18.19445 271.4002 10.99302 18.44000       21.25758 
1 1 1 7   -12 13 o 88.67796 17.11894 201.0101       69.94878 199.9279       199.9998 201.1610       74.66418 90.97149 34.07461 88.37041 18.27612 2.601074       38.66647 
1 1 1 7   -12 14 o 140.1207 11.52740 480.7498       76.53986 497.6174       141.3858 473.7571       91.03280 138.4260 22.10716 138.3349 13.95497 0.9106445E-01  26.14321 
1 1 1 7   -12 15 o 48.75470 19.22387 37.50394       65.97740 81.24627       201.6505 32.25989       69.82034 77.52029 32.44505 48.69569 19.58475 28.82461       37.89781 
1 1 1 7   -12 16 o 68.09799 16.64946 119.7180       53.74456 313.8267       226.6774 108.1563       55.32201 105.3070 36.69312 64.72181 17.47379 40.58520       40.64133 
1 1 1 7   -12 17 o 105.8278 15.89193 283.5011       77.92376 392.1895       156.9252 247.9298       89.77405 119.0331 28.03981 97.35329 19.95899 21.67984       34.41791 
1 1 1 7   -12 18 o 57.80433 20.82883 76.00606       73.56812 249.6006       157.6378 27.66940       83.18227 94.28081 30.58769 50.79024 21.01278 43.49057       37.10989 
1 1 1 7   -12 19 o 193.3002 11.99765 921.4425       110.3293 1114.730       207.3167 845.0718       130.3155 206.1851 21.33951 183.5196 14.98297 22.66544       26.07420 
1 1 1 7   -12 20 o 128.2250 13.78429 413.2244       83.17628 741.7155       166.2185 303.4917       96.06952 167.2159 21.27276 107.0697 19.48529 60.14616       28.84799 
1 1 1 7   -12 21 o 84.56186 22.93305 198.3726       95.03477 271.2332       158.7026 157.6390       118.6627 95.23940 30.67340 76.27441 26.55014 18.96498       40.56806 
1 1 1 7   -12 22 o 198.0517 13.07559 982.0120       123.1152 863.4915       208.5331 1045.427       152.5363 175.0241 25.68497 202.2216 15.90541 -27.19753      30.21092 
1 1 1 7   -12 23 o 251.8933 11.90583 1582.463       142.9730 1814.186       258.9215 1480.815       171.4879 258.6410 21.12312 240.7731 14.97170 17.86784       25.89088 
1 1 1 7   -12 24 o 166.3353 15.78274 719.3758       124.0073 888.3969       221.7842 642.5009       149.5729 171.5644 28.00445 152.5390 21.07216 19.02541       35.04689 
1 1 1 7   -11 0  o 277.0993 8.342349 1848.568       110.3919 1848.568       110.3919 0.000000       0.000000 277.0993 8.342349 ?        ?        0.000000       8.342349 
1 1 1 7   -11 1  o 118.5248 11.39079 342.7073       63.75256 342.7073       63.75256 0.000000       0.000000 118.5248 11.39079 ?        ?        0.000000       11.39079 
1 1 1 7   -11 2  o 273.5532 9.263391 1804.512       120.9743 1804.512       120.9743 0.000000       0.000000 273.5532 9.263391 ?        ?        0.000000       9.263391 
1 1 1 7   -11 3  o 258.3825 9.492180 1610.896       117.0573 1610.896       117.0573 0.000000       0.000000 258.3825 9.492180 ?        ?        0.000000       9.492180 
1 1 1 7   -11 4  o 51.25345 19.41997 48.15300       65.38017 48.15300       65.38017 0.000000       0.000000 51.25345 19.41997 ?        ?        0.000000       19.41997 
1 1 1 7   -11 5  o 279.3958 8.689184 1880.621       115.9255 1880.621       115.9255 0.000000       0.000000 279.3958 8.689184 ?        ?        0.000000       8.689184 
1 1 1 7   -11 6  o 159.2950 8.109716 611.7969       61.55801 533.4661       87.55443 688.3696       86.56632 147.8212 12.50615 168.4571 10.80556 -20.63594      16.52768 
1 1 1 7   -11 7  o 187.8712 8.817485 851.6981       78.97689 956.3798       134.7006 796.8613       97.49226 197.6307 14.35414 181.1554 11.31315 16.47528       18.27646 
1 1 1 7   -11 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -11 9  o 260.7050 9.243735 1640.157       115.0316 1637.707       213.2414 1641.162       136.6136 257.4501 17.42759 260.2757 11.00355 -2.825623      20.61065 
1 1 1 7   -11 10 o 344.3354 9.389787 2860.916       154.4330 3172.056       329.8155 2773.542       174.7769 357.2677 19.38198 338.5184 10.81311 18.74933       22.19425 
1 1 1 7   -11 11 o 309.7557 11.88979 2329.005       175.7498 2375.820       238.4223 2273.298       260.0835 310.9072 16.09491 303.0510 18.03254 7.856232       24.17062 
1 1 1 7   -11 12 o 47.49519 15.20694 54.11389       39.04771 87.75743       115.3133 49.75650       41.49940 67.45763 25.73613 46.52935 15.71670 20.92827       30.15565 
1 1 1 7   -11 13 o 308.9968 12.13591 2319.845       178.9326 2207.276       234.6909 2476.118       276.5211 299.3711 16.46087 315.9968 18.38300 -16.62564      24.67580 
1 1 1 7   -11 14 o 201.4996 9.844296 982.7370       94.54765 1194.689       173.4455 893.1285       112.7767 219.8053 16.62838 191.3702 12.39306 28.43506       20.73863 
1 1 1 7   -11 15 f 157.5068 12.13081 606.2770       90.64433 852.0807       221.0491 556.5893       99.38454 180.3686 26.41716 150.3296 13.98874 30.03899       29.89233 
1 1 1 7   -11 16 o 142.6647 11.55348 497.6679       78.12839 716.1547       236.5105 470.9056       82.77516 161.2432 31.81075 138.4433 12.64552 22.79999       34.23205 
1 1 1 7   -11 17 f 202.2425 11.99490 999.4343       115.4576 1164.191       196.4978 912.5590       142.6867 214.7454 19.34648 191.7351 15.70334 23.01038       24.91749 
1 1 1 7   -11 18 o 86.30821 21.58410 196.5915       88.82365 28.76295       156.5555 276.2610       107.8653 65.80695 28.11073 102.1451 22.67909 -36.33810      36.11861 
1 1 1 7   -11 19 o 174.2091 12.75071 746.2820       105.4619 680.4622       174.5520 784.1220       132.3495 161.2026 23.32599 177.3088 15.77751 -16.10617      28.16082 
1 1 1 7   -11 20 o 130.3261 16.03272 427.8737       97.79291 505.3606       160.8732 382.4577       123.1613 136.9430 25.51011 120.3880 22.21675 16.55502       33.82823 
1 1 1 7   -11 21 o 90.18091 22.20538 219.3001       95.09052 344.0524       153.7406 142.0054       121.0150 109.9133 28.88486 75.01356 26.75151 34.89970       39.36976 
1 1 1 7   -11 22 o 240.7024 11.89795 1428.515       136.4938 1368.564       240.8456 1456.880       165.6669 226.9676 22.49105 241.3770 14.42169 -14.40945      26.71765 
1 1 1 7   -11 23 o 51.70894 19.96342 52.24119       69.94978 78.79852       178.5479 47.42601       76.02717 71.42022 30.24586 51.97392 20.59119 19.44630       36.58974 
1 1 1 7   -11 24 o 46.26089 19.32762 21.46134       71.36848 137.5073       180.6510 -0.6840350E-04 77.68810 77.05995 31.31834 44.64065 19.43702 32.41930       36.85968 
1 1 1 7   -11 25 o 156.7116 18.22140 648.7720       133.9755 724.2640       221.7784 605.3917       168.1185 152.5453 31.45503 145.5253 25.06862 7.020004       40.22256 
1 1 1 7   -11 26 o 77.52230 24.00526 175.2243       98.07950 -36.32191      210.0320 234.2200       110.9157 63.05505 29.23448 88.67218 25.05919 -25.61713      38.50478 
1 1 1 7   -10 0  o 300.1766 8.908451 2169.063       127.7046 2169.063       127.7046 0.000000       0.000000 300.1766 8.908451 ?        ?        0.000000       8.908451 
1 1 1 7   -10 1  o 52.29723 17.01975 64.81909       48.78513 64.81909       48.78513 0.000000       0.000000 52.29723 17.01975 ?        ?        0.000000       17.01975 
1 1 1 7   -10 2  o 260.1495 8.115941 1627.560       100.8181 1627.560       100.8181 0.000000       0.000000 260.1495 8.115941 ?        ?        0.000000       8.115941 
1 1 1 7   -10 3  o 121.3055 10.61475 357.4429       60.94036 357.4429       60.94036 0.000000       0.000000 121.3055 10.61475 ?        ?        0.000000       10.61475 
1 1 1 7   -10 4  o 299.9320 8.063157 2162.797       115.5160 2162.797       115.5160 0.000000       0.000000 299.9320 8.063157 ?        ?        0.000000       8.063157 
1 1 1 7   -10 5  o 261.9259 6.882819 1647.167       86.11458 1663.012       118.7360 1629.583       125.0804 262.6729 9.470436 259.8723 10.08663 2.800598       13.83580 
1 1 1 7   -10 6  o 377.7235 6.364182 3421.513       114.9278 3385.919       146.4327 3478.609       185.4615 375.3672 8.159685 379.7688 10.22402 -4.401642      13.08094 
1 1 1 7   -10 7  o 140.2441 9.454666 475.6374       63.02221 407.0439       103.4739 516.0884       79.46098 127.8695 17.37514 145.7237 11.49864 -17.85418      20.83541 
1 1 1 7   -10 8  o 174.4525 9.159758 734.4404       76.12813 670.4750       134.6450 764.4969       92.29691 164.6226 17.36926 177.6476 10.92002 -13.02493      20.51677 
1 1 1 7   -10 9  o 368.9063 14.84521 3317.447       261.2900 3092.388       373.2446 3533.742       365.9045 351.8985 22.30013 377.5915 20.34435 -25.69296      30.18589 
1 1 1 7   -10 10 o 81.01984 14.60748 164.4072       54.50047 298.9238       106.0117 116.0827       63.54028 108.0491 21.27974 67.65684 18.91284 40.39227       28.46968 
1 1 1 7   -10 11 o 164.8126 10.90761 658.9161       85.46304 707.1251       198.0086 647.8793       94.74220 165.5506 25.86302 163.1136 12.23836 2.437073       28.61247 
1 1 1 7   -10 12 o 407.2127 12.01380 4019.619       233.6334 3849.032       271.9309 4500.535       456.5833 397.3020 14.33978 423.5641 22.62934 -26.26208      26.79023 
1 1 1 7   -10 13 o 185.9077 11.26892 839.0055       99.68823 799.5933       159.1606 864.4478       127.8788 179.0221 18.88004 187.8368 14.34859 -8.814743      23.71366 
1 1 1 7   -10 14 o 248.1968 9.646108 1487.963       114.2429 1286.067       214.9608 1567.435       134.8660 226.8176 20.02880 254.3197 11.11898 -27.50209      22.90818 
1 1 1 7   -10 15 o 296.3049 9.728193 2120.312       137.6228 2312.077       255.1858 2041.662       163.4259 305.9997 17.51642 290.0518 11.80990 15.94781       21.12578 
1 1 1 7   -10 16 f 187.9088 11.92065 859.2243       106.5396 914.8461       180.3512 829.4099       132.0412 190.9398 20.05571 183.6038 15.17796 7.336029       25.15158 
1 1 1 7   -10 17 o 144.4194 12.40789 510.0750       84.84100 631.0083       160.4942 463.1753       99.94743 157.3131 21.93528 136.6732 15.57360 20.63986       26.90155 
1 1 1 7   -10 18 o 124.8692 15.25869 387.7380       89.20210 301.7228       144.2762 440.9649       113.4940 105.7923 28.06672 132.1653 18.46497 -26.37308      33.59607 
1 1 1 7   -10 19 o 193.2220 12.02819 912.0027       110.5621 916.8496       183.6988 909.2496       138.4454 189.9354 20.55708 191.7035 15.23079 -1.768127      25.58458 
1 1 1 7   -10 20 o 109.4827 18.53409 306.7259       93.55407 261.0876       147.3477 337.5496       121.0935 97.78636 29.25375 113.0981 23.17492 -15.31178      37.32102 
1 1 1 7   -10 21 o 128.0969 17.91853 416.8455       106.7382 277.8418       163.1732 520.8128       141.1185 100.0869 30.95790 141.7395 21.49877 -41.65262      37.69070 
1 1 1 7   -10 22 o 81.93803 25.98557 178.1194       114.2383 154.3904       173.4859 196.2852       151.7932 82.13553 31.50962 86.50653 30.03352 -4.371002      43.53008 
1 1 1 7   -10 23 o 59.66963 22.18218 77.58466       84.44086 -87.03465      173.2886 128.8443       96.69800 58.00340 26.77314 71.01269 23.99103 -13.00929      35.94955 
1 1 1 7   -10 24 o 67.38503 26.22501 97.03353       121.4460 113.3823       181.4214 83.75882       163.4778 76.09107 31.20955 70.86563 29.40051 5.225441       42.87687 
1 1 1 7   -10 25 o 234.7483 14.47473 1383.835       161.6605 1668.040       265.5548 1216.494       203.7694 249.6559 22.48948 215.4058 20.01568 34.25012       30.10655 
1 1 1 7   -10 26 o 43.03410 19.75438 -46.97736      92.53181 -54.05234      225.3338 -45.54233      101.4830 66.06924 30.50823 45.41313 20.78719 20.65612       36.91692 
1 1 1 7   -10 27 o 107.1246 30.41220 362.1661       162.9864 331.6417       407.8904 367.9659       177.7975 96.88548 43.24880 106.3342 32.20714 -9.448730      53.92364 
1 1 1 7   -10 28 o 55.72128 22.03237 65.48581       86.88330 30.17320       190.5374 74.75574       97.62338 65.26855 29.31489 58.67879 23.30567 6.589752       37.45020 
1 1 1 7   -9  0  o 234.7612 7.883731 1324.554       88.35883 1324.554       88.35883 0.000000       0.000000 234.7612 7.883731 ?        ?        0.000000       7.883731 
1 1 1 7   -9  1  o 210.6936 8.159496 1067.578       82.03541 1067.578       82.03541 0.000000       0.000000 210.6936 8.159496 ?        ?        0.000000       8.159496 
1 1 1 7   -9  2  o 301.8448 7.753338 2188.334       111.7946 2188.334       111.7946 0.000000       0.000000 301.8448 7.753338 ?        ?        0.000000       7.753338 
1 1 1 7   -9  3  o 211.6830 8.383164 1077.982       84.67257 1077.982       84.67257 0.000000       0.000000 211.6830 8.383164 ?        ?        0.000000       8.383164 
1 1 1 7   -9  4  f 248.6838 8.137053 1486.667       96.61351 1486.667       96.61351 0.000000       0.000000 248.6838 8.137053 ?        ?        0.000000       8.137053 
1 1 1 7   -9  5  o 242.2944 6.343471 1408.245       73.41840 1486.702       96.08305 1298.163       113.8127 248.6887 8.092095 231.9587 10.28854 16.73001       13.08954 
1 1 1 7   -9  6  o 313.2351 8.849076 2360.180       132.3858 2353.647       270.9508 2362.228       151.7299 309.6172 18.38728 313.0623 10.15094 -3.445099      21.00318 
1 1 1 7   -9  7  o 159.0163 8.814372 609.6189       66.74808 571.0378       115.1787 629.1279       81.90352 152.3758 16.05142 161.2321 10.68563 -8.856232      19.28291 
1 1 1 7   -9  8  o 272.2955 9.579377 1786.255       124.5114 1907.033       159.7761 1599.483       198.6881 280.7689 11.93014 255.7373 16.33602 25.03160       20.22854 
1 1 1 7   -9  9  o 102.0699 12.08664 255.0833       57.83771 215.2594       124.3986 266.0661       65.32803 91.48700 26.75500 103.9884 13.45546 -12.50141      29.94795 
1 1 1 7   -9  10 o 87.30048 14.70404 189.9214       59.19219 67.91575       136.9956 217.9265       65.63503 68.75467 27.50838 93.54445 15.19716 -24.78978      31.42714 
1 1 1 7   -9  11 o 62.22475 15.17756 97.87902       44.74213 39.41478       145.4323 103.9910       47.02274 66.66415 27.70017 64.11259 15.51118 2.551559       31.74738 
1 1 1 7   -9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -9  13 o 275.1415 11.93912 1833.846       156.6757 1903.477       225.9006 1769.306       217.4848 278.4394 17.05164 268.4186 17.03549 10.02078       24.10324 
1 1 1 7   -9  14 o 306.3998 12.83944 2279.542       187.6633 2476.472       277.8817 2114.417       254.4549 316.8219 18.42529 292.7481 18.27171 24.07379       25.94893 
1 1 1 7   -9  15 o 181.3793 11.55648 798.8932       99.69127 684.2630       170.6493 858.2816       122.8302 164.2911 22.30140 187.4157 13.80542 -23.12468      26.22865 
1 1 1 7   -9  16 f 146.8759 12.47740 526.7252       86.78741 485.6234       155.9057 545.1805       104.4705 136.9207 24.72659 148.7989 14.88498 -11.87822      28.86117 
1 1 1 7   -9  17 o 69.51572 23.03671 117.3081       89.21344 -6.730714      193.5014 150.7920       100.5363 69.96765 30.56638 77.30872 24.35961 -7.341072      39.08573 
1 1 1 7   -9  18 o 127.4423 18.16174 407.7964       107.5296 434.0437       209.1705 398.3682       125.3632 125.6265 34.00304 124.6692 21.82794 0.9572601      40.40626 
1 1 1 7   -9  19 o 177.1057 15.12116 772.1602       126.8106 899.3626       226.0722 713.7626       153.1782 186.2761 26.10052 168.6816 19.34375 17.59445       32.48719 
1 1 1 7   -9  20 o 221.2433 13.58424 1197.768       142.9930 1362.628       261.3160 1127.305       170.8399 230.5940 24.05675 213.2698 16.89318 17.32425       29.39569 
1 1 1 7   -9  21 o 127.4190 22.83120 423.0534       133.9736 256.8692       266.3118 479.3618       155.0180 101.9729 39.05988 134.8139 24.97069 -32.84103      46.35957 
1 1 1 7   -9  22 o 107.5068 25.66837 310.8589       130.1018 349.3357       279.2049 300.1873       147.0410 111.5154 40.52261 104.6823 28.58269 6.833176       49.58883 
1 1 1 7   -9  23 o 115.7394 16.72139 338.8252       89.84650 489.1695       184.2702 291.9360       102.9077 132.8659 29.75080 105.6242 21.11729 27.24162       36.48356 
1 1 1 7   -9  24 o 152.3667 17.57140 587.5330       125.6567 638.3114       206.6156 557.7278       158.2958 151.8474 29.52435 145.3083 23.59474 6.539032       37.79417 
1 1 1 7   -9  25 o 113.8003 18.84806 336.1495       98.95959 347.5543       223.6801 333.3739       110.3462 107.4310 36.48683 112.1269 21.36427 -4.695900      42.28145 
1 1 1 7   -9  26 o 78.33910 27.90252 162.7571       131.6129 252.7681       236.3025 122.2770       158.4677 94.32606 36.61723 74.66146 29.68026 19.66460       47.13532 
1 1 1 7   -9  27 o 50.06538 21.53491 11.65227       93.06051 318.5046       403.6203 -5.575841      95.63725 102.1641 44.39544 48.49842 21.32913 53.66572       49.25330 
1 1 1 7   -9  28 o 83.77347 28.90318 205.1792       140.4900 240.2888       246.4172 188.2707       171.0052 90.10551 36.59328 81.96151 31.32327 8.143997       48.16862 
1 1 1 7   -9  29 o 124.9477 18.56234 418.5131       107.5198 650.6472       205.4233 330.9236       126.1845 144.0358 30.76612 106.0548 25.25123 37.98106       39.80174 
1 1 1 7   -8  0  o 193.1332 8.075270 896.3951       74.39831 896.3951       74.39831 0.000000       0.000000 193.1332 8.075270 ?        ?        0.000000       8.075270 
1 1 1 7   -8  1  o 318.5786 8.863019 2438.418       134.8604 2438.418       134.8604 0.000000       0.000000 318.5786 8.863019 ?        ?        0.000000       8.863019 
1 1 1 7   -8  2  o 84.74128 12.02994 176.3867       47.36994 176.3867       47.36994 0.000000       0.000000 84.74128 12.02994 ?        ?        0.000000       12.02994 
1 1 1 7   -8  3  o 334.1928 7.489239 2678.043       119.6584 2678.043       119.6584 0.000000       0.000000 334.1928 7.489239 ?        ?        0.000000       7.489239 
1 1 1 7   -8  4  o 491.6531 7.530040 5796.637       176.9964 5796.637       176.9964 0.000000       0.000000 491.6531 7.530040 ?        ?        0.000000       7.530040 
1 1 1 7   -8  5  o 164.7840 7.034749 652.1115       55.29316 621.3287       75.13214 688.4837       81.66888 160.4798 9.839887 168.9111 10.16021 -8.431290      14.14402 
1 1 1 7   -8  6  o 402.5251 7.434840 3885.736       143.0780 3931.004       210.9629 3847.178       194.6999 403.9586 10.93353 399.8264 10.19390 4.132202       14.94850 
1 1 1 7   -8  7  o 246.7045 7.651166 1461.448       90.13383 1592.110       141.7618 1372.783       116.7772 256.7804 11.57730 238.6653 10.25831 18.11516       15.46825 
1 1 1 7   -8  8  o 281.7138 9.557680 1910.146       128.5404 2030.292       163.0716 1713.008       208.8859 289.9391 11.78881 264.9303 16.57489 25.00882       20.33969 
1 1 1 7   -8  9  o 36.15264 13.20534 25.62767       29.70488 14.32707       112.0467 26.48197       30.80723 57.02024 24.04435 36.77847 13.44590 20.24177       27.54856 
1 1 1 7   -8  10 o 186.1128 10.51152 836.7307       93.14966 962.9270       151.8788 760.6389       117.9352 198.3538 16.15557 176.6734 14.07890 21.68039       21.42937 
1 1 1 7   -8  11 f 195.0098 9.360468 916.6023       87.01463 1044.969       152.6734 854.8439       105.8976 206.8102 15.55527 187.8368 11.85269 18.97340       19.55640 
1 1 1 7   -8  12 o 458.8231 8.152696 5055.898       178.8360 5565.839       282.3549 4714.289       231.1000 479.8204 12.31878 442.2302 10.93058 37.59021       16.46906 
1 1 1 7   -8  13 o 283.1353 9.929715 1932.236       134.2043 1853.369       253.8251 1962.838       158.1122 274.0845 19.49786 284.9367 11.63114 -10.85223      22.70352 
1 1 1 7   -8  14 o 244.7374 10.67296 1446.670       124.5799 1322.515       234.6800 1495.385       147.0029 230.3376 21.56155 248.3837 12.41865 -18.04604      24.88219 
1 1 1 7   -8  15 o 160.3663 11.52674 624.2209       87.78517 718.5669       143.3230 567.5759       111.0542 170.4116 17.85656 151.9283 15.50650 18.48332       23.64970 
1 1 1 7   -8  16 o 259.6744 10.98574 1630.435       136.0770 1393.834       223.8837 1769.048       171.3625 236.9342 19.94967 269.7941 13.32666 -32.85985      23.99144 
1 1 1 7   -8  17 o 190.9640 12.22202 886.3834       110.9985 849.1475       170.1529 913.9681       146.4512 184.5248 19.58631 192.7952 16.03368 -8.270416      25.31210 
1 1 1 7   -8  18 o 42.14405 17.91119 3.405177       62.99205 51.48910       117.0227 -16.21142      74.74494 62.54788 25.28431 42.88164 18.85759 19.66624       31.54211 
1 1 1 7   -8  19 o 115.5298 14.91241 330.7744       80.44714 306.0707       151.6702 340.4451       94.89574 107.0954 28.94068 116.4592 17.59161 -9.363815      33.86779 
1 1 1 7   -8  20 o 225.7788 12.68370 1241.171       136.3603 1281.670       216.9394 1214.720       175.3249 226.3143 20.26440 221.9017 16.64763 4.412659       26.22574 
1 1 1 7   -8  21 o 85.31772 23.84961 189.5083       101.0415 243.5802       157.6015 151.7718       131.6605 96.33089 30.51805 79.77264 27.95294 16.55825       41.38500 
1 1 1 7   -8  22 o 122.3777 19.82430 381.4428       112.0222 797.4706       177.6588 106.8661       144.3303 177.2090 21.40274 74.16685 28.66480 103.0422       35.77357 
1 1 1 7   -8  23 o 43.60597 19.30207 -19.56203      79.53339 -235.8943      305.4382 -3.827055      82.37506 71.77604 33.90492 46.48571 20.12898 25.29033       39.42994 
1 1 1 7   -8  24 o 116.5784 30.28073 377.5983       170.2621 317.6461       351.9955 395.9097       194.5339 110.7920 44.17199 118.1602 33.11497 -7.368217      55.20657 
1 1 1 7   -8  25 o 320.7294 15.69689 2551.634       239.9605 2451.126       365.6083 2627.695       318.0508 305.7390 25.23704 321.1155 20.82939 -15.37653      32.72265 
1 1 1 7   -8  26 o 105.8883 30.97739 318.7530       166.7359 403.8395       230.1348 224.7398       241.9058 116.1329 36.88852 94.75445 36.97366 21.37844       52.22849 
1 1 1 7   -8  27 o 199.9163 17.35389 1016.404       164.2231 769.1356       273.9603 1155.089       205.1714 157.8027 36.96522 210.6669 20.63539 -52.86414      42.33494 
1 1 1 7   -8  28 o 51.23806 23.80532 -82.22830      140.3785 -383.2538      429.6857 -46.25987      148.5286 74.93808 36.58250 55.63313 25.34381 19.30495       44.50379 
1 1 1 7   -8  29 o 90.90351 33.45060 247.4218       191.1587 369.4936       274.6856 132.7819       266.1928 104.3329 39.74124 83.11617 36.08646 21.21677       53.68052 
1 1 1 7   -8  30 o 119.9360 21.43509 396.7112       118.3975 182.0199       251.0538 458.1177       134.2662 83.54181 35.63954 128.0194 22.77191 -44.47755      42.29345 
1 1 1 7   -8  31 o 69.21631 25.76837 131.4865       114.0296 197.8713       414.5145 126.0515       118.6056 87.13397 40.62510 68.59633 26.11768 18.53764       48.29629 
1 1 1 7   -7  0  o 168.0007 8.100705 678.1601       64.87247 678.1601       64.87247 0.000000       0.000000 168.0007 8.100705 ?        ?        0.000000       8.100705 
1 1 1 7   -7  1  o 271.9037 7.436471 1772.815       96.57892 1772.815       96.57892 0.000000       0.000000 271.9037 7.436471 ?        ?        0.000000       7.436471 
1 1 1 7   -7  2  o 40.87037 15.26434 30.48845       40.07586 30.48845       40.07586 0.000000       0.000000 40.87037 15.26434 ?        ?        0.000000       15.26434 
1 1 1 7   -7  3  f 184.0172 8.036047 813.2640       70.52789 813.2640       70.52789 0.000000       0.000000 184.0172 8.036047 ?        ?        0.000000       8.036047 
1 1 1 7   -7  4  o 180.8996 6.664473 784.8543       57.53986 771.1938       76.68331 802.4561       87.04540 179.0734 8.985687 182.5454 10.01227 -3.472015      13.45319 
1 1 1 7   -7  5  o 260.2505 7.406460 1624.363       92.05952 1587.280       137.9760 1654.117       123.5920 256.7069 11.26983 262.2942 9.873461 -5.587250      14.98313 
1 1 1 7   -7  6  o 326.5936 7.405550 2556.224       115.6308 2476.444       171.7094 2622.423       156.4121 320.7376 11.21514 330.3163 9.915715 -9.578735      14.97000 
1 1 1 7   -7  7  o 289.7164 7.495622 2013.179       103.7348 2168.102       160.5444 1902.140       135.9180 300.0528 11.21124 281.2154 10.12602 18.83734       15.10723 
1 1 1 7   -7  8  o 124.4549 9.263008 373.8727       54.72011 338.9802       91.46053 393.3260       68.29104 117.1189 16.81586 127.3722 11.33272 -10.25336      20.27816 
1 1 1 7   -7  9  o 369.0003 9.103090 3269.026       160.5920 2832.196       353.4939 3382.629       180.2684 339.3046 21.90843 375.0442 10.06286 -35.73956      24.10893 
1 1 1 7   -7  10 o 216.8771 9.009624 1131.350       93.21415 1079.471       167.3939 1154.667       112.2238 210.2251 16.79463 218.8186 10.76035 -8.593430      19.94605 
1 1 1 7   -7  11 o 56.52039 18.19000 76.02810       55.81865 28.14569       138.6345 85.29227       60.97987 64.49022 26.94030 59.60640 18.99499 4.883820       32.96345 
1 1 1 7   -7  12 o 385.4925 9.573071 3572.544       176.4313 3827.200       393.3408 3508.405       197.4034 394.2806 20.94188 381.5635 10.83226 12.71710       23.57754 
1 1 1 7   -7  13 o 194.0385 10.88433 909.7778       100.5666 974.9333       197.3363 886.9194       116.8837 198.0446 21.16978 191.1705 12.86353 6.874161       24.77155 
1 1 1 7   -7  14 o 183.7605 12.93887 820.2747       112.9462 881.1938       189.8510 786.9020       140.5181 187.9585 21.51444 179.0409 16.60538 8.917633       27.17737 
1 1 1 7   -7  15 o 172.7468 12.39323 724.5992       101.6734 558.7083       157.1056 844.1483       133.3686 148.6630 22.83346 185.8447 15.14159 -37.18170      27.39771 
1 1 1 7   -7  16 o 298.5944 10.56827 2151.151       150.6290 2087.656       273.0053 2178.940       180.6073 290.8268 19.75209 299.9310 12.62344 -9.104218      23.44134 
1 1 1 7   -7  17 o 82.38544 22.34291 174.0669       90.20633 263.8449       135.2629 102.1555       121.0578 100.5096 27.40204 71.11756 26.53599 29.39201       38.14486 
1 1 1 7   -7  18 o 301.4004 10.96302 2195.082       157.7096 1743.675       282.2929 2399.901       190.1519 263.9355 22.58839 314.6072 12.66813 -50.67172      25.89820 
1 1 1 7   -7  19 o 237.8487 12.95430 1375.466       146.7509 1306.374       222.4627 1428.694       195.2617 228.8850 20.54817 240.9541 17.06051 -12.06902      26.70745 
1 1 1 7   -7  20 o 227.5668 14.41559 1265.978       156.0313 1222.895       219.9679 1309.609       221.3619 220.8941 21.08444 228.9634 20.43681 -8.069336      29.36353 
1 1 1 7   -7  21 o 332.1163 14.39495 2693.243       228.0217 2732.153       326.4696 2656.184       318.6165 330.8161 20.74626 326.3137 20.52724 4.502411       29.18518 
1 1 1 7   -7  22 o 399.4303 12.00631 3870.332       229.0160 3704.137       376.3568 3968.057       288.5975 385.4101 20.49903 402.7980 15.01266 -17.38791      25.40846 
1 1 1 7   -7  23 o 182.9642 18.41334 835.0315       158.8790 727.2768       232.5871 929.2986       217.5443 164.7786 30.65190 190.2168 24.48919 -25.43813      39.23339 
1 1 1 7   -7  24 o 186.7505 16.41887 864.9951       145.1022 734.7708       236.8110 943.2775       183.6065 164.5119 31.25134 193.3611 20.15705 -28.84918      37.18808 
1 1 1 7   -7  25 o 211.2799 17.88120 1117.567       178.9245 1296.746       373.8767 1064.341       203.7744 212.2095 38.25868 204.3326 21.16562 7.876862       43.72311 
1 1 1 7   -7  26 o 105.0809 34.33663 310.6786       198.4613 162.0421       394.0153 361.2074       229.7312 101.3803 43.96066 111.8798 36.96294 -10.49957      57.43517 
1 1 1 7   -7  27 o 60.45123 24.61495 51.43747       111.8450 130.0483       251.9567 32.14549       124.8168 87.01037 36.33112 60.33391 25.40604 26.67646       44.33302 
1 1 1 7   -7  28 o 180.0398 17.43917 822.5089       148.2301 901.4343       281.5307 792.2375       174.3543 174.7083 34.92746 174.2044 21.38258 0.5039215      40.95292 
1 1 1 7   -7  29 o 106.9399 29.19073 333.8410       153.3892 330.0170       441.4063 334.3662       163.5838 105.8125 46.19699 106.2234 30.56898 -0.4108963     55.39517 
1 1 1 7   -7  30 f 189.2533 21.38075 955.9963       190.0694 1061.073       303.4331 888.1432       243.8336 183.6905 35.83883 173.6214 30.48698 10.06905       47.05186 
1 1 1 7   -7  31 o 83.54813 31.68733 203.5062       174.1699 251.3802       247.5916 156.6081       245.0549 90.46573 36.70212 81.97879 35.09795 8.486938       50.78299 
1 1 1 7   -7  32 o 91.62775 32.72912 281.3582       181.2112 325.2610       258.0887 238.6707       254.4917 94.24661 37.74017 86.41288 36.32605 7.833733       52.38227 
1 1 1 7   -6  0  o 271.9641 7.242603 1772.417       94.08660 1772.417       94.08660 0.000000       0.000000 271.9641 7.242603 ?        ?        0.000000       7.242603 
1 1 1 7   -6  1  o 473.1273 7.386227 5360.647       167.0740 5360.647       167.0740 0.000000       0.000000 473.1273 7.386227 ?        ?        0.000000       7.386227 
1 1 1 7   -6  2  o 113.6329 8.900298 311.3547       47.96675 311.3547       47.96675 0.000000       0.000000 113.6329 8.900298 ?        ?        0.000000       8.900298 
1 1 1 7   -6  3  o 317.5219 7.329523 2414.372       111.2648 2414.372       111.2648 0.000000       0.000000 317.5219 7.329523 ?        ?        0.000000       7.329523 
1 1 1 7   -6  4  o 237.0056 5.804636 1344.289       65.77215 1421.085       83.33688 1217.443       107.1042 243.5036 7.166322 225.0766 9.978119 18.42697       12.28491 
1 1 1 7   -6  5  o 259.9027 7.205273 1618.892       89.44382 1670.752       133.8224 1577.018       120.2488 263.6406 10.63901 256.2309 9.834402 7.409637       14.48806 
1 1 1 7   -6  6  o 441.8027 7.299595 4674.898       154.1826 4955.254       226.3197 4432.089       210.6202 454.4041 10.41770 429.7743 10.25064 24.62973       14.61520 
1 1 1 7   -6  7  o 362.1778 8.967701 3145.157       155.2785 3340.506       343.4888 3094.981       174.0817 370.6908 19.44977 358.9820 10.15333 11.70877       21.94046 
1 1 1 7   -6  8  o 384.9300 7.477541 3549.853       137.6097 3870.807       208.9286 3303.938       182.8811 401.3069 10.89972 370.8419 10.32511 30.46500       15.01372 
1 1 1 7   -6  9  o 426.5882 15.63115 4400.366       318.2534 4529.609       453.2519 4274.680       446.9705 430.3806 22.10220 417.9129 22.45340 12.46777       31.50655 
1 1 1 7   -6  10 o 603.3117 21.12539 8883.608       608.3929 8989.347       863.0379 8779.155       857.7813 600.5479 30.15544 593.3209 30.34052 7.227051       42.77730 
1 1 1 7   -6  11 f 363.2617 8.204753 3164.441       142.4930 3319.648       227.8594 3064.763       182.6036 370.9888 12.86636 356.9382 10.71272 14.05057       16.74233 
1 1 1 7   -6  12 o 162.9261 12.46528 643.1651       96.35860 475.6726       184.6186 705.8758       112.9662 135.7563 29.30493 170.4440 13.98594 -34.68771      32.47130 
1 1 1 7   -6  13 o 497.2963 17.93955 6022.828       425.8169 6184.884       607.8787 5866.692       596.6699 499.2581 25.55232 486.0647 25.76833 13.19342       36.28950 
1 1 1 7   -6  14 o 324.8485 10.08104 2540.009       156.3755 2744.278       311.3574 2471.102       180.8375 334.5560 19.55144 319.9896 11.84115 14.56641       22.85764 
1 1 1 7   -6  15 o 289.6358 13.23617 2031.532       182.7988 1918.647       269.3615 2127.907       248.8842 279.0142 20.33255 294.9485 17.73181 -15.93423      26.97832 
1 1 1 7   -6  16 o 220.1894 13.60432 1177.580       142.5133 1030.234       200.3615 1328.458       202.7482 203.6891 20.86968 232.4521 18.39361 -28.76308      27.81849 
1 1 1 7   -6  17 o 94.25471 25.07371 229.3959       114.9494 240.1156       143.9058 210.4988       191.0664 96.59991 28.91271 94.74568 33.63221 1.854233       44.35167 
1 1 1 7   -6  18 o 98.29483 25.72473 250.6681       122.2708 338.4812       154.7081 104.5464       199.5678 113.5811 28.53156 82.65083 33.15596 30.93030       43.74205 
1 1 1 7   -6  19 o 185.0037 16.65359 841.7525       145.7230 659.7171       206.1428 1023.579       206.0242 159.4519 28.06599 202.3199 21.63505 -42.86803      35.43692 
1 1 1 7   -6  20 o 125.1704 20.00066 395.0791       115.6623 465.2833       298.2830 382.6553       125.4798 130.0577 42.06612 122.4314 22.25704 7.626282       47.59132 
1 1 1 7   -6  21 o 258.2594 14.71293 1629.053       180.9103 1414.391       333.4141 1718.624       215.3716 232.4498 30.75568 264.2967 17.13705 -31.84688      35.20782 
1 1 1 7   -6  22 o 93.44165 22.35103 226.4895       98.50482 601.3206       190.4335 89.56074       115.0993 151.6230 27.27326 67.86823 25.75499 83.75472       37.51200 
1 1 1 7   -6  23 o 60.07261 25.79535 6.478248       133.0954 -43.67736      197.0618 48.54824       180.4799 67.52504 30.10717 73.01515 30.63608 -5.490112      42.95359 
1 1 1 7   -6  24 o 111.1174 23.41076 321.2510       120.4357 220.3995       358.0217 334.1195       127.8888 107.1342 43.88124 113.0438 24.38098 -5.909592      50.19956 
1 1 1 7   -6  25 o 319.6819 13.59063 2495.115       207.2402 2764.853       367.5541 2369.394       250.9304 329.8927 23.45755 309.6796 17.01392 20.21310       28.97810 
1 1 1 7   -6  26 o 131.6250 26.31111 461.9698       159.7792 597.3798       242.7574 358.4741       212.2307 144.7810 35.37716 112.7897 35.37233 31.99123       50.02744 
1 1 1 7   -6  27 o 67.19836 26.18376 85.55135       121.1793 355.1842       397.5398 57.93150       127.2345 115.3350 46.60963 64.31881 26.22978 51.01620       53.48326 
1 1 1 7   -6  28 f 133.6277 21.40734 464.3985       132.1473 164.2986       255.4734 574.0261       154.4091 90.56960 37.07889 148.2635 22.48845 -57.69386      43.36560 
1 1 1 7   -6  29 o 104.4495 25.90871 299.9917       128.7483 92.70970       264.1361 364.5869       147.4508 84.14680 36.23849 114.6202 27.29993 -30.47340      45.37086 
1 1 1 7   -6  30 o 85.36351 28.47742 203.1327       136.2788 369.2689       424.0006 183.9926       143.9150 108.7266 46.34775 82.45234 29.19655 26.27428       54.77730 
1 1 1 7   -6  31 o 205.4479 16.87998 1081.386       164.3380 1337.884       282.5544 950.2634       202.0226 216.9788 27.88172 187.2829 23.04840 29.69592       36.17484 
1 1 1 7   -6  32 o 74.29925 28.79486 141.2468       145.9408 649.3398       359.4853 40.98160       159.6926 124.5786 45.86689 64.20125 27.91160 60.37732       53.69198 
1 1 1 7   -6  33 o 122.9752 24.77306 440.5697       140.6076 567.8586       229.9536 364.5593       177.6975 126.5038 36.19279 104.4038 32.30857 22.10002       48.51558 
1 1 1 7   -5  0  o 290.0533 7.087537 2013.937       98.28371 2013.937       98.28371 0.000000       0.000000 290.0533 7.087537 ?        ?        0.000000       7.087537 
1 1 1 7   -5  1  o 329.4823 7.188352 2598.770       113.2321 2598.770       113.2321 0.000000       0.000000 329.4823 7.188352 ?        ?        0.000000       7.188352 
1 1 1 7   -5  2  o 605.2279 10.78108 8784.545       311.9532 8784.545       311.9532 0.000000       0.000000 605.2279 10.78108 ?        ?        0.000000       10.78108 
1 1 1 7   -5  3  o 277.3873 7.119279 1843.106       94.33479 1843.106       94.33479 0.000000       0.000000 277.3873 7.119279 ?        ?        0.000000       7.119279 
1 1 1 7   -5  4  o 384.3764 5.957199 3535.294       109.4730 3377.832       135.6861 3828.939       185.2933 375.6047 7.556067 399.6925 9.696733 -24.08774      12.29312 
1 1 1 7   -5  5  o 229.5161 7.338291 1262.446       80.41885 1265.929       121.5720 1259.736       107.2319 229.4556 11.11528 229.0392 9.815536 0.4163361      14.82883 
1 1 1 7   -5  6  o 310.9619 7.246044 2315.024       107.7250 2425.283       161.7294 2227.095       144.4269 317.8223 10.65887 304.6352 9.929796 13.18710       14.56751 
1 1 1 7   -5  7  o 242.2193 7.659328 1406.336       88.58528 1471.401       140.1077 1363.003       114.3402 247.2957 11.88531 238.2150 10.06238 9.080688       15.57280 
1 1 1 7   -5  8  o 506.0230 7.721967 6132.294       186.8128 6016.747       275.0450 6231.249       254.5320 500.6709 11.49061 509.6984 10.44530 -9.027435      15.52863 
1 1 1 7   -5  9  o 249.9424 8.851379 1499.045       105.6022 1569.469       198.1801 1471.120       124.7953 254.6039 16.36792 247.3982 10.57539 7.205658       19.48711 
1 1 1 7   -5  10 o 598.1160 8.177274 8571.782       233.8311 8338.931       347.1440 8765.178       316.3687 589.0560 12.32664 604.2623 10.95115 -15.20630      16.48859 
1 1 1 7   -5  11 o 392.4498 9.667521 3694.800       181.3876 4065.459       405.1935 3601.906       202.8478 408.5343 20.81417 387.1342 10.97081 21.40009       23.52846 
1 1 1 7   -5  12 o 90.95921 13.58917 203.5576       57.28543 345.8979       112.6128 153.8655       66.53767 117.5959 20.79062 78.16740 18.15333 39.42853       27.60060 
1 1 1 7   -5  13 f 191.3051 10.61161 881.8915       96.67433 953.6568       168.7037 846.8032       117.9637 197.5185 18.06502 187.0214 13.27954 10.49715       22.42077 
1 1 1 7   -5  14 o 538.9325 10.51428 6980.021       270.9082 7598.037       714.1169 6876.126       292.7950 553.4947 27.06865 534.6416 11.45493 18.85309       29.39264 
1 1 1 7   -5  15 o 102.3226 18.66563 262.3988       87.94748 377.4677       144.8716 195.2421       110.6749 121.4219 25.75535 87.79475 25.10585 33.62711       35.96723 
1 1 1 7   -5  16 o 58.04150 24.98169 -3.563455      125.3872 -66.53110      236.0170 21.19697       148.0007 73.82756 32.93098 65.56886 27.64080 8.258705       42.99376 
1 1 1 7   -5  17 o 150.3856 21.13832 565.5601       147.7903 797.3479       284.5652 479.9481       172.9434 173.2859 35.54219 136.3310 27.48403 36.95488       44.92905 
1 1 1 7   -5  18 o 56.97950 24.35467 3.898727       117.6420 78.73723       168.2448 -67.69599      164.5582 75.41924 30.37748 60.23377 27.13218 15.18547       40.73018 
1 1 1 7   -5  19 o 257.7116 13.59507 1612.393       166.9109 1967.492       263.8821 1375.579       215.4959 282.4740 19.66269 236.1244 19.25635 46.34959       27.52142 
1 1 1 7   -5  20 o 66.50623 28.45665 10.55565       160.9145 -208.3767      307.3647 93.21754       188.8651 75.76923 35.21020 79.88708 32.18236 -4.117844      47.70181 
1 1 1 7   -5  21 o 197.5743 16.97512 960.5380       158.7909 774.3243       346.9761 1009.870       178.5900 165.2268 43.38042 202.0152 18.70351 -36.78841      47.24068 
1 1 1 7   -5  22 o 301.1096 14.01461 2207.140       201.1969 1994.972       328.2422 2334.828       254.6410 280.9595 24.68744 308.2536 17.34874 -27.29410      30.17365 
1 1 1 7   -5  23 o 134.8883 22.15462 464.2195       137.9162 737.8743       356.3164 415.9971       149.5749 158.8741 44.92024 126.2663 25.65387 32.60779       51.72958 
1 1 1 7   -5  24 o 319.2857 23.98050 2582.289       363.3800 2582.289       363.3800 0.000000       0.000000 319.2857 23.98050 ?        ?        0.000000       23.98050 
1 1 1 7   -5  25 f 288.7106 14.90404 2040.842       205.0230 2403.754       327.7372 1807.506       262.7938 308.9669 22.33818 268.7625 20.60935 40.20438       30.39308 
1 1 1 7   -5  26 o 266.9018 17.38143 1762.650       220.5853 2184.148       404.4941 1584.244       263.1599 288.2531 29.77973 250.3016 22.22186 37.95151       37.15701 
1 1 1 7   -5  27 o 222.8132 16.04672 1228.727       169.7919 1323.444       286.2892 1177.334       210.8837 224.4158 27.24068 215.6652 20.70702 8.750549       34.21747 
1 1 1 7   -5  28 o 71.25802 27.69573 99.59691       135.3097 407.3114       385.3142 56.31226       144.5134 119.3732 46.63932 67.03294 27.71106 52.34026       54.25061 
1 1 1 7   -5  29 o 103.3128 26.02049 290.3591       128.4324 358.6771       227.7370 258.4983       155.5231 111.1009 36.80590 96.79774 30.26885 14.30318       47.65373 
1 1 1 7   -5  30 o 102.0191 26.92173 287.9507       133.1964 169.3236       235.6436 343.6475       161.4652 88.49080 35.84032 110.1055 29.90577 -21.61471      46.67851 
1 1 1 7   -5  31 o 60.55577 25.65320 36.90851       128.5115 75.12193       230.7613 19.72893       154.7253 77.72419 33.67294 63.05240 27.44238 14.67179       43.43905 
1 1 1 7   -5  32 o 87.28497 27.43752 219.1793       127.6206 258.7167       209.8489 195.9737       160.7680 93.00889 34.88987 83.77000 30.70140 9.238884       46.47449 
1 1 1 7   -5  33 o 57.54611 25.62064 -1.660893      142.1717 156.7330       360.9297 -30.75101      154.6771 88.43182 39.97584 57.10955 25.95657 31.32228       47.66352 
1 1 1 7   -5  34 o 48.09138 22.48262 -73.26409      128.3543 30.89332       217.8578 -128.6410      158.8519 68.35140 30.96245 50.08103 23.88417 18.27037       39.10405 
1 1 1 7   -4  0  o 136.4172 11.09854 449.1587       71.75932 449.1587       71.75932 0.000000       0.000000 136.4172 11.09854 ?        ?        0.000000       11.09854 
1 1 1 7   -4  1  o 661.8195 7.801549 10486.28       246.8475 10486.28       246.8475 0.000000       0.000000 661.8195 7.801549 ?        ?        0.000000       7.801549 
1 1 1 7   -4  2  o 501.8212 7.318277 6027.810       175.5764 6027.810       175.5764 0.000000       0.000000 501.8212 7.318277 ?        ?        0.000000       7.318277 
1 1 1 7   -4  3  o 471.9164 7.257914 5330.681       163.7515 5330.681       163.7515 0.000000       0.000000 471.9164 7.257914 ?        ?        0.000000       7.257914 
1 1 1 7   -4  4  o 360.2404 7.102236 3106.099       122.3196 3083.586       176.9125 3126.720       169.3099 358.5309 10.33182 361.0931 9.816525 -2.562225      14.25169 
1 1 1 7   -4  5  o 111.3327 8.190736 298.3963       43.29155 294.5779       74.71210 300.3264       53.11773 109.7660 14.59850 111.4935 10.07366 -1.727516      17.73682 
1 1 1 7   -4  6  o 372.3012 7.233335 3317.812       128.7483 3499.726       191.4450 3167.604       173.9630 381.9451 10.49413 363.4143 10.02216 18.53085       14.51105 
1 1 1 7   -4  7  f 52.24488 13.95868 67.85188       35.52893 123.3307       90.66164 57.78593       38.61781 72.18026 23.17770 49.02521 15.04222 23.15505       27.63104 
1 1 1 7   -4  8  o 197.5161 8.570179 936.1656       80.73576 956.6457       138.1896 925.5523       99.47954 198.9487 14.63101 196.1860 10.64603 2.762665       18.09432 
1 1 1 7   -4  9  o 333.0403 9.164207 2659.563       145.7763 2836.192       304.3408 2606.972       166.0663 342.3048 18.66748 329.5626 10.55348 12.74222       21.44413 
1 1 1 7   -4  10 o 283.8882 9.144144 1933.159       123.9458 2081.140       242.9467 1881.090       144.1114 293.2775 17.40530 279.8448 10.79164 13.43274       20.47935 
1 1 1 7   -4  11 o 382.5499 9.617031 3510.343       175.7491 3938.097       389.3751 3400.902       196.9528 402.8757 20.28092 376.3417 10.95807 26.53403       23.05201 
1 1 1 7   -4  12 o 332.4929 9.002589 2651.656       142.9744 2868.615       235.7735 2525.474       179.8069 344.9586 14.32736 324.1101 11.62276 20.84845       18.44889 
1 1 1 7   -4  13 o 94.12309 16.33175 219.8041       70.82796 580.4501       180.0254 153.7563       77.04108 152.0824 25.67277 78.18169 20.39962 73.90073       32.79079 
1 1 1 7   -4  14 o 94.11179 19.65777 222.7542       85.59054 268.5209       124.4977 181.7365       117.8614 102.6797 25.48193 85.80093 26.26984 16.87875       36.59827 
1 1 1 7   -4  15 o 448.0877 10.83115 4824.315       232.0310 5187.188       520.4172 4734.284       259.2221 459.5969 23.76532 443.4070 12.23987 16.18991       26.73210 
1 1 1 7   -4  16 o 75.99176 28.75636 107.8881       143.2478 266.9132       254.9117 34.49217       173.1780 108.1176 38.79505 71.96883 30.09061 36.14878       49.09685 
1 1 1 7   -4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -4  18 o 313.1110 13.03053 2370.982       194.6340 1764.634       326.1181 2706.453       242.5725 265.3253 26.04439 333.8699 15.23710 -68.54459      30.17415 
1 1 1 7   -4  19 o 371.4553 15.00875 3351.373       265.9893 3520.595       381.9825 3192.079       370.6066 377.7745 21.23510 359.4350 21.66735 18.33954       30.33815 
1 1 1 7   -4  20 o 223.0766 15.92448 1215.984       168.7182 1580.941       254.5028 929.8380       225.3545 252.4771 21.28243 191.6895 25.19978 60.78760       32.98440 
1 1 1 7   -4  21 o 109.7939 24.04373 310.7315       122.7049 822.0784       344.0957 236.2328       131.3396 171.7734 42.20737 95.57612 27.35534 76.19730       50.29689 
1 1 1 7   -4  22 o 77.02159 27.90534 130.0682       132.2736 42.60431       204.5255 192.9542       173.4245 76.90816 32.46091 90.53627 32.05124 -13.62811      45.61790 
1 1 1 7   -4  23 o 200.4116 20.75003 1002.831       195.9425 917.4094       366.4339 1037.036       231.8780 179.8040 43.17333 202.1981 24.48511 -22.39407      49.63323 
1 1 1 7   -4  24 o 450.1399 12.94444 4918.997       278.2838 5344.852       561.5507 4780.370       320.3923 459.1095 25.68617 442.4848 15.16764 16.62469       29.83013 
1 1 1 7   -4  25 o 124.2178 21.05002 393.4666       120.5507 419.2879       208.0261 380.4111       147.9197 123.6418 34.09264 120.1652 26.46449 3.476570       43.15875 
1 1 1 7   -4  26 o 125.8027 21.22439 404.3546       123.1161 220.7384       209.3523 501.4280       152.2202 95.88055 35.05147 139.4135 23.68455 -43.53295      42.30323 
1 1 1 7   -4  27 o 152.7515 18.59074 585.0482       132.9732 457.6758       224.8355 653.5679       164.9055 128.0215 35.49854 160.0893 22.13773 -32.06775      41.83569 
1 1 1 7   -4  28 o 170.2431 17.68352 724.8798       141.8340 618.9989       239.4697 782.0934       176.0318 148.5648 34.39467 175.1351 21.47246 -26.57031      40.54701 
1 1 1 7   -4  29 o 212.5564 15.96862 1122.328       161.0880 1447.405       265.1526 932.1533       202.8057 236.3856 23.78507 189.9316 22.78896 46.45395       32.94034 
1 1 1 7   -4  30 o 142.7226 20.88420 526.7000       138.2843 618.5774       238.1835 479.9842       169.8398 146.1511 34.62324 132.5175 27.70082 13.63364       44.34077 
1 1 1 7   -4  31 o 102.0222 32.07170 297.3602       174.3693 -230.7993      242.4317 863.4283       250.9812 61.58879 29.40919 175.1714 31.10837 -113.5826      42.80924 
1 1 1 7   -4  32 o 65.11138 28.64601 12.64674       172.6560 -165.8244      239.7833 204.8107       248.8118 63.22527 29.91806 90.44911 36.75668 -27.22384      47.39351 
1 1 1 7   -4  33 o 68.38651 30.63519 8.699306       206.6009 306.2910       424.3131 -83.77735      236.5332 101.2602 44.71391 66.12280 30.78170 35.13737       54.28487 
1 1 1 7   -4  34 o 79.87838 28.95477 182.1782       142.4325 56.53688       437.0980 197.1043       150.6556 86.87157 40.88932 82.28525 29.78562 4.586319       50.58774 
1 1 1 7   -4  35 o 91.93225 29.84027 272.2850       150.0178 433.3980       449.8818 252.1286       159.1255 98.28954 44.51192 88.20618 30.74273 10.08336       54.09645 
1 1 1 7   -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  3  o 160.3607 7.007316 616.5912       53.59302 616.5912       53.59302 0.000000       0.000000 160.3607 7.007316 ?        ?        0.000000       7.007316 
1 1 1 7   -3  4  o 430.6605 10.28584 4444.525       211.7791 4444.525       211.7791 0.000000       0.000000 430.6605 10.28584 ?        ?        0.000000       10.28584 
1 1 1 7   -3  5  o 528.8477 7.406693 6694.252       187.2679 6786.100       269.8026 6608.870       260.1354 532.1016 10.60579 525.1390 10.36136 6.962585       14.82702 
1 1 1 7   -3  6  o 384.1777 7.238142 3532.526       132.9437 3614.286       195.2590 3461.872       181.5140 388.1860 10.53087 379.9702 10.00069 8.215851       14.52284 
1 1 1 7   -3  7  o 495.6230 7.479053 5879.883       177.2174 6125.953       259.2568 5664.064       242.7986 505.5266 10.72699 486.1299 10.44685 19.39670       14.97348 
1 1 1 7   -3  8  o 639.5439 7.864213 9792.189       240.4551 10272.17       350.1822 9363.982       330.7581 654.5207 11.19083 624.9380 11.07045 29.58270       15.74133 
1 1 1 7   -3  9  o 226.0651 8.646810 1225.719       93.28169 1235.757       151.3144 1219.566       118.4720 226.3775 14.05026 225.2608 11.03431 1.116730       17.86521 
1 1 1 7   -3  10 o 558.0427 19.49282 7526.143       519.2579 7734.776       736.8958 7320.378       731.8139 562.7349 27.47314 547.1621 28.06920 15.57281       39.27663 
1 1 1 7   -3  11 o 1121.512 13.67239 30217.82       733.0890 30250.66       760.0826 29779.93       2775.443 1121.913 14.17077 1073.423 54.25798 48.48926       56.07797 
1 1 1 7   -3  12 o 55.52777 21.17515 52.01826       78.04066 13.53667       123.3783 77.68294       100.7581 60.15938 25.29155 64.78023 24.20157 -4.620846      35.00540 
1 1 1 7   -3  13 o 323.2263 13.02775 2514.117       200.9064 2513.873       279.8865 2514.376       288.5612 322.1870 18.24501 322.0863 18.82149 0.1007385      26.21314 
1 1 1 7   -3  14 o 646.2784 22.40374 10159.66       691.1802 10450.13       983.7349 9876.463       971.3359 649.8546 31.75929 631.3680 32.28665 18.48651       45.28885 
1 1 1 7   -3  15 o 69.41776 24.85513 101.1803       104.5724 262.7499       162.3692 -13.33774      136.6975 102.3942 30.72648 59.93328 25.94107 42.46091       40.21264 
1 1 1 7   -3  16 o 419.1996 11.28986 4225.566       226.0593 4055.115       473.6099 4275.856       257.2556 406.2383 24.49936 421.3392 12.78579 -15.10092      27.63503 
1 1 1 7   -3  17 o 543.1796 19.52836 7183.758       506.3027 7533.130       725.2481 6851.619       707.1356 551.2894 27.60467 525.2512 28.26374 26.03815       39.50769 
1 1 1 7   -3  18 o 305.9681 15.45512 2270.351       225.3451 1987.131       350.8106 2469.306       294.0281 282.3485 26.29048 317.8253 19.44354 -35.47681      32.69924 
1 1 1 7   -3  19 o 129.5544 33.04732 441.5364       205.3145 441.5364       205.3145 0.000000       0.000000 129.5544 33.04732 ?        ?        0.000000       33.04732 
1 1 1 7   -3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -3  26 o 98.12860 27.38272 254.3006       133.3210 94.21386       204.9392 371.7574       175.5442 81.23644 33.22828 117.3652 30.87574 -36.12880      45.35890 
1 1 1 7   -3  27 o 57.58200 25.83009 -48.53774      147.4180 -251.0193      339.9321 -1.636663      163.6029 76.87070 36.14373 65.09352 28.27584 11.77718       45.89001 
1 1 1 7   -3  28 o 151.2493 21.20321 581.6759       149.1161 603.4641       232.8164 566.5209       194.1695 148.0011 33.66546 145.7256 28.89104 2.275406       44.36277 
1 1 1 7   -3  29 o 61.35531 27.08634 -20.43695      155.6143 251.8848       389.3166 -72.21878      169.7659 109.3781 45.37399 59.72396 27.16373 49.65413       52.88352 
1 1 1 7   -3  30 o 262.5222 18.05354 1727.088       225.2083 1593.427       327.1404 1847.494       310.4961 243.9225 28.59488 266.3923 24.65941 -22.46980      37.75916 
1 1 1 7   -3  31 o 51.23272 24.79213 -253.9993      186.0437 -465.0729      248.0719 17.31251       281.2516 53.65096 26.50560 81.43594 36.15908 -27.78498      44.83331 
1 1 1 7   -3  32 o 65.50561 27.13937 58.24250       139.0319 -70.34504      263.7810 107.7062       163.6016 72.91041 33.42595 74.75633 30.00931 -1.845924      44.92051 
1 1 1 7   -3  33 o 66.15525 27.55460 65.60983       144.4033 56.98946       420.6835 66.76120       153.7447 91.02044 41.90565 67.56428 28.30768 23.45616       50.57083 
1 1 1 7   -3  34 o 87.67786 30.06209 225.7032       151.9079 226.8121       438.9659 225.5524       161.9120 96.81580 43.89397 87.65787 30.97498 9.157936       53.72271 
1 1 1 7   -3  35 o 113.1256 37.30912 453.7512       234.0883 548.2856       457.7458 420.2728       272.4026 109.3282 47.39499 106.2780 39.77531 3.050278       61.87374 
1 1 1 7   -3  36 o 74.85995 29.91232 158.6142       161.7728 635.1228       788.9566 137.7006       165.2847 98.98457 48.58127 72.58125 29.78174 26.40332       56.98326 
1 1 1 7   -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -2  4  f 98.00508 7.119718 231.0787       33.13202 216.0228       49.16331 243.6061       44.84533 94.28098 11.12082 100.4049 9.453551 -6.123962      14.59596 
1 1 1 7   -2  5  o 266.2281 7.014098 1697.370       89.19810 1609.177       128.5026 1779.375       123.9129 258.9268 10.40187 272.3820 9.530138 -13.45529      14.10753 
1 1 1 7   -2  6  o 402.8150 7.226060 3883.347       139.1604 3667.156       199.0871 4089.893       194.5947 391.0245 10.65948 413.1778 9.851124 -22.15326      14.51445 
1 1 1 7   -2  7  o 519.2009 7.561580 6452.354       187.6966 5970.843       268.4109 6913.143       262.5715 499.0562 11.24974 537.1292 10.22493 -38.07291      15.20216 
1 1 1 7   -2  8  o 194.1811 7.551520 903.8958       69.97148 962.1590       104.1948 856.0383       94.43301 200.0519 10.93579 188.7066 10.50866 11.34531       15.16652 
1 1 1 7   -2  9  o 153.2413 8.510190 564.0278       62.10328 521.0023       94.19005 597.1171       82.60119 146.6941 13.58453 157.4389 11.04408 -10.74477      17.50746 
1 1 1 7   -2  10 o 101.1796 9.776208 247.5522       46.70195 270.3253       69.61005 228.9108       62.97964 105.1483 14.21061 96.63605 14.04246 8.512207       19.97829 
1 1 1 7   -2  11 o 235.5081 8.981715 1330.406       100.9431 1369.063       177.7366 1312.000       122.6419 238.0826 15.70264 233.6685 11.00913 4.414032       19.17743 
1 1 1 7   -2  12 o 690.1885 8.317919 11407.31       274.4674 11238.01       394.7719 11565.72       381.8610 684.3790 12.06539 694.4036 11.50231 -10.02460      16.66963 
1 1 1 7   -2  13 o 453.7637 16.71419 4965.465       361.9768 4898.920       513.7604 5031.060       510.0843 448.6158 24.04180 454.8100 23.53877 -6.194244      33.64642 
1 1 1 7   -2  14 o 293.9556 9.798443 2073.499       137.5117 2113.990       252.6460 2056.454       163.9192 295.4962 17.96842 292.4993 11.74575 2.996826       21.46688 
1 1 1 7   -2  15 o 357.6264 13.72105 3079.388       234.1633 3479.394       335.0328 2697.371       327.4124 379.0832 18.54232 333.1280 20.65942 45.95520       27.76021 
1 1 1 7   -2  16 o 233.2996 10.49204 1308.609       116.7265 1275.912       189.1345 1328.725       148.3492 229.2072 17.38949 234.6873 13.27583 -5.480133      21.87789 
1 1 1 7   -2  17 f 319.8334 11.96972 2462.317       182.7045 2486.524       295.3784 2447.316       232.5222 319.6127 19.42233 318.1523 15.33209 1.460449       24.74469 
1 1 1 7   -2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -2  19 o 143.8161 16.54313 507.3446       111.6759 303.8289       179.8279 635.1042       142.4803 108.9208 32.25253 160.5474 18.92607 -51.62666      37.39547 
1 1 1 7   -2  20 o 127.6500 18.26298 404.2201       108.2831 467.9740       178.1407 366.8603       136.3679 134.5957 28.56845 119.8582 24.62212 14.73755       37.71479 
1 1 1 7   -2  21 o 157.9098 18.56499 616.5299       137.4818 372.8436       291.8718 686.0142       155.8548 121.1659 41.66581 166.2553 20.00994 -45.08936      46.22161 
1 1 1 7   -2  22 o 256.6381 14.04829 1599.972       171.7092 1848.756       260.4247 1408.638       228.3847 273.7392 20.03808 238.7005 20.20221 35.03867       28.45442 
1 1 1 7   -2  23 o 165.6034 19.11334 680.7715       148.5528 714.6852       214.6371 649.5895       205.8114 166.4343 27.96526 158.4098 28.20993 8.024490       39.72223 
1 1 1 7   -2  24 o 144.5161 33.91906 561.5468       230.3045 376.9290       342.8352 713.3727       310.9008 122.3102 44.83218 160.1156 40.57165 -37.80543      60.46472 
1 1 1 7   -2  25 o 339.5045 16.10381 2819.253       260.6410 2768.495       380.3631 2864.185       357.8686 331.7939 24.14369 338.7773 22.21797 -6.983429      32.81091 
1 1 1 7   -2  26 f 210.5523 20.91457 1110.334       207.7513 1156.230       266.1963 1038.820       332.2821 211.8731 26.88396 194.6623 37.05722 17.21086       45.78193 
1 1 1 7   -2  27 o 153.9064 26.41023 617.6248       187.3340 562.8270       383.8321 634.7595       214.6335 138.6246 47.77650 154.2302 30.18966 -15.60558      56.51556 
1 1 1 7   -2  28 o 168.6390 21.13745 719.7052       166.6859 555.6721       252.3140 846.7330       222.0369 140.4827 37.04460 180.4303 26.53154 -39.94751      45.56561 
1 1 1 7   -2  29 o 153.9408 28.54559 630.0744       202.3541 769.3935       249.6128 362.9917       345.6086 168.3587 32.18425 117.6077 44.62932 50.75107       55.02365 
1 1 1 7   -2  30 o 152.4722 37.28857 671.6566       269.5228 1011.586       416.2514 426.2513       353.6740 178.5453 47.81190 121.6287 45.36185 56.91662       65.90657 
1 1 1 7   -2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -2  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -2  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -2  34 o 88.64552 41.49165 -0.1711980E-10 439.3539 -0.1711980E-10 439.3539 0.000000       0.000000 88.64552 41.49165 ?        ?        0.000000       41.49165 
1 1 1 7   -2  35 o 177.5256 28.07371 912.8289       230.3558 916.3021       621.7368 912.2763       248.0061 126.9563 55.13524 174.4083 30.87272 -47.45206      63.19035 
1 1 1 7   -2  36 o 73.92940 31.56630 116.5730       197.2533 22.26568       233.5070 351.5391       368.5785 69.77722 31.78335 96.59848 42.19345 -26.82126      52.82489 
1 1 1 7   -2  37 o 82.97327 36.35451 218.0383       275.4958 255.3593       411.3748 187.6884       370.9703 87.14520 40.57693 83.41319 38.73495 3.732010       56.09710 
1 1 1 7   -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   -1  4  o 262.1646 6.768497 1646.015       84.76396 1577.385       119.9317 1714.514       119.8170 256.3722 9.802927 267.3416 9.388979 -10.96942      13.57388 
1 1 1 7   -1  5  o 228.2172 6.904453 1247.645       75.24650 1121.413       106.7578 1372.267       106.0747 216.0544 10.36565 239.1573 9.294963 -23.10287      13.92276 
1 1 1 7   -1  6  o 136.8659 7.272705 449.6209       47.41740 460.8594       69.27646 439.7148       65.04046 138.2629 10.56015 135.0805 10.14537 3.182465       14.64395 
1 1 1 7   -1  7  o 218.5990 7.257791 1144.952       75.74578 1131.116       109.9520 1157.450       104.4974 216.9820 10.63152 219.5637 9.980995 -2.581711      14.58251 
1 1 1 7   -1  8  o 475.8368 17.19095 5456.077       390.4379 5384.229       552.7406 5527.625       551.5862 470.7096 24.64767 477.0721 24.26328 -6.362488      34.58633 
1 1 1 7   -1  9  o 329.9430 8.770123 2608.666       138.2190 2768.530       161.7559 2176.102       266.0792 339.7903 9.968055 299.9713 18.64555 39.81900       21.14282 
1 1 1 7   -1  10 o 102.6868 10.87443 255.5531       52.57594 269.5172       81.08011 245.4211       69.06419 104.5592 16.78777 99.99495 14.90097 4.564247       22.44700 
1 1 1 7   -1  11 o 454.8803 9.751262 4957.260       212.0637 5061.037       235.9209 4520.593       483.9396 459.5079 10.73903 431.4501 23.55061 28.05780       25.88355 
1 1 1 7   -1  12 o 142.9373 10.01610 491.9617       68.01350 455.2935       98.04617 525.9729       94.42710 136.7921 15.25116 147.3945 13.55164 -10.60233      20.40208 
1 1 1 7   -1  13 o 230.3640 10.34200 1274.482       113.6106 1155.130       147.1222 1450.793       178.8140 218.8290 14.13824 245.1663 15.33247 -26.33725      20.85604 
1 1 1 7   -1  14 o 276.7139 12.08265 1840.829       159.4606 1910.680       227.6214 1773.510       223.4589 281.1529 17.01373 270.7739 17.35299 10.37900       24.30212 
1 1 1 7   -1  15 o 706.3016 24.26542 12133.43       818.1649 12627.56       1158.352 11641.50       1155.772 714.7024 33.99803 685.2186 35.40052 29.48376       49.08221 
1 1 1 7   -1  16 o 376.1705 14.51854 3408.864       260.6153 3676.456       370.9406 3148.017       366.2358 389.3555 19.99431 359.8323 21.38531 29.52322       29.27634 
1 1 1 7   -1  17 o 240.5349 11.86382 1392.862       136.0093 1424.719       196.5060 1363.566       188.4399 242.3745 17.06736 237.1581 16.72713 5.216309       23.89752 
1 1 1 7   -1  18 o 437.9998 12.47542 4616.877       260.9725 5065.326       516.3162 4462.993       302.4522 454.8304 23.82732 430.0626 14.73189 24.76782       28.01374 
1 1 1 7   -1  19 o 162.0882 18.48586 645.1719       140.6938 712.1945       184.9231 553.0518       216.7993 169.0999 23.50872 146.3122 31.89540 22.78770       39.62293 
1 1 1 7   -1  20 o 247.1853 13.96717 1479.043       164.3875 1553.660       241.6546 1414.773       224.2752 251.6671 20.25541 240.2531 19.69840 11.41408       28.25435 
1 1 1 7   -1  21 o 313.4672 14.49975 2381.196       216.7120 2526.667       314.9076 2250.323       298.6891 320.7219 20.64712 302.5536 20.77556 18.16827       29.29040 
1 1 1 7   -1  22 o 208.5576 14.43170 1058.085       143.0096 1605.151       216.5407 634.8919       190.4536 256.0294 17.80142 157.8068 26.15946 98.22264       31.64187 
1 1 1 7   -1  23 o 158.5620 24.65313 638.7062       180.8172 599.0335       284.1826 665.6926       234.3816 147.9223 39.45795 159.0414 31.93551 -11.11917      50.76226 
1 1 1 7   -1  24 o 148.5880 17.54314 546.4234       122.2233 634.5523       190.4243 484.6815       159.3871 157.2531 26.25378 137.3853 25.19454 19.86781       36.38717 
1 1 1 7   -1  25 o 141.7146 18.59889 500.5650       122.9729 11.64831       189.6746 855.1021       161.5186 71.59484 30.76922 185.8737 18.41784 -114.2789      35.86031 
1 1 1 7   -1  26 o 308.4164 14.32884 2317.175       210.7017 2277.462       318.6638 2348.025       280.8584 301.8256 22.23970 308.2203 19.15444 -6.394653      29.35126 
1 1 1 7   -1  27 o 317.3689 15.32472 2464.665       231.8355 2479.906       346.0835 2452.259       312.2505 313.7162 23.23971 313.4516 20.95687 0.2645874      31.29336 
1 1 1 7   -1  28 o 168.7280 17.30239 707.2350       137.5980 627.9393       215.3673 761.9282       178.8636 153.0746 30.49996 173.2194 22.10085 -20.14484      37.66557 
1 1 1 7   -1  29 o 81.95510 29.95238 153.3635       152.8562 322.7964       195.7675 -111.2637      244.6578 109.0525 33.93852 70.45638 32.25997 38.59615       46.82444 
1 1 1 7   -1  30 f 132.9212 24.98419 463.1999       152.9426 417.9954       345.2833 474.2341       170.5907 122.2498 44.96161 133.3060 27.67353 -11.05618      52.79555 
1 1 1 7   -1  31 o 128.5025 22.88494 431.8252       135.4399 457.1651       225.7666 417.5781       169.2858 125.7785 35.82175 123.3222 29.17208 2.456299       46.19748 
1 1 1 7   -1  32 o 73.08910 30.00138 82.42343       167.8121 24.51210       218.6581 165.4155       261.7594 74.48426 32.51700 91.20975 37.45791 -16.72549      49.60293 
1 1 1 7   -1  33 f 133.7365 33.42101 520.7506       213.0720 677.0258       460.8770 478.2685       240.2940 136.7848 51.62062 125.5435 37.30980 11.24133       63.69230 
1 1 1 7   -1  34 o 77.49179 29.01378 149.1084       144.9722 97.56979       215.7583 191.5285       195.7433 78.29877 33.20757 86.38427 33.38334 -8.085495      47.08705 
1 1 1 7   -1  35 o 106.7233 34.07541 361.9370       196.1665 445.9378       232.4930 154.3512       365.4827 115.6351 37.11471 90.48602 40.62411 25.14905       55.02563 
1 1 1 7   -1  36 o 85.94507 34.17271 214.1551       210.1109 591.6237       404.4572 74.63673       245.8940 115.9585 46.95860 75.90888 33.75135 40.04958       57.82961 
1 1 1 7   -1  37 o 122.6300 36.06483 542.7968       225.4892 566.5231       266.1852 482.5058       424.3212 119.1645 39.80055 100.7668 44.59495 18.39767       59.77285 
1 1 1 7   0   0  o 167.8241 6.738874 675.3333       53.95924 0.000000       0.000000 675.3333       53.95924 ?        ?        167.8241 6.738874 0.000000       6.738874 
1 1 1 7   0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0   3  o 46.98376 11.86982 55.07279       26.66737 0.000000       0.000000 55.07279       26.66737 ?        ?        46.98376 11.86982 0.000000       11.86982 
1 1 1 7   0   4  f 119.7230 6.989710 344.3418       39.83385 342.7067       54.63698 346.1970       58.19870 119.1666 9.673222 119.7043 10.26850 -0.5377350     14.10721 
1 1 1 7   0   5  o 236.6568 6.920218 1341.921       78.21327 1351.127       109.5508 1332.350       111.7011 237.2052 9.680464 235.5191 9.942623 1.686096       13.87686 
1 1 1 7   0   6  o 281.3978 8.434315 1898.452       113.3414 1777.582       216.3127 1944.195       133.0709 271.0878 16.77243 284.6260 9.793716 -13.53827      19.42244 
1 1 1 7   0   7  o 239.2940 7.239006 1371.991       82.72171 1430.487       116.3910 1312.284       117.5906 244.0943 9.994772 233.7145 10.55116 10.37979       14.53349 
1 1 1 7   0   8  o 666.3732 10.39743 10643.50       331.2469 10738.81       351.5142 9887.719       989.8339 669.2453 10.98624 633.9216 32.77142 35.32367       34.56390 
1 1 1 7   0   9  o 243.8289 9.006137 1425.839       104.8058 1525.276       184.9571 1378.810       127.1978 251.4232 15.46191 239.5588 11.13651 11.86440       19.05499 
1 1 1 7   0   10 o 634.0419 21.90429 9726.494       662.9836 10131.09       938.0775 9322.721       937.1241 643.4814 30.58010 616.5933 31.89840 26.88818       44.18880 
1 1 1 7   0   11 o 215.0807 8.103183 1109.028       83.17410 1075.895       114.8784 1145.532       120.5805 211.5343 11.40137 218.2706 11.59671 -6.736328      16.26269 
1 1 1 7   0   12 o 301.3633 12.59541 2182.738       181.0725 2038.586       256.7195 2325.451       255.4356 290.2868 18.59573 310.3557 17.28352 -20.06891      25.38742 
1 1 1 7   0   13 o 415.7703 10.15876 4142.440       201.9308 4415.502       446.2743 4072.140       226.4373 426.7887 21.94529 411.9244 11.50927 14.86426       24.78021 
1 1 1 7   0   14 o 525.9266 10.61788 6630.433       266.9754 6698.176       293.2202 6302.014       645.6146 528.4630 11.60569 508.3290 26.65881 20.13403       29.07549 
1 1 1 7   0   15 o 406.5090 10.21094 3963.377       198.2898 3697.607       412.7558 4043.117       226.0880 390.1947 22.21785 410.3930 11.53454 -20.19830      25.03355 
1 1 1 7   0   16 o 379.6697 10.97670 3460.136       199.0352 3441.103       233.9751 3509.975       378.6075 378.3153 12.95534 380.3457 20.90138 -2.030426      24.59082 
1 1 1 7   0   17 o 135.8800 13.55094 448.1056       86.85798 724.7551       156.5202 325.0021       104.4097 172.1154 19.35656 114.3493 19.81615 57.76611       27.70119 
1 1 1 7   0   18 o 327.8138 13.19499 2587.934       206.3747 2635.104       328.6445 2557.223       265.1787 328.9483 21.00708 325.0395 17.12494 3.908813       27.10279 
1 1 1 7   0   19 o 435.5725 16.85671 4591.797       350.3652 4728.029       500.7618 4461.153       490.3837 439.2749 23.93483 426.5707 24.14423 12.70419       33.99735 
1 1 1 7   0   20 o 182.8786 17.62782 817.6019       152.2163 960.1436       198.1549 612.4108       237.7459 197.3626 21.33957 153.6470 33.32631 43.71555       39.57297 
1 1 1 7   0   21 o 100.2213 23.30843 256.0863       109.5649 521.0962       170.1742 68.45210       143.1920 143.2982 25.78774 70.55155 28.15838 72.74667       38.18248 
1 1 1 7   0   22 o 194.5550 17.16388 926.7827       158.0135 1075.255       207.1066 719.9693       244.4333 208.4838 21.06719 166.4028 31.88527 42.08101       38.21645 
1 1 1 7   0   23 o 181.0687 15.48237 801.3062       132.7412 1111.374       200.3520 558.7087       177.2183 212.0454 19.99939 147.7877 26.03260 64.25778       32.82792 
1 1 1 7   0   24 f 190.8445 15.44627 890.6216       139.7292 743.6896       209.2242 1008.918       187.7322 170.5248 26.52560 201.8407 19.70525 -31.31592      33.04397 
1 1 1 7   0   25 o 99.45358 23.98911 255.7980       112.7344 218.6007       177.5693 280.9147       145.9128 94.64034 32.50045 103.6169 28.54564 -8.976585      43.25660 
1 1 1 7   0   26 o 231.1091 16.32091 1310.040       179.1709 1330.124       315.5639 1300.485       217.6569 226.4102 29.88180 228.7761 20.10428 -2.365845      36.01533 
1 1 1 7   0   27 o 121.6233 32.46733 399.2906       192.3167 332.8340       312.4380 439.8294       244.0228 115.3669 42.70959 126.3709 37.60862 -11.00408      56.90797 
1 1 1 7   0   28 o 278.5803 14.97482 1899.854       198.7107 2039.547       297.3730 1787.157       267.0975 284.8697 22.00515 267.1036 21.08710 17.76614       30.47773 
1 1 1 7   0   29 o 93.85169 30.63224 228.6136       157.9713 263.3496       203.3822 175.7880       250.8100 100.8668 34.77704 94.13868 37.36659 6.728119       51.04610 
1 1 1 7   0   30 o 242.9316 15.56155 1452.126       179.7858 1863.189       279.3595 1161.506       234.8938 271.8045 21.67752 213.3052 23.41824 58.49924       31.91126 
1 1 1 7   0   31 o 185.6660 25.63876 900.3568       221.5137 1115.409       374.6068 784.7307       274.6828 194.7979 41.49538 166.9050 35.51525 27.89288       54.61868 
1 1 1 7   0   32 o 221.6306 16.33036 1223.455       171.8198 1848.876       276.3072 829.1298       219.3981 268.7639 21.68773 176.1971 26.89609 92.56679       34.55079 
1 1 1 7   0   33 o 155.0237 21.09108 622.6290       152.2665 429.8232       255.2070 729.2008       189.7378 119.0221 38.94011 165.7147 24.70243 -46.69257      46.11445 
1 1 1 7   0   34 o 47.73793 22.71259 -147.4323      141.9097 87.03990       371.5854 -187.4696      153.5484 92.25234 41.22310 47.83993 22.99223 44.41241       47.20155 
1 1 1 7   0   35 o 75.21736 28.12049 142.8008       136.0793 -38.47677      230.4502 239.8477       168.6148 68.70230 31.40108 90.80341 31.64624 -22.10110      44.58152 
1 1 1 7   0   36 o 69.00534 30.03493 55.41936       185.3620 -443.7011      241.6190 769.3601       288.9745 51.27205 25.47469 148.6097 39.85556 -97.33763      47.30143 
1 1 1 7   0   37 o 67.92564 27.95174 99.67612       146.1384 15.47622       245.7338 145.7502       181.7764 70.59313 32.32568 75.88505 31.19504 -5.291916      44.92304 
1 1 1 7   0   38 o 64.67351 30.79320 -78.78204      261.8409 -498.1052      458.7778 123.7955       318.8773 67.11348 33.61497 78.31068 36.20739 -11.19720      49.40588 
1 1 1 7   1   0  o 292.4795 6.679796 2048.408       93.40434 1921.439       131.1476 2179.107       133.0605 282.8345 9.713251 301.2884 9.248538 -18.45392      13.41203 
1 1 1 7   1   1  o 217.0187 6.751843 1128.974       69.96795 0.000000       0.000000 1128.974       69.96795 ?        ?        217.0187 6.751843 0.000000       6.751843 
1 1 1 7   1   2  o 267.6549 9.551696 1721.035       122.0302 0.000000       0.000000 1721.035       122.0302 ?        ?        267.6549 9.551696 0.000000       9.551696 
1 1 1 7   1   3  f 152.8987 6.838017 561.0123       49.85884 0.000000       0.000000 561.0123       49.85884 ?        ?        152.8987 6.838017 0.000000       6.838017 
1 1 1 7   1   4  o 146.5548 6.994976 515.5833       48.86963 522.8755       67.20964 507.4028       71.18582 147.3208 9.594635 145.0237 10.33479 2.297058       14.10194 
1 1 1 7   1   5  o 332.7002 7.068547 2650.946       112.4324 2691.526       156.9391 2608.158       161.1515 334.8032 9.815274 329.5071 10.24209 5.296051       14.18591 
1 1 1 7   1   6  o 107.2079 8.714448 277.2844       44.28093 303.0884       62.51660 251.3046       62.72932 111.7030 11.88882 101.3742 13.26059 10.32878       17.80975 
1 1 1 7   1   7  o 219.8252 10.38203 1161.707       108.8026 1153.762       153.2332 1169.786       154.5150 218.4407 14.75939 219.9557 14.77934 -1.515015      20.88704 
1 1 1 7   1   8  o 206.6934 7.791137 1024.502       76.85245 1138.098       107.6244 906.3127       109.7792 217.6116 10.37463 193.9553 11.89610 23.65636       15.78449 
1 1 1 7   1   9  o 60.90804 12.81413 92.40222       36.13001 112.1794       43.47719 48.26269       64.95210 67.09469 14.00698 51.78353 19.41378 15.31116       23.93931 
1 1 1 7   1   10 o 458.6794 16.66197 5069.655       364.7721 4908.598       515.3383 5231.373       516.3948 449.3744 24.07487 464.1800 23.34443 -14.80563      33.53449 
1 1 1 7   1   11 o 339.1540 9.855577 2758.065       159.6344 2985.452       316.7032 2680.617       184.8317 351.4606 18.91781 334.1573 11.58710 17.30331       22.18433 
1 1 1 7   1   12 o 67.10803 18.55433 111.7628       61.52194 103.9473       84.08217 120.7681       90.25585 67.32082 22.36622 71.65655 23.13646 -4.335724      32.17986 
1 1 1 7   1   13 o 307.8493 10.14124 2273.290       149.0544 2325.113       267.3842 2249.925       179.5386 310.1852 18.10920 306.0130 12.29688 4.172150       21.88964 
1 1 1 7   1   14 o 141.2149 12.01077 481.7588       80.31986 507.1397       104.9014 445.7960       124.8689 144.4363 15.43009 134.4930 20.03002 9.943268       25.28417 
1 1 1 7   1   15 o 87.51086 17.02050 190.6066       68.64582 149.0891       83.17812 279.2784       121.5587 77.42223 21.63763 105.2338 24.60409 -27.81155      32.76505 
1 1 1 7   1   16 o 174.9504 12.87970 738.7657       106.9729 704.1205       153.5831 771.4102       149.0823 169.7458 19.26535 178.0456 17.75031 -8.299789      26.19594 
1 1 1 7   1   17 o 223.1817 11.85511 1198.707       126.0410 1265.762       180.0853 1134.319       176.4676 228.6423 16.58733 216.2718 17.20879 12.37056       23.90151 
1 1 1 7   1   18 o 65.75217 25.55777 67.29857       115.2326 -42.65397      259.9819 94.18050       128.5496 80.74591 35.34895 72.19168 27.25844 8.554230       44.63823 
1 1 1 7   1   19 o 248.1260 14.99845 1488.546       177.0901 1535.176       247.6932 1439.787       253.2869 250.6968 20.85471 242.4091 22.09793 8.287628       30.38483 
1 1 1 7   1   20 o 58.15204 23.65839 34.43144       103.2154 -150.4113      163.9874 155.6996       132.8259 54.51871 25.46280 82.34473 28.11396 -27.82602      37.93084 
1 1 1 7   1   21 o 301.7677 14.31385 2202.246       205.9196 2596.622       301.1976 1856.144       282.1621 326.2085 19.40055 274.8966 21.64392 51.31192       29.06614 
1 1 1 7   1   22 o 144.7709 21.94249 524.3101       147.1167 462.8051       186.5288 625.5425       239.3042 133.5925 29.94691 154.6619 33.34628 -21.06940      44.81955 
1 1 1 7   1   23 o 91.64343 24.90026 215.1724       111.9140 168.4667       170.4137 250.5909       148.4005 87.50743 31.67825 98.88770 29.30342 -11.38026      43.15324 
1 1 1 7   1   24 o 112.4869 22.54291 322.9659       117.0061 128.4402       179.6180 466.3596       154.2150 83.00528 32.00500 135.0177 24.80440 -52.01247      40.49170 
1 1 1 7   1   25 o 313.1442 14.12150 2382.402       210.8699 2151.008       318.6603 2562.666       281.2593 293.6870 22.87555 323.0649 18.28460 -29.37790      29.28510 
1 1 1 7   1   26 o 69.26130 25.40251 100.5386       110.0932 145.1633       178.4762 73.12938       139.8754 84.56669 32.07597 69.86115 27.84777 14.70554       42.47783 
1 1 1 7   1   27 o 89.54274 29.58439 200.7793       147.1671 181.2570       186.6353 232.8727       239.2966 89.78983 33.05046 100.4690 37.34330 -10.67914      49.86838 
1 1 1 7   1   28 f 204.7309 15.81884 1030.480       153.6339 1301.183       237.7035 836.2681       201.3389 227.3406 22.15065 181.0993 23.83209 46.24130       32.53643 
1 1 1 7   1   29 o 190.7283 19.64739 911.2993       176.5945 1055.689       238.8137 737.0825       262.3233 202.5898 25.19978 163.7525 34.59308 38.83725       42.79848 
1 1 1 7   1   30 o 125.7673 22.87278 409.0747       132.4646 601.6168       221.7984 302.3209       165.1533 148.5337 32.16673 105.8110 30.79483 42.72272       44.53112 
1 1 1 7   1   31 o 116.5730 27.74892 364.9919       152.4108 629.9708       368.8779 310.4447       167.3645 143.4023 46.80946 106.7915 30.97709 36.61086       56.13115 
1 1 1 7   1   32 o 53.76245 24.67454 -78.71195      144.2737 977.9737       382.1154 -254.3931      155.8060 176.7459 45.08357 45.38783 22.12879 131.3581       50.22163 
1 1 1 7   1   33 o 71.88739 27.73406 107.3863       134.9335 132.1110       236.1102 95.39502       164.4303 85.75596 35.43295 74.05208 29.95821 11.70388       46.40030 
1 1 1 7   1   34 o 80.01786 28.02343 164.7029       132.3137 -147.6178      247.1685 290.1526       156.6490 66.46143 31.11219 101.2825 30.13020 -34.82107      43.31048 
1 1 1 7   1   35 o 87.79658 28.35404 216.7664       135.5490 447.1875       251.6500 122.5895       160.8822 117.5617 38.67912 75.22942 29.90569 42.33231       48.89196 
1 1 1 7   1   36 o 51.57582 24.14475 -95.22987      148.8820 87.38749       431.4558 -119.9138      158.6252 89.88568 41.75189 51.77396 24.44959 38.11172       48.38391 
1 1 1 7   1   37 o 75.99006 29.34166 154.6120       151.1223 487.1573       268.2509 -0.1108090E-03 182.9101 114.3802 39.91238 63.38952 28.57483 50.99068       49.08685 
1 1 1 7   1   38 o 56.09863 25.72468 -26.17266      156.3601 -384.1385      282.0404 132.6657       187.8746 56.17928 27.84542 73.33089 31.03906 -17.15160      41.69881 
1 1 1 7   2   0  o 146.0815 6.603290 512.1208       45.99806 467.8619       64.16831 558.9018       65.97131 139.2830 9.696939 152.3649 9.097965 -13.08183      13.29675 
1 1 1 7   2   1  o 22.75642 8.225797 10.25564       11.48508 0.000000       0.000000 10.25564       11.48508 ?        ?        22.75642 8.225797 0.000000       8.225797 
1 1 1 7   2   2  o 55.91898 7.926329 76.44309       20.59728 0.000000       0.000000 76.44309       20.59728 ?        ?        55.91898 7.926329 0.000000       7.926329 
1 1 1 7   2   3  o 325.2568 6.913771 2534.412       107.5102 0.000000       0.000000 2534.412       107.5102 ?        ?        325.2568 6.913771 0.000000       6.913771 
1 1 1 7   2   4  o 94.68307 7.333603 216.0957       32.93834 177.6154       43.89062 265.7107       49.83776 85.27055 11.02397 104.7145 10.07942 -19.44400      14.93729 
1 1 1 7   2   5  o 356.1911 7.135345 3039.531       121.5084 3077.217       169.6975 2999.881       174.0634 357.8864 9.927541 353.2859 10.31664 4.600464       14.31744 
1 1 1 7   2   6  o 190.3913 8.074027 870.3556       73.32610 888.7531       90.34820 834.8510       125.5109 192.1892 9.865926 185.5822 14.25525 6.607071       17.33634 
1 1 1 7   2   7  o 241.1169 7.403691 1393.883       85.24509 1484.523       117.3593 1292.653       124.0263 248.5555 9.895887 231.7302 11.22838 16.82532       14.96680 
1 1 1 7   2   8  o 535.4045 19.13746 6945.205       489.0750 7238.407       691.0861 6651.033       692.2284 543.2057 26.69263 520.0087 27.94659 23.19708       38.64594 
1 1 1 7   2   9  f 60.54987 11.63356 90.94085       32.45356 130.7265       43.03003 38.45312       49.42396 72.71106 12.84812 45.63270 16.96931 27.07836       21.28454 
1 1 1 7   2   10 o 236.8890 9.595845 1346.908       108.4518 1559.071       183.9122 1233.798       134.2844 254.1568 15.20514 226.3814 12.45528 27.77542       19.65528 
1 1 1 7   2   11 o 86.13819 12.73011 181.8600       50.84758 281.2934       80.02548 114.5362       65.84857 106.9653 16.15140 68.05794 19.33371 38.90736       25.19246 
1 1 1 7   2   12 o 555.2204 8.033479 7379.934       213.2443 7589.629       299.0927 7163.137       304.1161 562.6721 11.11839 546.5600 11.63840 16.11206       16.09568 
1 1 1 7   2   13 o 285.4853 12.30462 1958.578       167.5480 2071.460       235.9467 1843.757       237.9636 292.9394 16.91919 276.1088 18.12720 16.83060       24.79626 
1 1 1 7   2   14 o 466.9966 8.239693 5221.501       183.9641 5234.521       256.9882 5207.817       263.4616 467.2267 11.50475 465.8422 11.83920 1.384521       16.50836 
1 1 1 7   2   15 f 485.3025 10.56188 5645.213       245.0542 5700.198       271.8666 5406.978       565.8977 487.5154 11.66432 471.3258 25.20523 16.18954       27.77337 
1 1 1 7   2   16 o 191.2586 11.54438 880.5369       105.0687 888.8973       149.7460 872.4298       147.4596 191.4772 16.51935 189.6983 16.42083 1.778946       23.29233 
1 1 1 7   2   17 o 252.8314 12.25749 1537.815       147.7220 1579.814       207.7066 1494.828       210.1354 255.5123 17.10164 248.3837 17.81399 7.128632       24.69422 
1 1 1 7   2   18 o 248.9945 14.35531 1495.776       170.1633 1681.346       240.0945 1308.487       241.2038 263.1208 19.21871 231.3219 22.07767 31.79897       29.27084 
1 1 1 7   2   19 o 575.6190 13.60935 7968.009       374.5250 7854.781       420.6967 8400.573       822.2757 570.8253 15.42965 583.9138 29.55117 -13.08850      33.33685 
1 1 1 7   2   20 o 146.5214 19.01711 528.4835       130.0755 163.4484       185.2329 883.6125       182.7023 89.47085 32.92725 189.7254 20.46578 -100.2545      38.76922 
1 1 1 7   2   21 o 117.0001 22.67655 345.2505       122.2638 324.3334       175.5373 364.9593       170.3917 112.3936 31.44131 119.0033 29.97041 -6.609673      43.43710 
1 1 1 7   2   22 o 235.7937 15.97044 1351.754       178.9729 1603.692       298.9588 1211.029       223.4347 254.0231 24.93776 221.6369 21.35017 32.38618       32.82867 
1 1 1 7   2   23 o 299.7636 14.69795 2179.473       209.9994 1979.439       318.1533 2333.905       279.5462 282.3386 23.79106 308.7443 19.03102 -26.40573      30.46628 
1 1 1 7   2   24 o 103.7276 23.42963 276.1897       113.4370 -22.29474      174.0398 496.6529       149.5739 66.08981 28.92770 140.0789 23.14179 -73.98909      37.04530 
1 1 1 7   2   25 f 258.7041 14.29600 1627.766       176.1305 2004.201       260.4720 1310.641       239.0737 285.2507 19.21172 229.2754 22.08339 55.97530       29.27057 
1 1 1 7   2   26 o 152.1611 17.63712 573.3677       125.9302 557.6902       197.6887 584.0737       163.3648 145.8646 29.36533 151.7284 23.26143 -5.863876      37.46220 
1 1 1 7   2   27 o 249.7257 16.01048 1527.780       190.1438 1611.412       265.8668 1440.214       272.0475 253.7581 22.13607 238.7859 24.16234 14.97217       32.76926 
1 1 1 7   2   28 o 92.71528 26.41869 224.3171       122.7666 299.4364       194.8229 174.8435       158.1069 106.4151 33.95650 86.10468 30.59122 20.31041       45.70412 
1 1 1 7   2   29 o 68.50391 26.29156 88.85082       120.8201 106.8260       195.8185 77.80147       153.5271 81.26187 32.75770 72.03790 29.01740 9.223969       43.76159 
1 1 1 7   2   30 o 225.3388 18.04868 1262.225       192.8174 1167.828       261.9404 1373.874       284.8704 212.1829 26.39035 230.3697 26.33787 -18.18678      37.28450 
1 1 1 7   2   31 o 76.09854 28.97258 119.3170       145.9472 104.0449       359.1892 122.3370       159.7270 97.88210 42.20715 78.18461 30.17172 19.69749       51.88233 
1 1 1 7   2   32 o 67.39735 28.04417 50.43618       149.3663 15.48593       370.2223 57.23114       163.2416 92.21118 41.18002 70.36891 29.30223 21.84227       50.54123 
1 1 1 7   2   33 o 179.6921 19.11502 820.1075       161.6976 1093.718       265.6861 659.1409       203.7842 201.2165 28.40769 155.5171 28.45676 45.69940       40.20925 
1 1 1 7   2   34 o 106.1596 28.20292 314.6289       145.5535 147.0150       244.2306 406.9529       181.2602 87.17989 36.03071 119.1379 31.38980 -31.95802      47.78631 
1 1 1 7   2   35 o 81.39779 31.86861 154.5705       180.2126 312.2130       244.4000 -33.27510      266.7872 102.6370 37.81368 74.78139 34.02782 27.85564       50.87011 
1 1 1 7   2   36 o 151.3517 38.30322 756.5557       277.3508 756.5557       277.3508 0.000000       0.000000 151.3517 38.30322 ?        ?        0.000000       38.30322 
1 1 1 7   2   37 o 55.52997 27.00740 -259.7344      228.1809 -796.3737      417.1742 -30.64960      272.5676 62.11433 31.24037 71.79621 33.29283 -9.681877      45.65493 
1 1 1 7   2   38 o 73.55435 28.76792 149.4572       146.7240 -97.26806      263.0909 260.8352       176.7659 65.29169 31.02452 88.81094 32.24722 -23.51926      44.74823 
1 1 1 7   2   39 o 90.62252 30.60119 283.4101       157.3242 529.8615       274.6176 163.0110       191.9440 108.7960 40.08314 74.84187 31.50984 33.95412       50.98557 
1 1 1 7   3   0  o 280.7301 6.889891 1887.917       92.47189 2065.190       130.3237 1708.167       131.2310 293.2110 9.308625 266.4821 10.32005 26.72885       13.89798 
1 1 1 7   3   1  o 254.9185 6.240600 1556.214       76.05643 1696.967       116.8171 1452.649       100.2041 265.7562 9.208132 245.9497 8.534720 19.80649       12.55512 
1 1 1 7   3   2  o 207.8321 6.867913 1035.973       68.14735 0.000000       0.000000 1035.973       68.14735 ?        ?        207.8321 6.867913 0.000000       6.867913 
1 1 1 7   3   3  o 339.9735 8.201766 2771.807       133.3094 0.000000       0.000000 2771.807       133.3094 ?        ?        339.9735 8.201766 0.000000       8.201766 
1 1 1 7   3   4  o 323.8333 5.688291 2510.638       88.06668 2563.204       152.5767 2484.376       107.8448 326.5742 9.783358 322.0083 7.005252 4.565918       12.03277 
1 1 1 7   3   5  o 154.7641 7.988825 575.7471       58.91003 552.7987       74.55852 613.8781       96.10829 151.3486 10.36671 159.1635 12.73637 -7.814911      16.42205 
1 1 1 7   3   6  f 90.78602 8.933607 199.6031       38.27345 214.4783       50.85024 180.1630       58.13120 93.74649 11.59240 85.21349 14.80599 8.533005       18.80429 
1 1 1 7   3   7  o 199.1376 8.841681 952.8044       83.96768 946.6135       132.5393 956.9551       108.5249 197.7103 14.11475 199.2307 11.44182 -1.520462      18.16980 
1 1 1 7   3   8  o 311.0242 7.365295 2317.000       109.5198 2243.649       151.3381 2397.652       158.6922 305.5907 10.37361 315.8933 10.52236 -10.30267      14.77606 
1 1 1 7   3   9  o 362.2203 9.095592 3146.711       157.3868 3233.546       178.7242 2846.792       332.1542 367.0331 10.19508 342.2160 20.39415 24.81711       22.80046 
1 1 1 7   3   10 o 498.4066 9.892018 5954.632       235.7095 5989.148       256.8397 5770.376       593.4210 499.7233 10.75039 486.1567 25.62207 13.56662       27.78599 
1 1 1 7   3   11 o 162.2746 10.12793 633.5511       78.18235 725.8649       108.2456 532.8727       113.0434 173.3841 13.15669 147.9386 16.25011 25.44550       20.90848 
1 1 1 7   3   12 o 527.1806 10.23883 6659.872       258.0585 6720.475       280.9983 6333.503       652.0941 529.4596 11.10101 509.7623 26.85150 19.69727       29.05573 
1 1 1 7   3   13 o 26.85206 12.80517 -60.72979      45.64486 79.34521       90.59949 -108.3785      52.84102 63.33655 23.07323 25.53298 12.53980 37.80357       26.26063 
1 1 1 7   3   14 o 299.3341 12.63449 2153.545       180.4034 2152.129       253.4345 2155.000       256.8578 298.4332 17.84424 298.5907 18.07788 -0.1575012     25.40131 
1 1 1 7   3   15 o 329.8948 8.788452 2608.184       138.4871 2924.612       192.0989 2265.773       199.8304 349.0363 11.52768 306.8871 13.65411 42.14923       17.86959 
1 1 1 7   3   16 o 254.6950 10.65422 1557.765       129.4465 1619.335       166.2921 1463.085       206.2127 259.3423 13.45793 245.8219 17.66410 13.52043       22.20667 
1 1 1 7   3   17 o 146.5179 18.66741 525.9946       127.7972 719.8398       218.0050 424.5040       157.7437 169.7320 27.82904 129.8385 26.31434 39.89357       38.30014 
1 1 1 7   3   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   3   19 o 494.5076 18.43426 5915.219       435.0571 6220.721       615.3397 5609.867       615.1876 504.4065 25.60050 478.3307 27.01091 26.07581       37.21525 
1 1 1 7   3   20 o 115.7277 25.67377 339.9844       138.3307 474.5911       258.1145 285.7440       163.8477 135.4091 38.21388 106.2703 30.59707 29.13882       48.95387 
1 1 1 7   3   21 o 383.2639 15.85982 3553.990       289.9781 3464.168       410.0849 3643.818       410.0970 375.9354 22.92566 385.8363 22.32719 -9.900909      32.00140 
1 1 1 7   3   22 o 90.70385 28.99683 201.8674       142.0165 -98.61273      258.7310 331.4352       169.8984 75.80495 34.09438 113.2989 30.63616 -37.49398      45.83668 
1 1 1 7   3   23 o 194.4519 15.65784 921.6507       144.3337 760.2668       199.3812 1099.339       209.2108 173.9173 24.67061 210.9469 21.02414 -37.02963      32.41378 
1 1 1 7   3   24 o 351.6834 15.47586 3006.360       259.5675 3240.215       366.8968 2772.026       367.2713 362.5054 21.26338 334.2666 23.12441 28.23880       31.41448 
1 1 1 7   3   25 o 199.0586 15.73710 969.2252       148.5486 873.6813       210.9858 1063.145       209.1848 186.0108 24.30589 206.5830 21.49397 -20.57227      32.44637 
1 1 1 7   3   26 o 94.42436 28.09928 230.0062       136.2252 136.8185       287.8070 256.9109       154.6450 96.12891 39.35520 99.52523 30.01393 -3.396324      49.49412 
1 1 1 7   3   27 o 49.70942 24.25986 -324.0322      188.5866 124.0798       296.3004 -629.1703      244.5047 95.54642 39.60552 49.50762 24.75876 46.03880       46.70753 
1 1 1 7   3   28 o 158.7908 21.08893 635.3824       156.1444 990.0818       324.7731 528.7447       178.0760 190.2086 37.04686 142.2650 27.17234 47.94356       45.94350 
1 1 1 7   3   29 o 280.2104 16.02406 1928.921       213.7719 2480.309       353.9580 1612.321       268.2124 312.9403 23.83758 252.8358 22.42092 60.10445       32.72503 
1 1 1 7   3   30 o 121.4655 26.62413 391.1541       150.3344 349.4010       344.9986 400.9405       167.0260 116.5425 44.50272 122.0608 29.04482 -5.518341      53.14220 
1 1 1 7   3   31 o 197.9922 24.43274 1009.068       226.3739 1049.125       368.4818 984.7856       286.8980 189.9204 41.72466 190.4930 32.67815 -0.5726471     52.99820 
1 1 1 7   3   32 o 290.9463 17.22353 2101.506       238.5041 2331.610       399.1404 1973.717       297.4475 297.3601 28.42138 278.2888 22.54964 19.07132       36.28032 
1 1 1 7   3   33 o 65.72927 28.09546 28.72382       156.5651 -202.6397      385.3586 74.46458       171.3441 81.71957 38.44217 72.82925 30.14690 8.890320       48.85320 
1 1 1 7   3   34 o 112.0527 32.75635 363.3944       186.4969 576.0352       240.1621 40.38430       295.9984 139.0493 35.88545 83.94365 37.19316 55.10561       51.68265 
1 1 1 7   3   35 o 110.1066 28.00178 341.5711       147.7184 318.8740       242.9391 354.8852       186.0665 103.9045 37.79313 109.7610 32.88206 -5.856506      50.09541 
1 1 1 7   3   36 o 60.51972 26.32041 20.22990       142.1094 -180.9301      239.4404 129.6217       176.5708 61.79593 29.42970 76.68008 31.03613 -14.88415      42.77089 
1 1 1 7   3   37 o 43.15639 21.59808 -430.2228      187.6064 -515.7196      249.2523 -318.4850      284.9472 50.09763 25.04543 60.77340 29.69428 -10.67578      38.84616 
1 1 1 7   3   38 o 58.07222 25.78391 12.75415       142.9900 -261.9499      260.8444 130.7666       170.9672 58.64337 28.60050 73.23506 30.19472 -14.59169      41.58978 
1 1 1 7   3   39 o 66.03490 28.64973 84.72310       167.5361 362.4082       447.7025 39.50528       180.6625 89.92967 42.02464 63.35544 28.49295 26.57423       50.77320 
1 1 1 7   4   0  o 348.1738 6.921682 2903.957       115.2169 2830.029       162.4604 2978.768       163.4265 343.1912 9.911928 352.1366 9.716688 -8.945404      13.88021 
1 1 1 7   4   1  f 220.9749 6.791406 1170.826       71.66302 1284.613       101.2211 1056.471       101.4730 231.1904 9.176065 209.4874 10.16205 21.70299       13.69188 
1 1 1 7   4   2  o 94.81997 7.332556 216.7424       32.98211 0.000000       0.000000 216.7424       32.98211 ?        ?        94.81997 7.332556 0.000000       7.332556 
1 1 1 7   4   3  o 406.1265 7.050737 3952.083       136.9003 0.000000       0.000000 3952.083       136.9003 ?        ?        406.1265 7.050737 0.000000       7.050737 
1 1 1 7   4   4  o 303.4005 6.960226 2205.469       100.9597 0.000000       0.000000 2205.469       100.9597 ?        ?        303.4005 6.960226 0.000000       6.960226 
1 1 1 7   4   5  o 179.1949 8.040903 771.4036       68.71178 791.2626       85.82483 735.9501       114.6739 181.2574 9.942030 174.1555 13.88766 7.101959       17.07955 
1 1 1 7   4   6  o 56.26427 9.850084 78.19642       25.53122 64.18282       34.19587 95.84748       38.37816 50.76968 13.75134 61.90727 13.35927 -11.13759      19.17210 
1 1 1 7   4   7  o 211.1159 7.454473 1069.171       75.12146 986.6132       102.8992 1163.387       109.9240 202.4081 10.67119 219.8659 10.48769 -17.45787      14.96215 
1 1 1 7   4   8  o 207.1116 9.981522 1031.539       98.54377 912.2079       137.3232 1158.229       141.4943 193.9887 14.92130 218.9582 13.58355 -24.96956      20.17816 
1 1 1 7   4   9  o 311.2307 7.544034 2319.851       112.2521 2205.361       153.8042 2450.345       164.2024 302.9885 10.63427 319.3740 10.76944 -16.38553      15.13501 
1 1 1 7   4   10 o 573.4067 20.23360 7962.786       553.8129 8123.559       782.5383 7801.460       783.8830 575.5217 28.52932 563.6362 29.18946 11.88544       40.81601 
1 1 1 7   4   11 o 135.4583 9.894812 442.0589       63.63784 559.3638       88.71682 317.7273       91.33529 152.1825 12.29830 113.5742 17.37226 38.60831       21.28482 
1 1 1 7   4   12 o 430.9926 10.31704 4451.610       212.5853 4491.938       463.7957 4440.884       239.1913 430.3024 22.62420 430.1689 11.64119 0.1335144      25.44350 
1 1 1 7   4   13 o 128.8354 10.54782 400.4322       64.40077 386.5836       86.66991 417.5049       96.23159 126.0237 14.65816 130.8687 15.69323 -4.845070      21.47415 
1 1 1 7   4   14 o 307.3720 12.95444 2271.144       189.9401 2410.149       267.3711 2129.521       269.8782 315.8911 17.77561 296.6208 19.13289 19.27032       26.11589 
1 1 1 7   4   15 o 287.0332 10.31552 1976.961       141.3269 2136.831       177.1670 1697.225       234.3543 298.1749 12.45549 264.7274 18.63586 33.44748       22.41505 
1 1 1 7   4   16 o 393.1920 11.30680 3710.406       212.3251 4260.608       425.0027 3527.410       245.1042 419.3056 21.27030 383.0531 13.40458 36.25253       25.14177 
1 1 1 7   4   17 o 254.5677 13.47931 1560.776       163.4665 1558.448       223.8571 1563.434       239.2643 253.5259 18.59828 253.6783 19.88701 -0.1524048     27.22846 
1 1 1 7   4   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   4   19 o 481.2038 18.11843 5598.562       416.0847 5667.226       584.6115 5528.072       592.3297 481.5057 25.48631 475.2573 26.17014 6.248474       36.52983 
1 1 1 7   4   20 o 59.07985 25.46169 -8.729211      130.5780 -69.95316      232.3644 19.52830       157.8614 73.90246 32.83734 67.92387 28.58522 5.978592       43.53626 
1 1 1 7   4   21 o 205.9028 16.72224 1031.526       163.1976 1113.625       201.4332 874.6902       278.4097 213.2156 19.99402 184.8889 32.69236 28.32669       38.32168 
1 1 1 7   4   22 o 142.7186 21.43159 507.6060       141.7191 793.1534       254.4085 379.1314       170.6479 175.8239 31.41848 121.1430 29.69745 54.68086       43.23262 
1 1 1 7   4   23 o 160.2159 16.61325 629.0339       125.4083 671.6556       178.7012 587.6735       176.0372 163.7027 23.50637 152.4664 25.01717 11.23636       34.32795 
1 1 1 7   4   24 o 376.3116 13.76866 3429.068       247.2948 3731.920       323.5867 3003.825       383.4366 391.1443 17.34710 348.0779 23.17337 43.06647       28.94696 
1 1 1 7   4   25 o 257.3346 14.93231 1612.538       182.9212 1679.055       257.4354 1544.709       259.9623 260.3800 20.85430 249.1721 22.04976 11.20790       30.34953 
1 1 1 7   4   26 o 196.6917 16.31267 949.1509       152.0195 992.5439       213.5933 904.6058       216.4104 198.7767 22.89335 188.9906 24.52947 9.786194       33.55295 
1 1 1 7   4   27 o 75.97558 29.32397 106.9907       150.8948 135.0915       176.3952 30.32739       291.3543 82.93203 31.78345 87.73844 37.92393 -4.806412      49.48143 
1 1 1 7   4   28 o 180.7728 20.93508 820.1014       177.5916 634.2913       216.6031 1201.176       310.1953 154.6851 30.37375 213.6482 31.29666 -58.96313      43.61245 
1 1 1 7   4   29 o 228.5084 18.19437 1294.809       197.1283 1781.611       339.7643 1047.788       242.0296 262.6153 27.46709 201.8274 25.66251 60.78789       37.58997 
1 1 1 7   4   30 o 64.47699 27.39059 23.17370       147.2012 666.4669       327.9904 -139.0784      164.7221 150.0789 43.31477 54.23980 25.39343 95.83907       50.20952 
1 1 1 7   4   31 o 219.7603 18.48891 1204.685       192.4538 1935.780       364.0428 921.1051       226.7268 271.8015 28.43540 188.2121 25.88148 83.58936       38.45026 
1 1 1 7   4   32 o 260.7577 17.80996 1692.771       220.6955 1472.483       382.3733 1802.813       270.2542 229.8118 35.98198 266.8499 21.36173 -37.03819      41.84526 
1 1 1 7   4   33 o 110.5032 36.79750 351.1686       227.5625 416.3331       381.3581 315.1351       283.5837 119.0713 46.43445 107.2851 40.49124 11.78617       61.60924 
1 1 1 7   4   34 o 59.33522 26.39327 -22.15472      150.5268 -178.8838      377.2406 7.524808       164.1618 80.85484 38.03529 64.48703 28.16335 16.36781       47.32713 
1 1 1 7   4   35 o 50.86759 23.59841 -87.45505      137.1728 238.1437       228.5798 -270.7082      171.4835 94.50084 36.18982 47.27193 23.08405 47.22891       42.92524 
1 1 1 7   4   36 o 108.8385 33.35030 365.1159       189.9085 664.2455       243.9558 -94.95020      302.5461 145.8105 35.36356 73.80979 34.50965 72.00069       49.41151 
1 1 1 7   4   37 o 55.88367 25.25376 -23.62212      143.8945 -0.8023903E-04 241.2258 -36.67052      179.2849 70.70734 32.24455 60.51945 27.67452 10.18790       42.49224 
1 1 1 7   4   38 o 114.2803 29.12114 405.3704       159.5422 701.5012       261.2784 229.3095       201.4619 140.0154 38.04766 85.76287 33.66019 54.25254       50.79993 
1 1 1 7   4   39 o 65.41135 28.04460 85.89165       156.8672 -79.77245      255.5020 186.1167       198.7323 63.74466 30.36984 77.84677 32.36657 -14.10212      44.38380 
1 1 1 7   5   0  o 76.65711 7.246589 142.0212       26.24271 126.4257       37.22531 157.4296       37.00129 71.69268 11.22898 80.40286 9.829988 -8.710182      14.92376 
1 1 1 7   5   1  o 112.0443 6.999443 301.8937       37.30669 302.5190       52.03902 301.2326       53.51101 111.8370 9.832744 111.5551 10.14416 0.2818756      14.12752 
1 1 1 7   5   2  o 82.21770 7.786888 163.4616       30.24341 0.000000       0.000000 163.4616       30.24341 ?        ?        82.21770 7.786888 0.000000       7.786888 
1 1 1 7   5   3  o 181.8125 7.848581 793.8244       68.06113 0.000000       0.000000 793.8244       68.06113 ?        ?        181.8125 7.848581 0.000000       7.848581 
1 1 1 7   5   4  o 287.1411 8.386433 1978.772       115.0046 0.000000       0.000000 1978.772       115.0046 ?        ?        287.1411 8.386433 0.000000       8.386433 
1 1 1 7   5   5  o 308.8547 8.904601 2290.055       131.3480 2320.731       260.7751 2279.626       152.0428 308.9806 17.72774 307.9207 10.34273 1.059906       20.52425 
1 1 1 7   5   6  o 216.6730 10.39129 1129.871       107.3285 1180.938       151.2807 1078.117       152.2952 220.8521 14.40623 210.8194 15.21239 10.03273       20.95129 
1 1 1 7   5   7  o 276.4791 8.863070 1834.698       117.0020 1771.171       214.5593 1861.583       139.5818 270.2494 16.68775 278.2718 10.51073 -8.022461      19.72198 
1 1 1 7   5   8  o 185.7930 8.958260 829.4045       79.33772 813.3565       121.5317 841.3229       104.7338 183.3073 13.97290 186.7794 11.78883 -3.472183      18.28164 
1 1 1 7   5   9  o 412.1043 9.430826 4071.116       185.8084 4080.428       206.5987 4031.709       425.0047 412.3064 10.48943 407.0354 21.92090 5.270966       24.30132 
1 1 1 7   5   10 o 281.4843 9.603784 1901.138       129.0531 1848.742       222.3120 1927.769       158.4918 276.4860 16.89899 283.1921 11.73164 -6.706116      20.57200 
1 1 1 7   5   11 o 174.2428 9.267142 729.3689       76.92088 742.1201       100.4890 711.3248       119.5395 175.4661 12.05209 171.4118 14.72957 4.054245       19.03190 
1 1 1 7   5   12 f 304.3680 10.25798 2222.484       149.0556 2507.229       271.9724 2100.239       178.2018 322.1960 17.72445 295.5898 12.63916 26.60617       21.76934 
1 1 1 7   5   13 o 328.9018 13.32541 2600.594       209.1004 2633.154       293.8831 2567.211       297.5769 330.0602 18.70051 325.7925 19.19011 4.267700       26.79495 
1 1 1 7   5   14 o 411.5984 15.51581 4077.934       304.7743 4056.183       428.7330 4100.155       433.3357 409.0727 22.00286 411.2598 22.12080 -2.187073      31.20025 
1 1 1 7   5   15 o 461.0856 10.54987 5095.608       232.5610 5084.507       522.0701 5098.357       259.7570 457.4666 23.95394 460.9074 11.79784 -3.440796      26.70168 
1 1 1 7   5   16 o 417.3368 15.92651 4195.768       317.1888 3844.216       443.1464 4565.082       454.2032 397.6465 23.41359 433.8618 21.96879 -36.21539      32.10645 
1 1 1 7   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   5   18 o 424.6338 12.43495 4332.739       252.1732 4266.055       295.5424 4511.257       483.5603 420.9153 14.70905 430.4430 23.58793 -9.527649      27.79832 
1 1 1 7   5   19 o 548.0068 12.41332 7212.819       325.2237 7097.946       360.8177 7710.393       750.9421 543.1240 13.90714 560.5062 28.11295 -17.38214      31.36473 
1 1 1 7   5   20 o 168.8771 15.62303 693.2796       124.7080 693.8903       166.2582 692.4939       188.5687 167.7942 21.19732 166.8388 24.35908 0.9554291      32.29073 
1 1 1 7   5   21 o 225.5706 14.41027 1231.522       154.5916 1676.703       212.4527 730.5610       225.3698 262.7603 17.00326 169.8496 28.78040 92.91064       33.42787 
1 1 1 7   5   22 o 180.9721 15.68591 797.6464       134.3767 1004.905       182.5371 552.4410       198.5452 202.4582 19.08363 146.7322 29.32870 55.72595       34.99082 
1 1 1 7   5   23 o 180.5474 18.11005 800.4395       154.2133 656.2380       184.0458 1140.279       282.5387 161.4206 24.62693 212.1522 28.58271 -50.73157      37.72873 
1 1 1 7   5   24 o 278.9665 14.40281 1888.926       191.4410 2048.721       270.4275 1728.393       271.0504 288.6873 19.71189 264.2937 21.64070 24.39368       29.27248 
1 1 1 7   5   25 o 133.5995 19.59264 446.4814       121.4257 575.2422       173.1316 321.8304       170.3461 150.1516 24.99619 110.6509 30.97985 39.50075       39.80654 
1 1 1 7   5   26 o 166.2463 19.86474 688.8279       154.7648 705.8736       277.3384 681.1193       186.5048 161.1473 36.80748 163.5735 24.61077 -2.426208      44.27731 
1 1 1 7   5   27 o 331.6863 15.39251 2685.060       243.4218 2742.321       344.3293 2627.852       344.1717 331.8098 21.82704 324.4860 22.32158 7.323853       31.21974 
1 1 1 7   5   28 o 64.11238 26.09113 50.47542       125.5784 254.1399       172.1552 -181.1293      183.5847 99.05299 31.95107 55.81257 26.34044 43.24042       41.40881 
1 1 1 7   5   29 o 109.8274 26.21515 318.4095       135.7334 167.6664       187.4027 484.7477       196.8581 87.53928 32.94285 133.9134 31.31129 -46.37416      45.44918 
1 1 1 7   5   30 o 180.2461 18.76430 812.7868       159.3343 742.9786       224.4877 883.6561       226.1873 167.2192 29.13859 184.2080 26.44021 -16.98880      39.34644 
1 1 1 7   5   31 o 139.3713 35.33533 546.0981       235.7332 485.1199       335.3481 605.6635       331.4405 128.9356 44.64700 142.1683 44.14602 -13.23268      62.78714 
1 1 1 7   5   32 o 79.19142 31.04793 121.9824       171.2504 -289.6523      343.8706 257.7433       197.4815 74.76062 35.50809 98.95292 34.26175 -24.19230      49.34260 
1 1 1 7   5   33 o 169.8764 23.51131 753.9476       185.8360 342.9218       370.4626 892.1535       214.8193 112.7644 45.19530 183.9746 25.07546 -71.21024      51.68553 
1 1 1 7   5   34 o 50.63749 23.98441 -148.4122      154.8026 280.8033       373.3000 -237.5512      170.1195 106.2182 44.27713 48.80504 23.63888 57.41314       50.19224 
1 1 1 7   5   35 f 94.40123 31.48433 251.2593       166.5793 920.5692       384.9662 97.06751       184.7735 162.9567 46.89416 75.75228 31.32667 87.20443       56.39524 
1 1 1 7   5   36 o 55.88539 27.22411 -303.8774      234.4419 -564.2006      391.2117 -158.0005      292.8524 66.74232 33.02995 69.83759 33.05189 -3.095261      46.72692 
1 1 1 7   5   37 o 89.20393 31.62632 242.6489       168.9097 -195.3388      408.9403 332.7415       185.4699 76.55254 36.97445 101.7076 33.19116 -25.15504      49.68665 
1 1 1 7   5   38 o 119.9145 28.47556 439.6935       160.8044 736.4509       262.5573 261.5626       203.4197 144.5098 37.63616 89.57050 34.17985 54.93929       50.84037 
1 1 1 7   5   39 o 72.37659 29.42478 147.2733       159.5291 -206.8759      257.0314 369.1815       203.4603 58.59108 28.53398 99.08426 34.74662 -40.49318      44.96127 
1 1 1 7   6   0  o 139.4877 8.766982 468.1797       58.16912 507.3997       82.11028 428.6655       82.41770 144.8442 11.96396 132.8747 13.14598 11.96953       17.77507 
1 1 1 7   6   1  o 311.8412 8.551188 2332.639       127.3674 2283.806       259.7638 2348.095       146.1402 306.7987 17.78618 312.7066 9.787222 -5.907867      20.30118 
1 1 1 7   6   2  o 252.7341 6.255703 1529.198       75.58722 1553.718       116.6553 1511.454       99.23750 254.3111 9.611992 250.9853 8.281602 3.325790       12.68760 
1 1 1 7   6   3  o 274.8855 11.61023 1819.059       152.2375 0.000000       0.000000 1819.059       152.2375 ?        ?        274.8855 11.61023 0.000000       11.61023 
1 1 1 7   6   4  f 196.9651 7.252143 930.5480       68.17448 0.000000       0.000000 930.5480       68.17448 ?        ?        196.9651 7.252143 0.000000       7.252143 
1 1 1 7   6   5  o 153.3222 6.696905 563.9719       48.97097 588.8395       94.48135 554.8372       57.26321 155.9482 12.78449 151.9641 7.909038 3.984161       15.03316 
1 1 1 7   6   6  o 340.4081 13.37807 2792.353       217.2977 2832.990       306.8633 2751.481       307.7493 341.5383 18.86634 336.4771 19.21063 5.061279       26.92558 
1 1 1 7   6   7  o 91.56594 9.233267 203.0316       39.86868 183.8266       54.72776 224.7492       58.19772 86.37426 13.71058 95.82054 13.04217 -9.446281      18.92295 
1 1 1 7   6   8  o 256.5323 9.236976 1579.377       113.1021 1676.026       199.5176 1533.612       137.2928 263.2702 15.92601 252.5196 11.40161 10.75064       19.58659 
1 1 1 7   6   9  f 270.7035 11.61668 1761.676       149.9934 1700.850       210.7672 1824.093       213.5048 265.1742 16.71003 274.7200 16.32950 -9.545807      23.36403 
1 1 1 7   6   10 o 153.9884 9.666655 570.4315       70.80696 558.0044       97.45306 584.3281       103.0538 151.8249 13.56880 155.3271 14.02846 -3.502243      19.51692 
1 1 1 7   6   11 o 429.1634 10.03630 4413.427       205.9229 4148.732       441.5193 4487.011       232.7928 413.5197 22.41672 432.4445 11.26941 -18.92490      25.09001 
1 1 1 7   6   12 o 302.0887 12.48785 2192.955       179.9670 2098.850       251.2011 2292.189       257.9569 294.6994 17.91390 308.0793 17.58669 -13.37991      25.10377 
1 1 1 7   6   13 o 131.6914 11.07495 418.6349       69.08257 417.8056       97.22482 419.4805       98.17718 130.8914 15.85978 131.1361 15.98981 -0.2446136     22.52125 
1 1 1 7   6   14 o 379.6096 9.844513 3454.803       178.5144 3552.348       204.3049 3139.957       367.0500 384.7813 11.11762 359.8893 21.42984 24.89197       24.14207 
1 1 1 7   6   15 o 84.05307 20.75823 177.3533       82.91599 89.91515       104.3587 327.0523       136.5487 67.62629 24.74353 113.8662 25.69559 -46.23996      35.67220 
1 1 1 7   6   16 o 181.7010 16.09278 800.4663       138.3526 732.9664       162.8611 975.4858       262.2461 173.1096 20.04852 198.0888 28.51127 -24.97913      34.85450 
1 1 1 7   6   17 o 201.8107 16.25174 986.6486       155.4774 997.8453       184.7955 959.5181       287.6580 202.4094 19.33099 195.3912 31.89294 7.018204       37.29406 
1 1 1 7   6   18 o 164.0490 16.14291 654.2429       124.9704 824.1746       164.0929 419.5665       192.8356 183.7942 18.94566 128.1782 31.65724 55.61607       36.89335 
1 1 1 7   6   19 o 174.8824 15.50163 742.2586       128.2669 744.1066       171.0777 739.8860       193.8410 174.0247 20.98557 172.7845 24.12223 1.240143       31.97305 
1 1 1 7   6   20 o 134.8828 20.53612 451.0830       128.2551 464.2259       146.0395 406.7646       268.1739 136.2359 23.25590 126.8104 39.76089 9.425491       46.06262 
1 1 1 7   6   21 o 114.3551 20.19477 326.8911       106.3727 157.9514       138.5225 569.6821       166.0622 83.26167 28.70121 150.8880 23.80871 -67.62633      37.29094 
1 1 1 7   6   22 o 280.7495 14.30677 1907.494       191.3968 2246.933       263.9416 1531.058       277.9536 303.6368 18.26661 248.7204 23.65967 54.91638       29.89062 
1 1 1 7   6   23 o 140.8032 27.24367 508.1463       176.7634 573.4274       232.4019 418.5486       272.2668 147.6845 33.66601 126.5953 40.11271 21.08927       52.36822 
1 1 1 7   6   24 o 119.0216 21.20826 357.7794       116.2555 443.4565       155.1252 248.0049       175.5903 131.4939 25.59679 99.41344 32.28472 32.08047       41.20071 
1 1 1 7   6   25 o 117.8047 26.62082 360.8390       146.3887 456.5457       250.7878 311.3763       180.2909 129.8900 37.98907 108.9630 32.30138 20.92703       49.86530 
1 1 1 7   6   26 o 250.7764 14.96935 1533.968       178.6557 1792.035       246.2630 1247.243       259.5770 269.4178 19.24573 222.0903 24.87398 47.32748       31.45016 
1 1 1 7   6   27 o 72.39102 26.00147 115.8672       114.5390 19.34324       159.8382 217.7505       164.2157 66.98778 28.50276 93.33186 31.26264 -26.34408      42.30555 
1 1 1 7   6   28 f 129.1348 25.90885 434.8548       154.3876 604.7753       286.1708 365.0947       183.3606 146.4759 39.82539 116.4478 31.96785 30.02808       51.06863 
1 1 1 7   6   29 o 107.9012 25.74185 306.9568       130.9305 156.9693       187.5203 449.6346       182.8938 86.14925 32.83079 129.2833 30.14719 -43.13407      44.57257 
1 1 1 7   6   30 o 159.0712 19.90759 638.6276       148.0915 643.1960       210.0980 634.1165       208.7742 155.1157 29.40661 153.9774 29.43288 1.138367       41.60580 
1 1 1 7   6   31 f 117.5656 26.77803 368.7913       147.1347 237.3614       203.7077 512.1428       212.7461 96.91912 34.69190 135.9559 33.05552 -39.03678      47.91863 
1 1 1 7   6   32 o 112.9298 31.99497 353.2681       180.5783 -62.67640      336.0934 522.0707       214.1075 84.56834 38.36766 136.7127 33.11251 -52.14437      50.68053 
1 1 1 7   6   33 o 84.22033 32.29485 162.0043       182.1847 85.29148       353.0077 189.8549       212.7001 93.20540 40.98491 89.97346 34.79151 3.231941       53.76068 
1 1 1 7   6   34 o 90.31426 31.53482 219.6479       167.4736 299.2421       356.6304 197.1297       189.6903 106.6590 43.75352 88.36324 33.16661 18.29572       54.90350 
1 1 1 7   6   35 o 140.5901 28.66299 554.3506       186.1165 607.2204       382.1772 537.9140       213.0923 130.8772 47.43107 135.0332 33.23591 -4.155975      57.91660 
1 1 1 7   6   36 o 126.6517 38.16404 529.4720       250.1057 747.5655       389.0502 375.8542       326.5166 137.6335 48.06355 106.5023 42.51616 31.13117       64.16953 
1 1 1 7   6   37 o 91.56013 32.11718 260.7961       173.8400 233.4196       390.4223 267.5659       194.1478 93.32339 41.93533 92.15862 33.74445 1.164780       53.82620 
1 1 1 7   6   38 o 45.01926 22.15968 -268.1514      168.0414 -907.3867      405.1724 -135.3543      184.6732 57.95441 29.34354 54.15498 25.80620 3.799435       39.07689 
1 1 1 7   6   39 o 72.58716 30.18202 145.2905       172.8295 291.3329       410.9450 113.9084       190.4957 87.23046 40.59612 70.51398 30.57164 16.71648       50.81998 
1 1 1 7   7   0  o 518.1385 9.543825 6434.094       236.4159 6477.457       255.1130 6170.371       629.1408 519.7766 10.26615 502.5320 26.27770 17.24463       28.21190 
1 1 1 7   7   1  o 45.58185 9.993424 51.75814       21.17622 64.21283       27.03519 31.98577       34.06375 50.73294 11.42230 39.62736 14.18613 11.10558       18.21305 
1 1 1 7   7   2  o 240.0454 5.700646 1378.818       65.42229 1338.178       111.0387 1400.426       80.96835 236.0385 9.861453 241.7548 7.012794 -5.716324      12.10072 
1 1 1 7   7   3  f 313.9877 12.40248 2371.940       185.8122 0.000000       0.000000 2371.940       185.8122 ?        ?        313.9877 12.40248 0.000000       12.40248 
1 1 1 7   7   4  o 266.0132 11.14448 1701.231       141.4192 0.000000       0.000000 1701.231       141.4192 ?        ?        266.0132 11.14448 0.000000       11.14448 
1 1 1 7   7   5  o 77.19175 9.349074 144.9003       33.80000 0.000000       0.000000 144.9003       33.80000 ?        ?        77.19175 9.349074 0.000000       9.349074 
1 1 1 7   7   6  o 338.9936 9.226933 2756.129       149.4009 2763.238       303.5847 2753.857       171.6214 337.6631 18.88083 338.6732 10.61252 -1.010040      21.65898 
1 1 1 7   7   7  o 167.2427 8.574800 671.7687       68.33250 710.8556       88.57095 614.2940       107.4024 171.8181 10.83758 159.2160 14.26059 12.60210       17.91138 
1 1 1 7   7   8  o 373.6606 9.550197 3347.959       170.4676 3375.215       359.9154 3340.076       193.5542 373.1742 20.24932 373.0503 10.86400 0.1239014      22.97959 
1 1 1 7   7   9  o 440.4927 16.09655 4674.540       338.4144 4508.787       477.7183 4841.508       479.4670 430.7758 23.28247 446.6574 22.52579 -15.88162      32.39575 
1 1 1 7   7   10 o 365.5221 14.06713 3213.475       245.3669 3154.504       345.5526 3273.445       348.4682 360.9958 20.10121 367.8056 19.89094 -6.809875      28.27911 
1 1 1 7   7   11 o 640.7984 10.71519 9841.392       328.2690 9815.769       349.3118 10035.04       960.3090 639.8503 11.41896 640.0068 31.48131 -0.1564331     33.48829 
1 1 1 7   7   12 o 344.6381 13.72115 2855.802       225.6281 2883.399       316.1159 2827.144       322.1421 345.3455 19.22211 341.8328 19.79645 3.512634       27.59328 
1 1 1 7   7   13 o 263.5127 11.72381 1668.418       147.3297 1576.778       203.2820 1769.814       213.8291 255.4698 16.73590 270.7402 16.59963 -15.27048      23.57197 
1 1 1 7   7   14 o 518.8736 18.67808 6497.475       462.5866 6289.058       652.0845 6708.613       656.3286 507.8686 26.95269 524.8445 26.23988 -16.97595      37.61620 
1 1 1 7   7   15 o 660.3610 33.19100 10733.62       1044.517 0.000000       0.000000 10733.62       1044.517 ?        ?        660.3610 33.19100 0.000000       33.19100 
1 1 1 7   7   16 f 83.39339 26.07423 168.0252       115.4089 131.1667       179.2618 194.1167       150.8232 85.05694 32.17280 90.89140 29.94608 -5.834465      43.95290 
1 1 1 7   7   17 o 540.7665 19.34357 7071.389       499.2921 6729.296       700.4692 7424.719       711.8805 524.1985 28.05236 551.1201 27.10107 -26.92163      39.00517 
1 1 1 7   7   18 o 199.1536 14.21032 958.5615       134.4118 997.6922       175.3080 902.7478       209.3693 202.4863 18.30670 191.4362 23.35920 11.05002       29.67806 
1 1 1 7   7   19 o 395.9160 16.04574 3785.086       303.0892 3811.063       421.6026 3757.300       436.0269 395.4031 22.39411 392.2636 23.35596 3.139557       32.35733 
1 1 1 7   7   20 o 270.1490 14.22473 1762.851       183.0722 1799.477       250.3073 1720.723       268.4502 271.7525 19.39347 265.1732 21.35559 6.579346       28.84731 
1 1 1 7   7   21 o 273.5238 14.37522 1809.555       187.3229 2121.525       258.6955 1465.673       271.6048 295.1583 18.42455 243.5803 23.61924 51.57803       29.95551 
1 1 1 7   7   22 o 177.5593 18.04658 773.4263       151.0695 617.9155       179.0238 1158.044       281.5433 156.6655 24.72051 214.2659 28.16562 -57.60040      37.47541 
1 1 1 7   7   23 o 139.6924 18.06226 482.6108       117.8085 816.9916       156.6276 46.99167       178.7727 182.2847 18.21628 73.93037 30.71486 108.3543       35.71043 
1 1 1 7   7   24 o 187.8629 17.70012 868.0307       157.1003 830.7263       244.4125 894.2935       205.0753 179.4212 29.51887 188.8627 23.19895 -9.441544      37.54404 
1 1 1 7   7   25 o 193.4142 15.49962 915.3062       142.1249 1032.167       192.1861 774.2605       211.1380 203.9815 19.96237 174.0613 26.18224 29.92020       32.92424 
1 1 1 7   7   26 o 175.7572 24.16620 783.9425       197.6925 189.2822       259.0612 1613.069       305.8992 97.90624 38.24527 252.2928 25.72025 -154.3866      46.08939 
1 1 1 7   7   27 o 158.6654 18.29119 625.9326       136.2134 720.5023       179.9717 499.1121       208.4121 168.6364 22.91488 136.1909 32.46856 32.44559       39.74040 
1 1 1 7   7   28 o 168.4646 17.96436 705.1706       142.4571 531.2185       190.1039 927.9590       215.1407 141.6489 29.04753 190.8453 24.11696 -49.19644      37.75430 
1 1 1 7   7   29 o 214.3160 18.36654 1142.212       186.3747 932.5888       305.8195 1266.066       235.0716 183.7305 36.10390 223.7398 22.27146 -40.00923      42.42063 
1 1 1 7   7   30 o 171.9742 18.36526 740.0687       148.6629 1349.386       210.1825 130.0723       210.2996 232.3614 19.08828 84.99012 34.05582 147.3713       39.04051 
1 1 1 7   7   31 o 172.6453 18.90668 748.7618       153.5061 767.9927       216.1452 729.1909       218.0482 170.5638 27.43677 165.4642 28.59795 5.099518       39.63104 
1 1 1 7   7   32 o 284.8035 16.09553 2006.493       218.2669 2214.216       309.9853 1802.243       307.3832 294.8926 22.14900 264.0028 24.63811 30.88974       33.13027 
1 1 1 7   7   33 o 111.6073 32.98932 356.4788       188.2745 10.81854       333.7202 517.8647       228.0292 86.63491 38.86300 132.9780 35.28766 -46.34309      52.49335 
1 1 1 7   7   34 o 103.1055 31.77038 304.5509       172.0443 -277.2790      330.0306 521.6655       201.6047 71.26900 34.10802 134.6949 31.81713 -63.42593      46.64426 
1 1 1 7   7   35 o 102.2735 28.56175 297.3445       144.9880 483.9334       208.8858 123.8780       201.4067 127.1833 33.78503 79.96578 32.85051 47.21754       47.12308 
1 1 1 7   7   36 o 57.90984 26.72001 -69.66233      172.3703 -30.73397      203.4163 -168.8012      324.6195 65.37129 29.73304 72.25334 34.36941 -6.882050      45.44568 
1 1 1 7   7   37 o 112.8963 33.42960 416.4019       193.1936 466.9890       234.4930 309.5074       340.8693 115.4291 37.29470 96.34866 41.32528 19.08044       55.66573 
1 1 1 7   7   38 o 79.64355 29.81589 189.9029       153.0894 249.1675       226.7417 140.2541       207.5335 87.44681 35.24997 76.34496 32.48092 11.10185       47.93298 
1 1 1 7   7   39 o 112.4501 29.27395 417.5608       158.8913 979.9959       245.0291 9.445332       208.7242 172.4440 30.85367 63.71972 29.40154 108.7243       42.61924 
1 1 1 7   8   0  o 225.5811 10.35523 1221.977       111.3810 1171.839       157.2923 1272.401       157.7416 220.3328 15.02191 229.7155 14.43608 -9.382645      20.83406 
1 1 1 7   8   1  o 336.5707 8.513829 2714.329       136.8866 2428.848       283.3866 2801.211       156.3347 316.8750 18.79046 341.8118 9.576092 -24.93680      21.08987 
1 1 1 7   8   2  o 144.4635 6.407232 500.3665       44.14233 636.1728       66.65894 394.2989       58.91010 162.7604 8.596946 127.9174 9.705203 34.84296       12.96528 
1 1 1 7   8   3  o 481.2896 7.289545 5544.679       167.7317 0.000000       0.000000 5544.679       167.7317 ?        ?        481.2896 7.289545 0.000000       7.289545 
1 1 1 7   8   4  f 500.5993 17.55363 6044.776       419.4622 0.000000       0.000000 6044.776       419.4622 ?        ?        500.5993 17.55363 0.000000       17.55363 
1 1 1 7   8   5  o 155.1305 8.500522 578.0422       62.80411 0.000000       0.000000 578.0422       62.80411 ?        ?        155.1305 8.500522 0.000000       8.500522 
1 1 1 7   8   6  f 241.8359 7.290900 1401.146       84.20038 1408.900       177.6368 1398.899       95.62540 241.5746 15.46177 241.5632 8.292368 0.1147461E-01  17.54507 
1 1 1 7   8   7  o 145.2285 8.901509 507.0183       61.50809 520.1473       81.67858 489.8203       93.48264 146.8052 11.73510 142.1440 13.93492 4.661148       18.21798 
1 1 1 7   8   8  o 292.8984 9.022454 2056.584       126.1920 2065.165       148.1310 2033.878       240.9568 293.3539 10.57931 290.1483 17.45110 3.205597       20.40742 
1 1 1 7   8   9  o 85.66528 10.60397 178.5358       42.50277 189.1365       57.04713 165.3096       63.72112 87.66777 14.08803 81.40790 16.92493 6.259872       22.02103 
1 1 1 7   8   10 o 459.8511 16.79769 5093.595       368.6759 5150.043       520.3749 5036.705       522.4039 460.6718 23.70716 455.4544 24.07680 5.217407       33.78937 
1 1 1 7   8   11 o 93.74156 12.44521 214.4504       54.39874 198.8919       78.05139 229.1468       75.85834 89.20046 18.89107 96.17618 17.12576 -6.975716      25.49832 
1 1 1 7   8   12 o 292.5045 12.48281 2056.256       174.1620 2254.733       249.4390 1867.459       243.2810 305.6191 17.14034 277.8257 18.41987 27.79343       25.16114 
1 1 1 7   8   13 o 328.8782 11.71996 2597.212       183.9818 2584.206       302.0381 2604.885       231.9877 326.7737 19.42091 328.9272 14.79004 -2.153534      24.41141 
1 1 1 7   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   8   15 o 170.0725 16.07243 702.0760       129.1343 557.6694       199.4030 806.3856       169.4728 148.7086 29.08945 181.7093 19.82951 -33.00067      35.20520 
1 1 1 7   8   16 o 462.5231 17.52901 5163.699       386.9122 5495.436       543.7811 4823.545       550.6362 475.1847 24.01394 444.4131 26.03006 30.77161       35.41516 
1 1 1 7   8   17 o 749.6321 26.01845 13712.88       931.0630 13903.57       1314.584 13520.94       1318.871 747.1828 36.91473 736.2619 37.59253 10.92090       52.68677 
1 1 1 7   8   18 o 291.6245 13.76612 2049.648       191.3887 1897.164       259.9210 2230.236       282.8608 279.3600 19.58525 302.9862 19.63298 -23.62616      27.73150 
1 1 1 7   8   19 o 291.5611 13.94983 2050.931       193.8854 1905.069       262.6331 2225.640       287.4326 279.6664 19.77011 302.3226 19.99885 -22.65616      28.12136 
1 1 1 7   8   20 o 394.5073 11.69151 3744.816       220.2696 3456.897       283.4544 4183.726       349.9734 378.0217 15.71834 415.2978 17.66690 -37.27612      23.64710 
1 1 1 7   8   21 o 130.1038 23.79666 427.4426       142.5651 636.1318       227.5011 292.4980       182.9410 157.0279 31.40187 107.3382 32.70229 49.68968       45.33781 
1 1 1 7   8   22 o 247.6439 14.51980 1487.487       171.1541 1524.995       233.4787 1443.917       251.6368 249.2485 19.75469 241.7266 22.01548 7.521927       29.57920 
1 1 1 7   8   23 o 317.7129 15.00638 2451.427       227.2951 2685.985       315.6390 2198.785       327.5811 330.5918 20.06504 297.6037 23.20689 32.98807       30.67842 
1 1 1 7   8   24 o 153.4722 21.13235 590.0776       150.9433 656.5851       176.4023 408.2542       291.6714 161.1759 23.59110 124.4858 41.66390 36.69003       47.87923 
1 1 1 7   8   25 f 115.5938 27.47019 349.8222       149.5607 428.2099       261.8682 311.8751       182.2001 125.8122 39.26742 108.8370 32.52303 16.97525       50.98703 
1 1 1 7   8   26 o 194.1128 16.27404 925.6131       149.6391 1197.173       205.3189 617.9457       218.5430 219.6099 19.76679 152.7891 30.97970 66.82079       36.74871 
1 1 1 7   8   27 o 88.24289 33.80939 159.7634       199.5622 112.6909       264.3027 222.1880       304.3659 90.63999 37.47344 104.2814 41.23606 -13.64141      55.71958 
1 1 1 7   8   28 o 292.0581 16.28001 2095.491       226.4176 2151.907       293.8874 2013.106       355.1463 293.3276 21.09747 279.8755 26.87181 13.45209       34.16427 
1 1 1 7   8   29 o 262.8474 15.43713 1697.581       193.1357 1466.876       261.8110 1973.016       286.0685 240.2695 23.07528 279.9463 21.53955 -39.67682      31.56613 
1 1 1 7   8   30 o 144.6944 21.46961 535.4528       144.0224 762.9923       192.1216 243.5391       217.6081 171.9080 24.03184 98.49445 35.77689 73.41354       43.09890 
1 1 1 7   8   31 o 57.52285 24.98035 -3.049020      127.6174 -107.5742      175.5270 114.1618       185.8735 58.32265 26.92940 80.11212 32.04557 -21.78947      41.85823 
1 1 1 7   8   32 o 159.5242 20.44509 649.6627       152.3479 728.0241       212.7833 567.2421       218.2247 164.7328 28.02010 142.2039 32.77147 22.52888       43.11722 
1 1 1 7   8   33 o 80.35933 30.77952 146.5859       165.3632 257.3239       298.0865 97.35654       198.7496 101.3448 40.56720 78.28245 32.44215 23.06232       51.94411 
1 1 1 7   8   34 o 95.80266 31.01970 259.1321       162.1693 687.9467       310.0412 97.62734       190.2731 145.4376 42.15425 76.59243 31.74237 68.84519       52.76892 
1 1 1 7   8   35 o 90.63047 28.73167 231.6829       139.6702 301.7898       192.9421 154.4981       202.4476 100.9094 33.88791 82.88471 33.34418 18.02470       47.54182 
1 1 1 7   8   36 o 88.66781 29.28700 230.8540       144.2266 14.67696       200.1678 464.2601       207.9915 67.88358 30.30018 120.5050 34.40323 -52.62146      45.84412 
1 1 1 7   8   37 o 59.90835 27.25373 -21.73792      171.0128 -76.31596      197.8955 139.2094       339.8355 60.00926 28.00886 85.05177 38.58448 -25.04251      47.67870 
1 1 1 7   8   38 o 74.69524 30.76604 147.6960       177.2638 244.2727       206.0507 -127.3225      347.7114 85.99210 33.95217 70.92639 34.21674 15.06570       48.20306 
1 1 1 7   8   39 o 91.81359 30.17207 293.5663       153.1452 725.0111       222.0497 -97.84023      211.4957 143.4837 33.05106 57.42677 27.43466 86.05695       42.95385 
1 1 1 7   9   0  o 108.7565 7.700280 284.5074       39.77891 307.6389       55.19226 259.5027       57.38344 112.8469 10.34510 103.3717 11.82364 9.475174       15.71049 
1 1 1 7   9   1  o 367.8366 7.093040 3237.826       124.7371 3144.379       175.3469 3333.562       177.4823 362.1467 10.13754 372.9086 9.963997 -10.76190      14.21447 
1 1 1 7   9   2  o 226.1782 6.302065 1224.860       68.07983 1196.522       105.6231 1245.001       89.04462 223.2735 9.919711 227.9053 8.185605 -4.631805      12.86098 
1 1 1 7   9   3  f 437.1564 9.170570 4576.596       191.6644 0.000000       0.000000 4576.596       191.6644 ?        ?        437.1564 9.170570 0.000000       9.170570 
1 1 1 7   9   4  o 340.2340 8.718390 2773.551       141.6982 0.000000       0.000000 2773.551       141.6982 ?        ?        340.2340 8.718390 0.000000       8.718390 
1 1 1 7   9   5  o 244.3592 7.380371 1430.368       86.12261 0.000000       0.000000 1430.368       86.12261 ?        ?        244.3592 7.380371 0.000000       7.380371 
1 1 1 7   9   6  o 141.6952 8.048428 482.1674       54.29814 0.000000       0.000000 482.1674       54.29814 ?        ?        141.6952 8.048428 0.000000       8.048428 
1 1 1 7   9   7  f 264.8907 6.078195 1678.666       76.97498 1698.161       134.0647 1669.079       94.01629 265.9983 10.56310 263.9741 7.457080 2.024170       12.93009 
1 1 1 7   9   8  o 356.9082 9.446677 3053.129       161.0505 2840.846       320.4679 3124.858       186.2825 342.7357 19.63988 360.9324 10.80755 -18.19669      22.41714 
1 1 1 7   9   9  o 537.0097 19.16250 6958.555       491.1859 7398.274       694.0610 6517.360       695.2239 551.4525 26.40247 516.8482 28.24274 34.60431       38.66191 
1 1 1 7   9   10 o 182.1891 12.15785 799.6155       105.2919 848.4009       157.2669 759.9824       141.7495 186.8927 17.81628 176.9340 16.96481 9.958710       24.60132 
1 1 1 7   9   11 o 170.9536 11.67550 704.0557       94.85223 825.6404       127.4844 553.2846       141.9634 184.8309 14.54403 150.0998 20.30290 34.73109       24.97472 
1 1 1 7   9   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   9   13 o 271.6052 12.96261 1774.727       167.8354 2156.920       235.0863 1377.414       239.6909 298.9307 16.51350 237.7924 21.30930 61.13834       26.95889 
1 1 1 7   9   14 o 723.0263 25.14947 12714.78       868.0197 13671.03       1226.590 11755.47       1228.543 744.1329 34.57236 687.9935 37.49230 56.13934       50.99923 
1 1 1 7   9   15 o 568.2421 12.26187 7750.304       333.1182 8272.990       796.6561 7639.549       366.7168 581.1213 28.76388 563.9025 13.60249 17.21881       31.81806 
1 1 1 7   9   16 o 356.5588 12.87618 3057.594       219.1356 3051.916       349.4173 3061.275       281.3391 354.5339 20.70487 356.0681 16.57225 -1.534180      26.52039 
1 1 1 7   9   17 o 388.8654 13.60234 3640.138       252.4945 4127.174       427.8523 3379.877       312.7649 411.8957 21.80460 373.8139 17.54964 38.08182       27.98983 
1 1 1 7   9   18 o 308.8105 14.23418 2300.725       209.5864 2469.395       297.4293 2134.371       295.3811 318.6658 19.61780 295.7946 21.02443 22.87125       28.75560 
1 1 1 7   9   19 o 321.1606 11.88782 2483.050       182.2144 3037.148       274.2560 2045.169       243.8038 354.1987 16.23894 290.1561 17.65882 64.04266       23.99036 
1 1 1 7   9   20 o 73.86749 27.55001 105.8713       130.4583 56.74377       216.1460 134.0238       163.6225 81.37119 33.78683 82.53972 30.83988 -1.168533      45.74548 
1 1 1 7   9   21 o 142.2462 18.37185 499.7669       122.0251 596.6706       157.9343 356.2386       192.2097 154.6534 21.97846 117.0729 32.95445 37.58051       39.61122 
1 1 1 7   9   22 o 97.78354 27.86899 245.4450       136.6007 -112.6179      210.3575 506.5325       179.6269 66.06352 30.12070 140.2386 27.77415 -74.17511      40.97145 
1 1 1 7   9   23 o 133.9219 23.64581 456.2000       145.8622 446.8235       223.0193 463.2092       192.8207 129.2801 35.16068 132.6329 30.97258 -3.352798      46.85695 
1 1 1 7   9   24 f 224.5115 14.86579 1229.361       158.6655 1249.533       209.9440 1202.495       242.2896 224.6740 19.74596 218.8174 23.52960 5.856522       30.71718 
1 1 1 7   9   25 o 150.6741 18.95267 565.7241       133.5131 377.1848       177.0608 814.2197       203.2736 119.0974 30.85142 179.0750 24.37528 -59.97761      39.31875 
1 1 1 7   9   26 o 79.51360 29.60962 133.5464       150.5788 -131.9874      274.2468 248.1450       180.1653 74.54463 34.14056 98.67059 32.73849 -24.12596      47.30102 
1 1 1 7   9   27 o 292.0730 15.34643 2087.538       213.5406 2038.213       297.0814 2140.265       307.1546 285.1760 21.95882 292.1427 22.15665 -6.966644      31.19467 
1 1 1 7   9   28 o 203.8064 23.75094 1059.508       227.0914 1029.473       307.9937 1095.288       336.1635 194.5540 34.36911 199.2216 36.64431 -4.667526      50.23984 
1 1 1 7   9   29 o 171.6825 19.05594 739.8339       153.7787 897.7411       211.0703 561.1896       224.5024 186.7513 24.20960 142.4300 33.52937 44.32132       41.35606 
1 1 1 7   9   30 o 78.70831 31.18920 113.4559       174.4602 829.4578       315.0799 -203.1160      209.5076 169.1689 39.65235 58.88469 27.89410 110.2842       48.48082 
1 1 1 7   9   31 o 72.40614 28.48124 96.11865       144.5148 -59.61715      198.2686 272.6346       211.0823 65.78309 29.69326 101.3276 35.40168 -35.54453      46.20572 
1 1 1 7   9   32 o 122.4030 27.42533 408.2007       156.5041 575.6167       220.9453 239.6131       221.7171 142.3980 33.08685 96.49870 35.93045 45.89932       48.84401 
1 1 1 7   9   33 o 236.5263 16.33080 1400.113       183.5358 1307.874       262.5726 1488.235       256.6466 221.9190 25.19371 239.0114 22.73335 -17.09242      33.93417 
1 1 1 7   9   34 o 186.9632 21.35748 911.9388       187.4830 1289.358       332.7205 736.3506       226.9423 210.1570 34.29699 161.0170 30.59884 49.13997       45.96272 
1 1 1 7   9   35 o 41.55344 20.16098 -181.5534      125.1204 -212.0851      173.9688 -148.8378      180.0834 50.07973 24.17043 54.62061 25.87036 -4.540886      35.40459 
1 1 1 7   9   36 o 37.71758 18.71450 -267.4895      128.6759 -478.1937      182.4245 -58.84855      181.5291 40.93569 20.59780 59.41964 27.41809 -18.48394      34.29316 
1 1 1 7   9   37 o 163.9656 21.31418 736.7625       163.1315 773.4763       223.5044 694.9063       238.6445 157.9846 30.69760 144.1532 34.98572 13.83133       46.54399 
1 1 1 7   9   38 o 64.38126 27.24460 82.92271       144.6921 212.4276       198.9458 -62.50447      210.8213 81.27635 32.92672 60.51189 28.45572 20.76446       43.51892 
1 1 1 7   9   39 o 76.21697 31.17477 194.0079       180.3886 87.53783       207.4269 524.4094       365.4030 67.73093 30.48971 96.26344 42.02991 -28.53251      51.92433 
1 1 1 7   10  0  o 355.6738 13.71607 3040.746       232.7958 3008.037       329.0458 3073.525       329.4006 352.7445 19.58829 356.6142 19.39343 -3.869690      27.56458 
1 1 1 7   10  1  o 328.3830 12.99151 2591.105       203.5592 2625.985       287.7912 2556.184       287.9612 329.7540 18.32697 325.2798 18.59438 4.474243       26.10802 
1 1 1 7   10  2  o 266.8777 6.889662 1705.432       87.83250 1674.004       127.8430 1733.528       120.8773 264.1447 10.14225 268.8735 9.418020 -4.728790      13.84068 
1 1 1 7   10  3  o 692.5479 10.66223 11493.19       353.0256 0.000000       0.000000 11493.19       353.0256 ?        ?        692.5479 10.66223 0.000000       10.66223 
1 1 1 7   10  4  o 248.5595 8.718054 1481.101       103.4392 0.000000       0.000000 1481.101       103.4392 ?        ?        248.5595 8.718054 0.000000       8.718054 
1 1 1 7   10  5  o 226.4036 8.760660 1229.187       94.64729 0.000000       0.000000 1229.187       94.64729 ?        ?        226.4036 8.760660 0.000000       8.760660 
1 1 1 7   10  6  o 298.2136 9.911347 2132.798       141.1123 0.000000       0.000000 2132.798       141.1123 ?        ?        298.2136 9.911347 0.000000       9.911347 
1 1 1 7   10  7  o 170.6274 7.983426 698.4575       64.94425 740.8755       114.3964 678.2845       78.88985 175.1440 13.77256 167.9778 9.866826 7.166107       16.94219 
1 1 1 7   10  8  o 632.9005 10.37679 9598.703       313.9835 0.000000       0.000000 9598.703       313.9835 ?        ?        632.9005 10.37679 0.000000       10.37679 
1 1 1 7   10  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   10  10 o 738.7936 36.53878 13491.51       1286.578 13491.51       1286.578 0.000000       0.000000 738.7936 36.53878 ?        ?        0.000000       36.53878 
1 1 1 7   10  11 o 356.2683 14.30672 3054.141       243.1876 3025.141       342.8487 3083.507       344.9997 353.3811 20.37965 356.8010 20.30867 -3.419861      28.77104 
1 1 1 7   10  12 o 484.9038 8.815675 5631.731       204.3711 5669.404       275.7633 5585.828       304.4032 486.1364 11.86506 482.1554 13.21794 3.980988       17.76214 
1 1 1 7   10  13 o 628.8047 11.18847 9482.953       336.3526 9493.525       361.0451 9413.497       925.4083 628.9981 12.00615 618.8019 31.38294 10.19617       33.60114 
1 1 1 7   10  14 o 616.2047 21.69065 9206.333       638.0108 9246.349       900.6557 9166.026       903.9202 613.1770 30.82190 610.3593 31.07908 2.817749       43.77098 
1 1 1 7   10  15 o 429.6231 16.42673 4453.718       336.7800 4717.302       474.6795 4186.552       477.8944 440.3551 22.62284 414.2395 24.23670 26.11563       33.15435 
1 1 1 7   10  16 o 342.4035 11.05852 2816.480       180.7897 2708.955       249.9796 2934.395       261.7787 334.9624 15.65319 348.6298 15.74649 -13.66742      22.20303 
1 1 1 7   10  17 o 372.3213 13.28984 3338.935       236.1832 3754.501       395.4259 3108.457       294.4829 392.6228 21.14396 358.2923 17.24213 34.33051       27.28292 
1 1 1 7   10  18 o 276.5980 13.55751 1846.871       178.7361 1840.567       241.8860 1854.453       265.2714 274.9723 18.50761 275.5179 20.28086 -0.5456238     27.45624 
1 1 1 7   10  19 o 509.4164 18.92984 6312.970       460.2270 6513.717       647.1843 6107.598       654.5975 513.2518 26.46416 496.1635 27.70572 17.08835       38.31395 
1 1 1 7   10  20 o 453.1337 17.42717 4991.364       376.8350 4990.893       528.2040 4991.854       537.7753 449.3839 24.68007 449.1493 25.14427 0.2345886      35.23266 
1 1 1 7   10  21 o 45.69733 21.47758 -121.3390      119.8170 -104.3906      132.7248 -195.9804      278.5338 50.27098 23.28379 72.75071 33.70760 -22.47973      40.96751 
1 1 1 7   10  22 o 102.3806 24.65360 270.2784       119.2217 204.0276       156.7929 361.0843       183.5642 91.41009 30.54672 117.1026 31.92015 -25.69256      44.18142 
1 1 1 7   10  23 o 223.6610 14.76141 1219.409       156.9609 1299.685       204.0987 1103.204       245.5601 229.6014 18.75665 208.8963 25.08925 20.70515       31.32542 
1 1 1 7   10  24 o 376.2235 16.28607 3457.989       292.2408 3817.933       402.7968 3057.927       424.6502 392.2222 21.56352 348.2046 25.68959 44.01761       33.54013 
1 1 1 7   10  25 o 132.5101 31.17924 468.6183       194.2084 510.0266       240.8766 391.7004       328.2956 136.4868 36.29082 122.5922 44.02189 13.89463       57.05217 
1 1 1 7   10  26 o 384.8994 16.70683 3634.307       306.7002 4288.099       425.8600 2929.786       442.0732 414.6852 21.55426 338.0900 27.58943 76.59525       35.01090 
1 1 1 7   10  27 o 246.1968 15.22219 1486.065       178.2949 1407.430       237.7121 1587.195       269.5775 236.8047 21.22153 250.7141 22.73735 -13.90942      31.10210 
1 1 1 7   10  28 o 130.5892 25.22790 446.7940       151.8044 545.0333       171.2381 86.18360       328.0779 144.3159 25.76399 94.06638 40.44741 50.24957       47.95598 
1 1 1 7   10  29 o 53.23219 24.10304 -56.64724      131.8484 -138.8836      179.3829 39.98483       194.4508 57.04894 26.64016 73.74912 31.41068 -16.70018      41.18652 
1 1 1 7   10  30 o 96.07243 28.85912 247.1809       143.1786 229.6293       196.0628 267.2367       209.5831 95.20917 34.03990 100.8085 35.27186 -5.599365      49.01855 
1 1 1 7   10  31 o 55.94903 26.11932 -128.9693      172.2436 -642.5399      321.7264 77.37603       203.9314 59.62063 29.58391 77.97159 32.63057 -18.35096      44.04500 
1 1 1 7   10  32 o 107.6841 27.69807 320.5137       143.4017 156.4487       186.3283 558.8770       224.5901 83.50643 32.48796 138.7253 34.10652 -55.21891      47.10331 
1 1 1 7   10  33 o 84.11927 29.17657 187.7925       143.2384 49.03848       187.9852 379.8722       221.1779 71.58128 30.69539 112.3585 36.21320 -40.77724      47.47213 
1 1 1 7   10  34 o 77.99911 31.49729 125.3909       181.3874 -120.6297      326.0026 235.7047       218.2982 76.50129 35.78576 93.05134 35.43194 -16.55005      50.35915 
1 1 1 7   10  35 o 109.3514 27.74294 347.8059       145.2450 428.6873       212.5506 276.9517       198.9394 115.5739 35.25713 95.34933 34.26498 20.22457       49.16456 
1 1 1 7   10  36 o 103.6823 28.54434 327.3401       145.9551 456.3885       213.8135 214.7334       199.7290 116.0018 35.35659 85.23502 33.49643 30.76676       48.70420 
1 1 1 7   10  37 o 48.80423 23.06878 -100.4017      141.8298 86.90837       215.1666 -244.3183      188.6035 72.34543 31.89784 49.33392 24.11632 23.01151       39.98836 
1 1 1 7   10  38 o 105.3846 29.60378 372.0618       155.2763 320.0861       227.3682 417.4904       212.5660 90.48695 35.68436 103.3662 35.55698 -12.87926      50.37531 
1 1 1 7   11  0  f 504.5837 18.02094 6139.176       434.0313 6416.285       613.7211 5861.900       613.9048 513.8120 25.05938 490.6595 26.26625 23.15247       36.30273 
1 1 1 7   11  1  o 306.3124 7.341727 2245.650       107.5155 2454.241       151.8898 2036.177       152.2106 319.9053 9.943204 291.2531 10.95065 28.65216       14.79135 
1 1 1 7   11  2  o 1091.857 30.28735 29114.94       1579.486 28544.75       2734.909 29400.30       1934.765 1056.649 54.32051 1091.405 37.13357 -34.75647      65.79985 
1 1 1 7   11  3  o 338.6407 12.97082 2755.827       209.6097 0.000000       0.000000 2755.827       209.6097 ?        ?        338.6407 12.97082 0.000000       12.97082 
1 1 1 7   11  4  o 615.2346 10.08390 9069.291       296.6044 0.000000       0.000000 9069.291       296.6044 ?        ?        615.2346 10.08390 0.000000       10.08390 
1 1 1 7   11  5  o 648.1132 10.90945 10068.75       338.0355 0.000000       0.000000 10068.75       338.0355 ?        ?        648.1132 10.90945 0.000000       10.90945 
1 1 1 7   11  6  o 342.9868 9.128861 2819.589       149.5602 0.000000       0.000000 2819.589       149.5602 ?        ?        342.9868 9.128861 0.000000       9.128861 
1 1 1 7   11  7  o 383.4814 10.52696 3527.226       192.8166 0.000000       0.000000 3527.226       192.8166 ?        ?        383.4814 10.52696 0.000000       10.52696 
1 1 1 7   11  8  o 81.04124 11.35606 160.5271       42.79302 168.2489       69.52216 155.8168       54.29808 81.98087 18.21136 79.25398 14.87652 2.726883       23.51520 
1 1 1 7   11  9  o 447.4097 8.589532 4793.835       183.7313 4708.133       244.1679 4905.706       278.9659 442.9181 11.54056 451.8961 12.92559 -8.978058      17.32788 
1 1 1 7   11  10 f 253.8331 12.45983 1549.979       150.7438 1623.295       203.3599 1460.560       224.5847 259.1774 16.49757 245.2815 19.30725 13.89594       25.39566 
1 1 1 7   11  11 o 128.6410 15.83255 404.0887       95.32124 479.1093       116.8048 254.5129       164.9304 139.8765 17.87444 101.6266 31.06823 38.24991       35.84314 
1 1 1 7   11  12 o 319.8405 13.64057 2462.354       208.1018 2837.851       293.4929 2082.696       295.1144 342.5644 17.98336 292.6097 21.24028 49.95468       27.83075 
1 1 1 7   11  13 o 50.12486 19.10011 42.30926       63.46403 89.74918       77.52663 -54.06107      110.4970 63.22060 21.48056 49.39935 22.24411 13.82124       30.92272 
1 1 1 7   11  14 o 278.8794 12.74474 1872.383       169.4752 1776.153       231.9716 1982.547       248.1986 270.6349 18.03130 285.9425 18.25094 -15.30765      25.65589 
1 1 1 7   11  15 o 318.7751 10.94927 2441.904       166.6221 2712.250       222.4434 2096.311       251.5017 335.4532 13.90020 293.9831 17.98011 41.47012       22.72664 
1 1 1 7   11  16 o 58.89621 23.13844 50.35648       95.27885 132.2239       108.8071 -218.8276      197.2997 75.66877 25.44866 57.47596 27.17992 18.19281       37.23416 
1 1 1 7   11  17 o 148.7326 21.36122 549.2654       147.5412 906.6220       201.8587 139.3764       216.1871 191.4881 22.47683 90.10792 35.01170 101.3802       41.60561 
1 1 1 7   11  18 o 432.5222 16.71510 4537.015       344.9908 4794.663       485.7407 4274.754       490.0695 441.8148 23.07618 416.2749 24.73613 25.53992       33.82878 
1 1 1 7   11  19 o 167.7147 15.35138 686.0812       121.7275 793.2389       160.9418 542.8370       186.0783 179.5325 19.04065 145.6383 27.73729 33.89412       33.64377 
1 1 1 7   11  20 o 53.73555 23.92941 -41.21727      124.0920 -166.8720      207.8824 28.34399       154.6722 62.10292 28.89244 67.62304 28.36662 -5.520123      40.48997 
1 1 1 7   11  21 o 219.3467 18.32108 1182.700       190.3747 877.7311       246.6904 1631.753       299.3461 184.8607 28.85472 255.1533 24.85405 -70.29265      38.08304 
1 1 1 7   11  22 o 375.9760 13.28940 3425.628       238.5011 3888.990       300.9517 2643.262       391.0589 399.5254 15.78701 324.2984 25.42571 75.22702       29.92819 
1 1 1 7   11  23 o 179.0039 19.89087 797.6108       167.3546 1240.680       261.4012 489.8638       217.8555 221.3681 25.14423 134.9205 33.83792 86.44765       42.15729 
1 1 1 7   11  24 o 37.88576 18.60265 -227.5397      116.0974 -169.0740      147.1582 -323.9127      188.9345 48.84438 23.20748 49.78587 24.29391 -0.9414940     33.59734 
1 1 1 7   11  25 o 102.4231 26.62973 275.7971       131.5946 411.3317       172.5781 87.52010       203.4038 124.3075 29.48700 80.71046 33.06874 43.59708       44.30604 
1 1 1 7   11  26 o 172.3764 17.50615 737.2714       142.2714 895.9135       180.0469 473.5424       232.1428 189.0837 20.23103 130.7607 35.99863 58.32303       41.29403 
1 1 1 7   11  27 o 368.3325 14.07511 3313.233       247.4003 2659.042       312.7299 4407.456       404.4550 326.2792 20.14628 420.3062 20.18681 -94.02695      28.51982 
1 1 1 7   11  28 o 87.02721 27.31419 197.1338       126.5241 302.6572       158.8258 13.86382       209.3111 105.6869 30.02739 73.70805 32.00061 31.97881       43.88260 
1 1 1 7   11  29 o 125.7908 29.00692 428.5509       170.8808 301.4437       270.8662 512.5833       220.2384 107.5579 39.77625 135.2488 34.07981 -27.69090      52.37923 
1 1 1 7   11  30 o 66.25950 26.82133 64.60860       131.8857 123.0852       171.6162 -19.74264      206.1166 79.17260 31.06898 70.01225 31.02776 9.160347       43.90904 
1 1 1 7   11  31 o 101.3950 32.52085 287.1822       178.5242 299.1028       297.2859 280.4589       223.2629 105.9130 41.08345 101.2083 36.30802 4.704727       54.82812 
1 1 1 7   11  32 o 135.7833 27.94922 509.5785       175.3855 622.3328       199.4887 125.7296       368.0711 149.7512 28.91077 95.18049 41.85192 54.57070       50.86665 
1 1 1 7   11  33 o 128.5482 29.43747 470.1059       177.0111 377.4031       201.3190 785.9525       371.6008 112.1867 34.33027 149.1801 46.80857 -36.99335      58.04834 
1 1 1 7   11  34 o 84.89160 35.59924 151.0164       243.4824 64.08626       318.8789 272.5620       377.0598 84.50630 37.94212 100.8387 43.36064 -16.33239      57.61727 
1 1 1 7   11  35 o 88.53414 32.06754 236.1540       174.6589 216.1947       195.2754 315.9878       390.5425 86.30672 33.34609 98.92873 43.31664 -12.62201      54.66528 
1 1 1 7   11  36 o 51.72720 24.66397 -136.6155      169.2065 -221.4364      192.2455 155.0073       356.4639 51.20998 24.87960 85.63142 39.10641 -34.42144      46.34982 
1 1 1 7   11  37 o 93.32104 32.53917 302.6158       178.2760 295.2618       211.2026 320.8412       332.4890 90.60062 34.76409 90.80814 39.85837 -0.2075195     52.88886 
1 1 1 7   11  38 o 64.60829 30.47063 -8.133454      244.9029 -166.9021      349.3008 145.3726       343.4629 65.69702 32.26031 76.66715 36.13547 -10.97013      48.44068 
1 1 1 7   12  0  o 246.8085 11.04565 1463.563       130.0044 1435.731       183.3898 1491.678       184.3216 243.7922 15.81971 248.5529 15.58985 -4.760620      22.21051 
1 1 1 7   12  1  o 84.78692 8.636776 173.9428       34.52148 321.5795       54.20930 73.22633       44.77413 115.4201 9.920034 54.71803 16.06489 60.70211       18.88088 
1 1 1 7   12  2  o 409.9937 8.217021 4025.025       161.0645 3410.847       391.6021 4150.077       176.7024 374.8597 21.94683 416.2549 8.879219 -41.39514      23.67496 
1 1 1 7   12  3  o 361.4799 9.808777 3133.364       169.3580 0.000000       0.000000 3133.364       169.3580 ?        ?        361.4799 9.808777 0.000000       9.808777 
1 1 1 7   12  4  o 259.7148 8.978745 1617.589       111.3184 0.000000       0.000000 1617.589       111.3184 ?        ?        259.7148 8.978745 0.000000       8.978745 
1 1 1 7   12  5  o 575.8599 21.19762 8027.985       582.5999 0.000000       0.000000 8027.985       582.5999 ?        ?        575.8599 21.19762 0.000000       21.19762 
1 1 1 7   12  6  o 312.2336 10.15673 2339.077       151.4132 0.000000       0.000000 2339.077       151.4132 ?        ?        312.2336 10.15673 0.000000       10.15673 
1 1 1 7   12  7  o 471.7733 9.643949 5333.383       217.5187 0.000000       0.000000 5333.383       217.5187 ?        ?        471.7733 9.643949 0.000000       9.643949 
1 1 1 7   12  8  o 312.7554 8.324103 2344.231       124.3553 0.000000       0.000000 2344.231       124.3553 ?        ?        312.7554 8.324103 0.000000       8.324103 
1 1 1 7   12  9  o 369.4269 11.74802 3278.096       207.2284 3286.936       358.8390 3273.674       253.8341 368.1406 20.46872 368.7293 14.42690 -0.5887146     25.04204 
1 1 1 7   12  10 o 362.7278 14.32866 3168.513       247.9930 3059.500       343.4899 3287.206       358.4162 355.0974 20.31770 368.0801 20.44782 -12.98273      28.82572 
1 1 1 7   12  11 f 480.6386 17.82087 5582.409       408.7928 5748.768       573.2448 5410.268       583.1223 485.3356 24.78736 470.2939 26.03635 15.04178       35.94864 
1 1 1 7   12  12 o 238.4418 12.39880 1369.409       140.8562 1305.507       195.6135 1438.223       202.9929 231.8623 17.78228 243.4723 17.55696 -11.60997      24.98912 
1 1 1 7   12  13 o 615.8275 11.14654 9104.677       328.1766 9416.286       358.0655 7468.474       820.4952 626.0734 11.96269 548.8410 31.40056 77.23236       33.60210 
1 1 1 7   12  14 o 442.2355 11.00435 4696.497       232.6624 4922.173       267.1892 3988.646       473.2022 452.2985 12.36782 403.1588 24.66871 49.13974       27.59544 
1 1 1 7   12  15 o 156.4506 13.18306 593.3914       97.68906 653.8537       127.4584 507.3040       152.0884 163.6635 16.51519 142.4083 23.13144 21.25517       28.42208 
1 1 1 7   12  16 o 59.04405 22.84148 56.40363       91.70856 -103.6684      140.1340 176.3172       121.2886 52.31135 24.12084 84.85269 26.75841 -32.54134      36.02537 
1 1 1 7   12  17 o 614.8713 21.99943 9264.893       645.6595 9527.150       911.0524 9000.264       915.1625 616.1251 31.02889 597.7759 32.14040 18.34924       44.67435 
1 1 1 7   12  18 f 148.9462 17.79469 546.7007       124.2110 639.1606       204.9901 493.0576       156.1396 158.0457 28.16228 139.5610 24.28277 18.48476       37.18557 
1 1 1 7   12  19 o 59.60218 24.01795 43.54672       105.2282 84.01186       117.4099 -121.6644      237.2377 68.06792 25.96902 70.18291 31.99442 -2.114990      41.20720 
1 1 1 7   12  20 o 214.3638 14.27249 1118.036       145.4382 1208.574       193.7533 1001.176       220.1223 221.6431 18.45186 199.8018 23.49228 21.84134       29.87236 
1 1 1 7   12  21 o 53.46737 22.62342 10.17419       99.75050 81.15005       125.0757 -113.8601      165.3440 68.64071 26.64187 56.73798 26.17589 11.90273       37.34925 
1 1 1 7   12  22 o 186.5023 17.84547 858.7466       157.1800 961.3255       182.9908 570.1083       306.9568 196.7526 19.71910 142.8773 42.09416 53.87532       46.48399 
1 1 1 7   12  23 o 67.55154 25.43409 89.25236       111.7400 125.0219       140.1986 26.96172       185.0112 77.09406 28.59704 72.15869 30.68270 4.935371       41.94305 
1 1 1 7   12  24 o 207.2701 17.97722 1062.865       176.3827 1139.972       206.5688 855.3483       338.8793 213.6645 20.47212 173.8057 41.38020 39.85880       46.16740 
1 1 1 7   12  25 o 259.3706 15.65964 1650.118       193.2783 1878.797       257.7769 1356.480       292.1039 274.8044 19.75234 229.2494 27.17967 45.55504       33.59895 
1 1 1 7   12  26 o 145.6933 26.50507 556.8182       177.8201 198.3002       279.9060 799.4242       230.2542 98.85654 39.39764 174.0347 28.67098 -75.17815      48.72576 
1 1 1 7   12  27 o 232.6509 16.65770 1339.252       184.0537 1394.883       244.4217 1266.396       279.7163 234.5348 22.05732 220.2196 27.14127 14.31522       34.97390 
1 1 1 7   12  28 o 240.2586 16.87347 1431.053       192.5845 1648.863       260.6052 1168.993       285.8539 255.1714 21.56370 209.6590 29.31871 45.51242       36.39478 
1 1 1 7   12  29 o 212.3138 20.16560 1138.972       202.2361 1478.063       310.9826 890.4785       266.2170 236.4971 28.04999 180.3448 32.05054 56.15227       42.59153 
1 1 1 7   12  30 o 177.0089 22.11088 808.9713       183.0457 743.4655       208.4410 1029.735       382.6549 166.6221 27.09644 181.4522 44.46368 -14.83012      52.06953 
1 1 1 7   12  31 o 56.81956 26.24250 -91.81848      166.8506 39.44622       283.6459 -161.2708      206.3222 82.66264 36.52753 59.49589 28.03134 23.16675       46.04364 
1 1 1 7   12  32 o 143.1084 23.17001 545.5000       153.1103 385.8667       198.7439 778.5692       240.1456 113.8037 33.95805 164.8817 31.61449 -51.07798      46.39639 
1 1 1 7   12  33 o 108.1551 28.56111 335.7390       149.8442 475.5814       197.0724 144.0962       230.7027 126.3057 32.46107 83.89276 34.87603 42.41290       47.64513 
1 1 1 7   12  34 o 72.13727 30.66667 85.16560       184.7459 36.86227       315.6313 110.3388       227.8560 80.57435 36.79753 78.43291 33.71635 2.141441       49.90842 
1 1 1 7   12  35 f 65.17027 27.69763 67.81048       150.6367 194.2707       200.1927 -97.24255      228.7089 82.57349 33.17919 62.72886 29.54171 19.84463       44.42490 
1 1 1 7   12  36 o 54.91418 25.27301 -39.26212      152.8123 196.0049       196.8297 -396.2310      242.4517 80.94788 32.76655 51.48338 25.56933 29.46451       41.56245 
1 1 1 7   12  37 o 72.05807 31.23517 134.5640       198.7780 489.2404       344.5527 -42.37454      243.3608 97.86835 41.75165 63.66432 30.13016 34.20403       51.48812 
1 1 1 7   13  0  o 219.1283 7.944491 1151.585       83.09093 1207.523       115.8666 1092.361       119.2219 224.0843 10.84752 212.9904 11.75370 11.09389       15.99432 
1 1 1 7   13  1  o 661.4069 6.575627 10470.93       207.9286 10693.55       353.0237 10352.68       257.2935 667.6008 11.06060 657.4246 8.186051 10.17621       13.76039 
1 1 1 7   13  2  o 522.2349 7.457964 6530.261       186.2064 6323.058       263.6567 6736.458       263.0157 513.4262 10.74119 530.0045 10.37991 -16.57831      14.93706 
1 1 1 7   13  3  o 383.5176 14.62234 3543.276       267.6174 0.000000       0.000000 3543.276       267.6174 ?        ?        383.5176 14.62234 0.000000       14.62234 
1 1 1 7   13  4  o 467.6488 9.655539 5242.212       215.8762 0.000000       0.000000 5242.212       215.8762 ?        ?        467.6488 9.655539 0.000000       9.655539 
1 1 1 7   13  5  o 291.4474 8.970335 2037.267       124.8418 0.000000       0.000000 2037.267       124.8418 ?        ?        291.4474 8.970335 0.000000       8.970335 
1 1 1 7   13  6  o 304.0119 8.317662 2215.607       120.7791 0.000000       0.000000 2215.607       120.7791 ?        ?        304.0119 8.317662 0.000000       8.317662 
1 1 1 7   13  7  o 180.1012 10.81590 780.9659       92.70047 0.000000       0.000000 780.9659       92.70047 ?        ?        180.1012 10.81590 0.000000       10.81590 
1 1 1 7   13  8  o 331.0134 13.38589 2638.523       211.3997 0.000000       0.000000 2638.523       211.3997 ?        ?        331.0134 13.38589 0.000000       13.38589 
1 1 1 7   13  9  o 285.8401 10.25926 1962.501       139.9725 1907.300       241.7161 1990.350       171.6880 280.3587 18.13085 287.5287 12.51966 -7.170044      22.03338 
1 1 1 7   13  10 o 353.8577 11.37717 3009.987       192.2235 3035.840       329.7543 2996.681       236.5762 353.4536 19.59079 352.5555 14.06396 0.8980408      24.11626 
1 1 1 7   13  11 o 596.8340 12.03448 8561.404       343.3911 8064.633       805.0977 8671.873       379.6568 570.8119 29.60285 600.3337 13.22788 -29.52179      32.42384 
1 1 1 7   13  12 o 303.5302 12.09587 2218.681       175.1768 2390.645       272.9442 2098.233       228.4314 313.6378 18.28202 294.2715 16.30044 19.36621       24.49360 
1 1 1 7   13  13 o 539.4860 9.041738 6981.615       233.2064 7032.930       318.8199 6922.564       342.0068 540.6539 12.33439 536.0995 13.34384 4.554382       18.17128 
1 1 1 7   13  14 o 403.3821 12.18839 3919.741       234.7864 3700.257       413.9880 4023.809       285.0644 388.3838 22.39046 408.0181 14.63725 -19.63431      26.75036 
1 1 1 7   13  15 o 367.2905 12.77816 3254.675       224.0394 3464.198       376.0171 3139.354       278.9627 376.0491 20.99824 359.6915 16.26420 16.35757       26.56031 
1 1 1 7   13  16 o 287.8382 12.97340 2002.414       178.0710 2002.087       249.1738 2002.755       254.5738 286.2754 18.30165 286.1858 18.70876 0.8963013E-01  26.17190 
1 1 1 7   13  17 o 314.6507 13.34662 2395.613       200.3184 2662.707       299.0084 2178.118       269.8206 329.7349 19.04858 298.1297 19.02982 31.60516       26.92550 
1 1 1 7   13  18 o 344.3918 14.55758 2878.624       239.1497 2962.031       330.8508 2787.362       346.0806 347.0437 20.02571 335.8191 21.67147 11.22458       29.50731 
1 1 1 7   13  19 o 256.6227 13.85993 1599.626       169.4143 1477.737       237.2086 1726.531       242.0404 244.3203 20.49655 264.7251 19.25591 -20.40482      28.12292 
1 1 1 7   13  20 o 99.29014 26.83935 256.5456       130.4218 234.3440       210.2984 270.4217       166.2560 99.12109 35.27415 102.0728 31.19055 -2.951706      47.08626 
1 1 1 7   13  21 o 166.0413 16.08275 678.0394       126.0721 747.7595       162.5523 572.7933       199.7180 173.1758 20.00057 147.7949 29.30058 25.38091       35.47600 
1 1 1 7   13  22 o 112.9358 22.02419 326.6815       114.6430 396.8513       144.7291 208.4983       187.8273 123.6495 25.33488 93.58924 33.33308 30.06021       41.86826 
1 1 1 7   13  23 o 80.31398 27.45048 155.4512       126.6374 194.3562       138.2336 -47.68159      315.8643 87.80404 28.65451 85.10748 38.02026 2.696564       47.60904 
1 1 1 7   13  24 o 143.0788 24.43558 528.6755       161.1530 417.0979       245.0869 613.6588       213.8941 122.6987 37.93897 151.5221 30.58206 -28.82342      48.73015 
1 1 1 7   13  25 o 214.3126 21.51832 1159.588       217.4974 1172.707       270.3270 1135.507       366.2460 212.2411 27.27049 200.2096 39.66600 12.03157       48.13597 
1 1 1 7   13  26 o 47.85049 22.18931 -90.12586      121.0854 -147.5398      147.9378 26.40190       210.7586 49.96926 23.60164 75.02518 32.34084 -25.05591      40.03708 
1 1 1 7   13  27 o 101.0499 27.59831 274.2729       137.0660 181.4954       170.8712 441.7112       229.5489 87.07632 31.69210 124.7437 36.30560 -37.66734      48.19218 
1 1 1 7   13  28 o 213.6115 24.64527 1182.205       247.0811 1131.643       315.0664 1262.972       398.2072 202.4877 33.73191 207.1939 41.64577 -4.706207      53.59302 
1 1 1 7   13  29 o 154.6690 22.03508 619.1598       158.3368 586.0849       208.7172 664.0002       243.0212 145.2827 30.99482 152.7226 34.14250 -7.439865      46.11279 
1 1 1 7   13  30 o 99.88226 27.45153 275.9019       135.1232 370.0282       166.0225 91.21101       232.5596 114.4605 29.98592 81.27898 34.47411 33.18148       45.69048 
1 1 1 7   13  31 o 90.89233 28.25952 229.6810       135.7687 311.8172       168.7261 78.81186       228.6732 103.9133 31.35354 78.95509 33.85601 24.95824       46.14406 
1 1 1 7   13  32 o 63.98813 27.58007 29.36374       153.2425 -83.29349      167.5947 603.8963       378.4758 56.88754 26.28349 128.8592 47.12545 -71.97169      53.95952 
1 1 1 7   13  33 o 79.60613 30.26372 166.2421       159.1005 242.0483       175.5403 -182.5546      376.5396 90.55679 32.22741 76.30780 36.49590 14.24899       48.68836 
1 1 1 7   13  34 o 144.8762 31.32430 651.3069       210.6342 398.0902       305.7747 879.9673       290.5700 103.1600 41.15633 159.4729 38.54300 -56.31297      56.38622 
1 1 1 7   13  35 o 113.7215 28.49425 400.2672       154.5868 341.3917       198.1078 491.9276       247.1868 99.28407 34.31900 114.0960 38.35728 -14.81191      51.46917 
1 1 1 7   13  36 o 52.48489 24.35123 -44.56429      146.1221 -82.73962      185.6736 17.54852       236.8369 55.73520 26.35979 67.03455 31.06718 -11.29935      40.74320 
1 1 1 7   13  37 o 102.5584 35.16769 432.7473       207.8895 272.6028       338.6622 529.5817       263.3451 81.50986 37.55310 105.4529 39.17881 -23.94305      54.26983 
1 1 1 7   14  0  o 79.56628 11.62319 155.3009       42.90958 97.81004       64.89024 199.9743       57.20108 63.46064 19.50385 90.12909 13.70613 -26.66845      23.83817 
1 1 1 7   14  1  o 40.46191 12.12469 39.73484       25.29581 21.58004       36.43141 56.63530       35.15034 37.27309 14.40264 48.14944 14.25982 -10.87635      20.26767 
1 1 1 7   14  2  o 234.7308 8.881086 1322.950       99.48567 1296.761       168.2182 1337.036       123.3744 231.3865 15.29215 235.7053 10.97848 -4.318817      18.82490 
1 1 1 7   14  3  o 33.55538 13.31298 14.30027       31.82267 0.000000       0.000000 14.30027       31.82267 ?        ?        33.55538 13.31298 0.000000       13.31298 
1 1 1 7   14  4  f 159.1620 9.884066 610.1235       74.84020 0.000000       0.000000 610.1235       74.84020 ?        ?        159.1620 9.884066 0.000000       9.884066 
1 1 1 7   14  5  o 244.0287 9.193168 1430.124       107.0625 0.000000       0.000000 1430.124       107.0625 ?        ?        244.0287 9.193168 0.000000       9.193168 
1 1 1 7   14  6  o 51.09979 18.06719 55.18661       55.09202 0.000000       0.000000 55.18661       55.09202 ?        ?        51.09979 18.06719 0.000000       18.06719 
1 1 1 7   14  7  o 165.0131 10.36800 656.2266       81.38064 0.000000       0.000000 656.2266       81.38064 ?        ?        165.0131 10.36800 0.000000       10.36800 
1 1 1 7   14  8  o 154.3385 11.15567 575.2498       81.75935 0.000000       0.000000 575.2498       81.75935 ?        ?        154.3385 11.15567 0.000000       11.15567 
1 1 1 7   14  9  o 282.0604 8.716773 1909.726       117.4045 0.000000       0.000000 1909.726       117.4045 ?        ?        282.0604 8.716773 0.000000       8.716773 
1 1 1 7   14  10 f 321.6819 11.16468 2490.215       171.4440 2613.141       293.2448 2426.377       211.3227 327.5594 18.80446 316.9257 13.98140 10.63379       23.43261 
1 1 1 7   14  11 o 286.4544 10.41827 1973.954       142.4411 2209.195       242.9842 1850.788       175.8196 301.5490 16.92223 276.8010 13.32505 24.74799       21.53877 
1 1 1 7   14  12 o 95.63652 15.56102 226.7155       68.70544 181.6511       86.37774 304.3326       113.3611 84.61423 21.35491 109.6105 22.38988 -24.99625      30.94090 
1 1 1 7   14  13 o 351.5010 10.58423 2973.402       177.6640 3144.639       209.8485 2540.027       333.8405 361.1023 12.17274 321.2943 21.86365 39.80801       25.02389 
1 1 1 7   14  14 o 164.0995 14.15258 655.5840       109.9489 731.0225       128.8136 453.1142       211.0304 172.9926 15.74734 131.1652 33.52864 41.82741       37.04253 
1 1 1 7   14  15 o 145.0150 20.80989 525.3029       140.1467 828.9915       185.1366 117.7193       214.4798 182.5149 21.63754 86.59968 34.49563 95.91520       40.72017 
1 1 1 7   14  16 o 323.5335 13.61284 2536.304       210.0897 3039.627       326.7091 2181.430       274.3309 351.8127 19.50041 297.9305 19.36470 53.88217       27.48195 
1 1 1 7   14  17 o 139.4050 18.30014 482.6982       119.0243 491.3776       182.0763 476.2216       157.2837 137.3055 28.66402 136.3446 25.05179 0.9609528      38.06860 
1 1 1 7   14  18 o 174.7106 13.60301 743.6582       112.7273 912.6559       145.9290 493.5916       177.5125 193.0106 15.95682 137.7129 27.91844 55.29773       32.15680 
1 1 1 7   14  19 f 167.7717 13.84489 686.9797       110.0619 784.4850       141.4723 537.4830       175.1753 178.5388 16.77048 144.2819 26.36655 34.25691       31.24810 
1 1 1 7   14  20 o 266.6827 13.72032 1729.717       174.3433 1907.521       234.4612 1509.813       260.7452 278.5363 17.69835 245.5677 22.45774 32.96854       28.59338 
1 1 1 7   14  21 o 95.31670 28.23756 236.7470       137.8164 -85.23564      221.8843 438.9849       175.8497 69.11262 31.28323 128.6708 29.25084 -59.55819      42.82817 
1 1 1 7   14  22 o 299.8080 14.80037 2195.547       211.4850 2763.866       271.9948 1326.691       336.3087 335.3338 17.02150 223.7212 32.38368 111.6126       36.58462 
1 1 1 7   14  23 o 271.8794 15.02224 1810.616       194.5037 2223.967       265.0325 1328.126       286.3412 299.5318 18.59927 226.6413 26.95366 72.89047       32.74802 
1 1 1 7   14  24 o 259.7783 17.45014 1671.166       215.4684 1937.766       268.3894 1187.793       361.3902 278.1350 20.32401 205.8175 38.13088 72.31757       43.20914 
1 1 1 7   14  25 o 231.5403 16.07951 1323.915       176.8891 1604.864       230.6832 922.9651       275.5800 253.3640 19.18682 184.1932 32.48097 69.17081       37.72463 
1 1 1 7   14  26 f 353.5913 17.13292 3095.163       288.7664 3647.432       396.6932 2472.671       421.1588 379.8040 21.94013 306.1730 29.12232 73.63098       36.46202 
1 1 1 7   14  27 o 160.2244 20.11870 652.2042       150.7230 705.3701       188.4122 557.7104       251.1852 164.3632 24.74371 138.9524 37.11058 25.41072       44.60321 
1 1 1 7   14  28 o 187.9331 22.84326 915.3278       201.0335 1295.574       301.0612 609.3453       270.0663 218.7037 29.54845 142.8045 38.63029 75.89920       48.63548 
1 1 1 7   14  29 o 196.5880 21.08593 997.3644       195.0861 1145.335       223.5203 524.2341       399.6868 209.6306 22.66238 125.9147 47.94400 83.71590       53.03028 
1 1 1 7   14  30 o 115.9231 27.65785 376.0555       151.1370 441.1496       163.2846 -13.24066      399.3138 125.6430 27.90887 89.08312 40.94573 36.55985       49.55257 
1 1 1 7   14  31 f 81.82766 27.98949 180.5885       131.6649 72.72849       157.5633 430.2131       239.7003 69.26430 28.81076 116.7708 37.70467 -47.50655      47.45210 
1 1 1 7   14  32 o 134.0368 23.89905 494.5059       147.5312 592.3749       182.6133 310.5878       250.3352 144.0387 27.52134 99.41194 37.92149 44.62679       46.85577 
1 1 1 7   14  33 o 62.57122 26.38974 59.42942       135.0102 -0.2850767E-07 166.4481 173.7315       230.8369 61.21226 27.45356 82.55625 34.64394 -21.34399      44.20295 
1 1 1 7   14  34 o 76.49992 31.42916 152.9026       184.3736 184.5081       290.3657 131.5510       238.6600 84.06778 37.06112 77.74808 33.95620 6.319702       50.26480 
1 1 1 7   14  35 o 114.2392 30.96251 438.5595       173.2963 522.9577       191.4228 55.17216       407.9868 123.9412 32.06411 78.76012 37.75439 45.18106       49.53283 
1 1 1 7   14  36 o 52.04963 24.65288 -74.99147      163.5395 -36.79093      178.2343 -278.4207      411.3042 56.33138 26.38611 65.97664 32.85576 -9.645264      42.13939 
1 1 1 7   15  0  o 56.84493 12.61627 80.88223       33.39173 117.7136       44.04091 31.07927       51.21239 68.63735 13.89830 44.22439 17.07955 24.41296       22.01985 
1 1 1 7   15  1  o 279.5318 7.855026 1874.935       104.8712 1643.912       211.7994 1949.970       120.7066 259.8425 17.14509 284.9275 8.871925 -25.08499      19.30454 
1 1 1 7   15  2  o 244.0648 9.251744 1431.819       107.7581 0.000000       0.000000 1431.819       107.7581 ?        ?        244.0648 9.251744 0.000000       9.251744 
1 1 1 7   15  3  o 81.74980 16.44963 167.4385       62.06242 0.000000       0.000000 167.4385       62.06242 ?        ?        81.74980 16.44963 0.000000       16.44963 
1 1 1 7   15  4  o 213.2051 10.52795 1094.984       106.9805 0.000000       0.000000 1094.984       106.9805 ?        ?        213.2051 10.52795 0.000000       10.52795 
1 1 1 7   15  5  o 340.2104 10.28417 2783.361       167.0807 0.000000       0.000000 2783.361       167.0807 ?        ?        340.2104 10.28417 0.000000       10.28417 
1 1 1 7   15  6  o 64.54100 15.28333 104.7036       46.42567 0.000000       0.000000 104.7036       46.42567 ?        ?        64.54100 15.28333 0.000000       15.28333 
1 1 1 7   15  7  o 178.5520 10.93603 769.4509       92.90619 0.000000       0.000000 769.4509       92.90619 ?        ?        178.5520 10.93603 0.000000       10.93603 
1 1 1 7   15  8  o 537.7326 11.51931 6959.107       296.1427 0.000000       0.000000 6959.107       296.1427 ?        ?        537.7326 11.51931 0.000000       11.51931 
1 1 1 7   15  9  o 274.9164 9.367723 1817.156       122.9442 0.000000       0.000000 1817.156       122.9442 ?        ?        274.9164 9.367723 0.000000       9.367723 
1 1 1 7   15  10 o 461.9626 9.695118 5127.833       214.1255 0.000000       0.000000 5127.833       214.1255 ?        ?        461.9626 9.695118 0.000000       9.695118 
1 1 1 7   15  11 o 195.9458 9.502345 924.7031       88.75203 960.6353       148.7837 904.8545       110.5806 198.4418 15.81316 193.3926 12.01940 5.049194       19.86258 
1 1 1 7   15  12 o 64.66849 14.30727 105.0912       43.06114 32.59018       77.31854 137.6904       51.84601 51.43048 20.63554 74.07669 15.15090 -22.64621      25.60030 
1 1 1 7   15  13 o 189.1596 12.45092 867.3506       111.9739 842.8177       150.4700 897.7965       167.6254 185.2962 17.18103 190.8726 18.60497 -5.576355      25.32455 
1 1 1 7   15  14 o 142.5197 13.31204 495.3721       89.65500 524.3256       114.0557 448.5518       145.0385 145.8711 16.65255 132.7279 23.72763 13.14317       28.98806 
1 1 1 7   15  15 o 208.2111 12.51845 1051.214       124.0373 1246.110       163.5399 787.2607       190.3206 226.0200 15.22332 176.9289 23.04706 49.09109       27.62094 
1 1 1 7   15  16 o 347.6025 13.32770 2929.366       221.0758 3083.564       345.7494 2822.722       287.5350 353.2797 20.55962 339.3561 17.78464 13.92358       27.18439 
1 1 1 7   15  17 o 429.6618 11.72600 4461.562       240.6461 4833.128       283.5497 3504.792       455.0031 446.5176 13.29739 373.0739 25.66644 73.44370       28.90652 
1 1 1 7   15  18 o 187.6758 14.27918 860.1166       127.1592 990.0406       171.9811 703.4343       188.8626 200.1766 18.16814 166.1519 24.51086 34.02466       30.51006 
1 1 1 7   15  19 o 156.5865 16.21535 604.8579       119.6370 626.7387       135.2612 526.2203       256.4230 158.8198 18.13883 137.9297 37.77965 20.89015       41.90846 
1 1 1 7   15  20 o 256.6420 13.46066 1603.493       164.5816 1602.503       218.9822 1604.778       249.4995 254.7184 18.10000 253.6300 20.75741 1.088470       27.54052 
1 1 1 7   15  21 o 200.0002 13.99076 978.2121       132.9328 1126.627       171.1563 752.5742       211.0376 213.6388 16.89475 170.1334 26.83376 43.50540       31.70936 
1 1 1 7   15  22 o 52.42153 21.99417 17.27044       93.01282 -64.57993      102.4079 402.9578       222.3007 45.36359 20.80821 120.5020 35.90394 -75.13837      41.49789 
1 1 1 7   15  23 o 69.90900 25.87165 104.6303       114.6285 -128.3732      141.1212 556.4929       196.5234 49.76402 23.36368 143.9012 29.55537 -94.13720      37.67468 
1 1 1 7   15  24 o 208.7149 16.17267 1077.477       160.1195 1315.106       206.7533 721.3778       253.0979 229.2755 19.03341 161.4534 33.87191 67.82207       38.85327 
1 1 1 7   15  25 o 68.17788 26.37990 87.90482       122.3399 41.15693       149.2216 183.7505       213.6669 66.52976 27.88214 90.85397 34.93936 -24.32421      44.70092 
1 1 1 7   15  26 o 127.6223 23.63413 427.2076       138.8938 332.4760       171.8486 605.6677       235.8680 109.5600 31.26929 146.3280 34.31411 -36.76803      46.42442 
1 1 1 7   15  27 o 61.86250 29.07383 -164.4561      219.5156 -81.48170      263.5973 -352.2011      396.5092 73.20655 33.50647 76.97668 36.98312 -3.770134      49.90425 
1 1 1 7   15  28 o 86.43384 28.40527 201.3219       135.7343 310.9257       168.6833 -0.1788116E-05 228.6151 104.4645 31.31145 73.33242 32.57842 31.13204       45.18584 
1 1 1 7   15  29 o 220.0103 17.11562 1223.041       178.6143 1298.664       231.4562 1111.700       280.8448 222.9390 22.00225 198.7179 30.53674 24.22113       37.63763 
1 1 1 7   15  30 o 119.4082 37.60236 451.9712       239.5932 525.6506       297.7237 316.5580       403.6182 124.8468 42.09663 105.9554 45.19486 18.89141       61.76327 
1 1 1 7   15  31 o 218.6806 20.43470 1261.797       211.1683 1363.547       242.5914 943.5872       429.0097 224.7608 22.89529 149.5219 50.53279 75.23888       55.47754 
1 1 1 7   15  32 o 71.13902 28.77211 116.1438       151.6228 302.9708       189.9758 -211.6895      251.6547 96.54619 33.59454 60.46957 29.15642 36.07662       44.48247 
1 1 1 7   15  33 o 61.54609 26.94718 36.87130       151.1272 114.2865       191.2742 -91.75294      246.5498 73.07607 31.13949 64.39940 30.43282 8.676666       43.54106 
1 1 1 7   15  34 o 77.06414 32.02311 175.4178       194.3805 103.0594       310.0342 222.2827       249.5104 76.91174 35.61009 82.56113 35.38285 -5.649391      50.19985 
1 1 1 7   15  35 o 50.54836 23.49699 -39.49089      137.0390 -153.7959      166.5683 199.9440       241.0757 48.21674 23.36271 77.20596 33.91217 -28.98923      41.18072 
1 1 1 7   16  0  o 172.3420 8.346365 714.5771       68.56519 735.9287       112.7010 702.0304       86.39277 173.9857 13.65839 170.4745 10.65334 3.511185       17.32181 
1 1 1 7   16  1  o 114.4168 8.747663 316.1564       47.48809 334.1497       76.93922 305.0835       60.35645 116.7398 14.06873 111.9731 11.43497 4.766693       18.12974 
1 1 1 7   16  2  o 157.6204 10.94850 600.8797       81.99130 0.000000       0.000000 600.8797       81.99130 ?        ?        157.6204 10.94850 0.000000       10.94850 
1 1 1 7   16  3  f 256.8448 9.301100 1587.011       114.0238 0.000000       0.000000 1587.011       114.0238 ?        ?        256.8448 9.301100 0.000000       9.301100 
1 1 1 7   16  4  o 112.9093 12.16511 310.8593       64.63294 0.000000       0.000000 310.8593       64.63294 ?        ?        112.9093 12.16511 0.000000       12.16511 
1 1 1 7   16  5  o 282.7149 13.14049 1934.250       177.1247 0.000000       0.000000 1934.250       177.1247 ?        ?        282.7149 13.14049 0.000000       13.14049 
1 1 1 7   16  6  o 49.18582 15.71186 57.52326       41.70210 0.000000       0.000000 57.52326       41.70210 ?        ?        49.18582 15.71186 0.000000       15.71186 
1 1 1 7   16  7  o 350.7519 8.526795 2953.955       142.9862 0.000000       0.000000 2953.955       142.9862 ?        ?        350.7519 8.526795 0.000000       8.526795 
1 1 1 7   16  8  o 150.3646 10.46473 546.7283       74.75894 0.000000       0.000000 546.7283       74.75894 ?        ?        150.3646 10.46473 0.000000       10.46473 
1 1 1 7   16  9  o 302.9914 12.50990 2220.074       180.8245 0.000000       0.000000 2220.074       180.8245 ?        ?        302.9914 12.50990 0.000000       12.50990 
1 1 1 7   16  10 o 203.7661 11.54101 1004.286       111.9708 0.000000       0.000000 1004.286       111.9708 ?        ?        203.7661 11.54101 0.000000       11.54101 
1 1 1 7   16  11 f 321.3094 9.607780 2485.327       147.4235 0.000000       0.000000 2485.327       147.4235 ?        ?        321.3094 9.607780 0.000000       9.607780 
1 1 1 7   16  12 o 157.5629 9.838891 599.6821       73.74551 645.4689       116.7919 569.3227       95.10201 162.3560 15.22412 152.8777 13.13912 9.478333       20.10995 
1 1 1 7   16  13 o 173.9213 9.465396 729.7753       78.40794 701.8389       133.1617 744.6013       97.00759 168.9117 16.70831 175.2761 11.64242 -6.364456      20.36451 
1 1 1 7   16  14 o 119.9892 10.26520 349.2753       58.32167 327.5049       102.8920 359.5811       70.79258 113.9871 19.58631 121.3649 12.37364 -7.377792      23.16745 
1 1 1 7   16  15 o 34.52936 16.02004 -53.10310      63.23497 -117.3168      73.60974 127.7542       123.5348 32.24989 15.60334 75.61728 27.02173 -43.36739      31.20317 
1 1 1 7   16  16 f 61.49863 20.83026 87.96755       72.89876 85.86060       85.32607 93.66191       140.2736 62.82940 22.45678 72.60748 28.20505 -9.778084      36.05318 
1 1 1 7   16  17 f 225.3622 14.73521 1240.987       157.8910 1285.663       196.5497 1159.703       265.1147 228.1322 18.17100 212.6994 26.65480 15.43280       32.25932 
1 1 1 7   16  18 o 173.3904 16.92554 743.1105       138.5216 699.6534       208.7398 777.3076       185.1695 163.8842 27.62272 175.1872 22.63713 -11.30305      35.71350 
1 1 1 7   16  19 o 343.4538 15.16550 2885.663       248.4056 3172.419       345.1926 2577.680       357.7403 356.9620 20.31080 319.4321 23.59155 37.52991       31.13021 
1 1 1 7   16  20 o 138.5106 18.14413 480.8039       117.2649 525.8793       153.8909 418.3920       181.0827 142.9509 23.32063 124.3213 30.66120 18.62962       38.52221 
1 1 1 7   16  21 o 117.7930 18.45731 350.7863       100.5317 357.9967       122.2024 335.6885       176.8287 117.5683 22.56136 111.0066 31.73112 6.561729       38.93429 
1 1 1 7   16  22 o 55.01022 22.13668 40.83499       89.25456 194.2340       103.6930 -397.8200      175.3476 86.09707 24.19406 43.76389 21.73703 42.33318       32.52462 
1 1 1 7   16  23 o 74.39314 24.25400 138.5944       99.04843 189.2149       113.3865 -24.44927      203.4935 85.11328 25.70722 69.59357 30.83660 15.51971       40.14669 
1 1 1 7   16  24 o 207.8959 15.40238 1067.812       152.0010 1179.455       187.3815 852.9926       259.9241 217.1788 18.21448 176.5560 31.96999 40.62279       36.79466 
1 1 1 7   16  25 o 172.3730 18.70793 751.0375       151.7020 803.0010       189.7930 659.1039       252.4459 175.8864 23.13047 151.3001 35.51269 24.58630       42.38124 
1 1 1 7   16  26 o 110.0225 26.13093 330.3189       135.3959 277.0410       165.0418 439.9762       236.7769 99.47973 31.19221 121.2210 37.25646 -21.74129      48.59010 
1 1 1 7   16  27 o 113.0654 36.47427 383.8206       224.3451 199.8179       270.9131 785.3689       400.2090 93.61337 38.23719 148.7958 48.76827 -55.18246      61.97118 
1 1 1 7   16  28 o 71.00345 27.56383 107.9251       133.9002 42.35580       165.1875 233.5559       228.6520 67.42677 28.84083 93.70498 36.11559 -26.27821      46.21828 
1 1 1 7   16  29 o 89.91220 28.88618 229.7293       140.8071 367.5975       173.5658 -35.69506      240.8255 111.2819 31.31230 70.79203 32.25796 40.48982       44.95593 
1 1 1 7   16  30 o 57.87847 26.94589 -86.42371      181.3122 -165.8772      285.6524 -32.81542      234.6374 67.56866 32.16920 68.66108 31.49550 -1.092422      45.02026 
1 1 1 7   16  31 o 70.30653 29.28511 101.8404       163.1223 49.10052       177.3848 390.8034       415.2102 66.61846 29.18056 100.8454 44.39310 -34.22695      53.12488 
1 1 1 7   16  32 o 35.76633 18.00991 -379.5114      140.8379 -580.5441      170.5206 51.95026       249.8127 35.87229 18.25186 72.72618 33.02787 -36.85389      37.73553 
1 1 1 7   16  33 o 81.99753 29.98545 220.7499       153.2276 252.2934       189.1233 160.4844       261.4117 85.19795 32.84344 77.86237 34.69879 7.335587       47.77758 
1 1 1 7   16  34 o 96.80843 30.82622 338.5267       160.6267 220.3819       201.6056 543.8809       265.7950 78.60038 32.63298 107.3569 39.45431 -28.75653      51.20111 
1 1 1 7   17  0  o 336.4197 8.306344 2717.711       133.5979 2691.888       300.7414 2724.060       149.1192 331.1337 19.07760 336.4992 9.278031 -5.365570      21.21407 
1 1 1 7   17  1  o 367.6549 11.03554 3259.682       193.7538 0.000000       0.000000 3259.682       193.7538 ?        ?        367.6549 11.03554 0.000000       11.03554 
1 1 1 7   17  2  o 315.4171 13.26926 2409.525       199.6500 0.000000       0.000000 2409.525       199.6500 ?        ?        315.4171 13.26926 0.000000       13.26926 
1 1 1 7   17  3  o 495.3619 9.992658 5903.888       236.6530 0.000000       0.000000 5903.888       236.6530 ?        ?        495.3619 9.992658 0.000000       9.992658 
1 1 1 7   17  4  o 123.9035 12.28001 374.1139       71.78693 0.000000       0.000000 374.1139       71.78693 ?        ?        123.9035 12.28001 0.000000       12.28001 
1 1 1 7   17  5  o 290.9933 12.86726 2050.116       178.5674 0.000000       0.000000 2050.116       178.5674 ?        ?        290.9933 12.86726 0.000000       12.86726 
1 1 1 7   17  6  o 59.03194 18.19593 85.22847       56.42869 0.000000       0.000000 85.22847       56.42869 ?        ?        59.03194 18.19593 0.000000       18.19593 
1 1 1 7   17  7  o 248.4104 9.529959 1486.305       112.9700 0.000000       0.000000 1486.305       112.9700 ?        ?        248.4104 9.529959 0.000000       9.529959 
1 1 1 7   17  8  f 153.3189 12.01125 570.8709       87.34016 0.000000       0.000000 570.8709       87.34016 ?        ?        153.3189 12.01125 0.000000       12.01125 
1 1 1 7   17  9  o 275.8561 9.361070 1832.364       123.2783 0.000000       0.000000 1832.364       123.2783 ?        ?        275.8561 9.361070 0.000000       9.361070 
1 1 1 7   17  10 o 216.8739 9.809557 1134.429       101.4470 0.000000       0.000000 1134.429       101.4470 ?        ?        216.8739 9.809557 0.000000       9.809557 
1 1 1 7   17  11 o 375.2286 13.26189 3413.965       237.5342 0.000000       0.000000 3413.965       237.5342 ?        ?        375.2286 13.26189 0.000000       13.26189 
1 1 1 7   17  12 o 115.8302 13.90017 329.9195       75.43925 0.000000       0.000000 329.9195       75.43925 ?        ?        115.8302 13.90017 0.000000       13.90017 
1 1 1 7   17  13 o 145.5133 9.683078 512.1234       66.98022 511.6494       115.0520 512.3664       82.37996 143.7095 17.07925 145.1019 11.98188 -1.392380      20.86304 
1 1 1 7   17  14 o 385.2934 7.653791 3565.680       140.9862 4097.270       233.3436 3260.044       176.9332 411.4707 11.87416 367.6328 10.07619 43.83795       15.57323 
1 1 1 7   17  15 o 34.97403 15.65254 -22.04152      53.79612 -210.7409      79.16669 139.8455       73.32689 28.34087 14.16039 73.97289 20.17892 -45.63202      24.65168 
1 1 1 7   17  16 o 123.9231 15.39656 380.3258       89.25753 357.6904       107.6770 430.0397       159.5763 118.8585 19.63384 127.8965 26.94930 -9.038002      33.34295 
1 1 1 7   17  17 o 381.8970 11.37560 3532.541       207.4649 3705.863       242.2191 3055.200       401.9720 390.3867 12.99603 347.0536 24.38165 43.33319       27.62900 
1 1 1 7   17  18 o 152.0306 14.83574 569.6471       106.4618 680.5960       130.6580 350.4705       183.6419 165.6608 16.72593 113.4642 32.30508 52.19656       36.37822 
1 1 1 7   17  19 f 216.0439 14.34527 1144.382       147.3303 1344.435       196.6536 888.4409       222.4329 232.7158 17.81068 185.0386 25.84797 47.67715       31.39009 
1 1 1 7   17  20 o 265.9803 15.21289 1738.340       192.6436 1773.338       245.8365 1682.654       310.0980 266.3974 19.43599 255.3631 25.75129 11.03427       32.26278 
1 1 1 7   17  21 o 213.8288 14.86423 1124.734       151.0098 1323.743       202.3568 874.6175       226.8573 230.3132 18.53405 182.6967 26.76622 47.61652       32.55674 
1 1 1 7   17  22 o 94.45184 27.67828 238.6293       133.0151 303.6750       148.1795 -31.26265      301.8378 105.8103 28.61096 82.49166 36.98566 23.31866       46.76030 
1 1 1 7   17  23 o 144.0005 17.49748 522.1465       117.9921 476.4841       138.7073 641.6970       224.4374 135.4460 22.18782 151.8972 31.92140 -16.45126      38.87512 
1 1 1 7   17  24 o 168.7664 16.51910 714.2164       131.5797 659.4733       156.8979 843.9831       241.5649 159.8418 21.04195 175.0903 29.93247 -15.24852      36.58847 
1 1 1 7   17  25 o 157.0753 19.47162 633.2158       143.0950 633.2698       181.8065 633.1279       231.9732 153.3928 25.69934 147.7516 33.60132 5.641190       42.30254 
1 1 1 7   17  26 o 130.0400 23.67403 453.4081       141.7623 356.5763       172.6105 654.0698       248.4795 111.0090 31.22266 147.6103 35.62112 -36.60130      47.36790 
1 1 1 7   17  27 o 103.7577 36.46901 324.1113       224.2184 187.9508       270.0999 625.9326       402.1365 91.05058 37.78428 130.1794 48.40513 -39.12878      61.40609 
1 1 1 7   17  28 o 66.48198 27.10411 80.18259       135.8108 43.09180       161.7207 168.9261       250.1502 65.87155 28.36173 86.19001 36.10952 -20.31846      45.91607 
1 1 1 7   17  29 o 51.12099 23.54073 -56.59826      132.8485 -140.6803      160.1454 128.9442       237.8947 50.53943 24.06872 79.88440 34.39696 -29.34497      41.98159 
1 1 1 7   17  30 o 180.4635 24.77386 926.4362       208.1075 1410.255       306.7352 513.7833       283.2791 214.3253 30.82034 114.6912 40.92639 99.63404       51.23341 
1 1 1 7   17  31 o 85.50957 31.29058 235.3350       166.8986 235.1695       181.5231 236.2395       424.4151 85.28426 32.34850 89.15101 41.41036 -3.866745      52.54753 
1 1 1 7   17  32 o 84.27911 30.21287 241.1321       154.5645 198.4133       187.0408 333.1233       274.4733 78.27101 31.84629 89.91298 37.75683 -11.64197      49.39397 
1 1 1 7   17  33 o 71.39197 29.03634 159.4890       155.4199 150.5011       187.9518 178.9245       276.3860 71.34823 30.64569 75.81608 34.55127 -4.467850      46.18386 
1 1 1 7   18  0  o 266.2206 7.248346 1702.146       92.16895 1533.877       138.5282 1835.805       123.4621 251.7947 11.53822 276.0559 9.368237 -24.26118      14.86252 
1 1 1 7   18  1  o 38.08045 15.03935 19.96484       40.43933 0.000000       0.000000 19.96484       40.43933 ?        ?        38.08045 15.03935 0.000000       15.03935 
1 1 1 7   18  2  o 166.2747 10.37179 668.7283       82.03896 0.000000       0.000000 668.7283       82.03896 ?        ?        166.2747 10.37179 0.000000       10.37179 
1 1 1 7   18  3  o 256.0838 9.278008 1579.727       113.4036 0.000000       0.000000 1579.727       113.4036 ?        ?        256.0838 9.278008 0.000000       9.278008 
1 1 1 7   18  4  o 210.2958 11.08935 1069.763       111.0983 0.000000       0.000000 1069.763       111.0983 ?        ?        210.2958 11.08935 0.000000       11.08935 
1 1 1 7   18  5  o 263.2261 10.98292 1674.173       137.9114 0.000000       0.000000 1674.173       137.9114 ?        ?        263.2261 10.98292 0.000000       10.98292 
1 1 1 7   18  6  o 254.2417 9.607282 1558.204       116.5665 0.000000       0.000000 1558.204       116.5665 ?        ?        254.2417 9.607282 0.000000       9.607282 
1 1 1 7   18  7  o 145.6212 11.23842 514.8154       77.63673 0.000000       0.000000 514.8154       77.63673 ?        ?        145.6212 11.23842 0.000000       11.23842 
1 1 1 7   18  8  o 246.2874 12.47430 1471.456       146.4031 0.000000       0.000000 1471.456       146.4031 ?        ?        246.2874 12.47430 0.000000       12.47430 
1 1 1 7   18  9  o 202.9816 11.26504 997.9990       108.8908 0.000000       0.000000 997.9990       108.8908 ?        ?        202.9816 11.26504 0.000000       11.26504 
1 1 1 7   18  10 o 232.2708 11.48372 1306.857       127.1267 0.000000       0.000000 1306.857       127.1267 ?        ?        232.2708 11.48372 0.000000       11.48372 
1 1 1 7   18  11 o 184.8863 11.60885 829.7015       102.0951 0.000000       0.000000 829.7015       102.0951 ?        ?        184.8863 11.60885 0.000000       11.60885 
1 1 1 7   18  12 o 183.4180 11.95070 817.6947       104.2251 0.000000       0.000000 817.6947       104.2251 ?        ?        183.4180 11.95070 0.000000       11.95070 
1 1 1 7   18  13 f 176.9361 11.41597 760.3635       96.05363 0.000000       0.000000 760.3635       96.05363 ?        ?        176.9361 11.41597 0.000000       11.41597 
1 1 1 7   18  14 o 88.20384 15.09597 194.9787       61.37125 278.8384       93.37519 131.2024       81.43000 104.6425 19.37792 72.02437 21.79223 32.61811       29.16171 
1 1 1 7   18  15 o 404.4716 12.68658 3976.451       245.0211 4238.000       421.9005 3843.342       300.9800 411.2755 21.53199 395.7496 15.94037 15.52588       26.79033 
1 1 1 7   18  16 o 224.1703 9.431452 1214.178       100.8541 1250.957       180.7846 1197.560       121.5213 224.9294 16.93591 222.0587 11.48563 2.870789       20.46325 
1 1 1 7   18  17 o 115.9679 21.71297 346.5574       115.9599 283.7240       158.1278 419.6602       170.5612 102.8097 30.19199 124.9232 29.10104 -22.11346      41.93360 
1 1 1 7   18  18 o 56.42442 21.56823 58.57400       81.08921 10.75897       93.05481 209.4595       165.3029 51.44829 21.81364 91.03876 31.35428 -39.59048      38.19589 
1 1 1 7   18  19 o 344.6003 14.89474 2914.222       244.8106 2838.060       331.6933 3005.352       362.8266 336.0019 20.74963 344.6380 22.13760 -8.636047      30.34173 
1 1 1 7   18  20 o 150.8180 15.61866 565.1876       110.9893 565.7833       135.3440 563.9642       193.9400 149.4012 19.40675 144.3733 29.10399 5.027817       34.98092 
1 1 1 7   18  21 o 171.2875 16.83967 734.4131       136.1201 875.6259       177.3714 532.0857       212.3118 185.3335 20.35251 137.1949 32.81183 48.13858       38.61141 
1 1 1 7   18  22 o 193.9373 14.92940 933.5327       137.3596 887.7213       171.3798 1015.826       229.6963 186.7092 19.48579 196.1158 25.07068 -9.406586      31.75272 
1 1 1 7   18  23 o 75.69035 24.87713 148.6268       104.1088 207.1085       124.3376 11.46285       190.4201 87.35538 27.02461 68.96264 30.21984 18.39274       40.54095 
1 1 1 7   18  24 o 162.9648 19.19459 682.0285       146.6830 804.2121       161.5976 110.2683       349.5710 176.9660 19.41875 92.29807 40.67788 84.66791       45.07525 
1 1 1 7   18  25 o 59.92425 25.11003 39.81806       120.9968 216.5497       148.0504 -315.6561      209.9697 88.41471 29.68487 52.19029 25.49824 36.22442       39.13249 
1 1 1 7   18  26 o 216.8002 17.07352 1198.444       175.5393 1461.240       226.6288 804.3236       277.5363 236.6092 20.22819 159.7357 37.06027 76.87352       42.22136 
1 1 1 7   18  27 o 126.9546 36.49864 534.3652       233.3117 731.1159       279.0484 77.33004       425.3008 146.3642 39.12583 89.03960 41.39095 57.32465       56.95649 
1 1 1 7   18  28 o 76.59865 28.44272 163.4307       138.7560 130.3641       164.7830 244.0157       257.2437 73.78568 29.93937 89.50198 36.98310 -15.71631      47.58273 
1 1 1 7   18  29 o 83.76264 29.46428 215.4534       146.3778 200.7860       174.5243 250.2475       268.8021 81.80363 31.54627 88.59501 37.29369 -6.791374      48.84657 
1 1 1 7   18  30 o 71.31178 31.41893 99.33515       208.3933 252.8878       285.6658 -75.33578      304.6772 85.87568 37.33292 68.74776 32.86629 17.12791       49.73871 
1 1 1 7   18  31 o 79.14019 30.63250 213.0426       165.0071 220.0797       177.4409 168.0437       448.7014 79.80105 31.50725 80.49973 38.84367 -0.6986771     50.01537 
1 1 1 7   19  0  o 196.6527 11.76204 938.3571       110.0783 0.000000       0.000000 938.3571       110.0783 ?        ?        196.6527 11.76204 0.000000       11.76204 
1 1 1 7   19  1  o 389.1263 9.932017 3652.028       184.6211 0.000000       0.000000 3652.028       184.6211 ?        ?        389.1263 9.932017 0.000000       9.932017 
1 1 1 7   19  2  o 231.4782 11.42953 1298.093       126.0961 0.000000       0.000000 1298.093       126.0961 ?        ?        231.4782 11.42953 0.000000       11.42953 
1 1 1 7   19  3  o 167.4200 10.85807 679.5281       86.44087 0.000000       0.000000 679.5281       86.44087 ?        ?        167.4200 10.85807 0.000000       10.85807 
1 1 1 7   19  4  o 289.8042 11.32211 2032.815       156.5683 0.000000       0.000000 2032.815       156.5683 ?        ?        289.8042 11.32211 0.000000       11.32211 
1 1 1 7   19  5  o 228.2852 11.92205 1264.464       129.6670 0.000000       0.000000 1264.464       129.6670 ?        ?        228.2852 11.92205 0.000000       11.92205 
1 1 1 7   19  6  o 74.54392 19.72991 142.2578       71.40221 0.000000       0.000000 142.2578       71.40221 ?        ?        74.54392 19.72991 0.000000       19.72991 
1 1 1 7   19  7  o 101.2583 13.11566 252.7945       62.00332 0.000000       0.000000 252.7945       62.00332 ?        ?        101.2583 13.11566 0.000000       13.11566 
1 1 1 7   19  8  o 366.3305 9.707191 3237.565       169.8604 0.000000       0.000000 3237.565       169.8604 ?        ?        366.3305 9.707191 0.000000       9.707191 
1 1 1 7   19  9  o 95.25768 13.14534 224.3009       58.27179 0.000000       0.000000 224.3009       58.27179 ?        ?        95.25768 13.14534 0.000000       13.14534 
1 1 1 7   19  10 o 134.5809 12.27848 442.5621       78.13249 0.000000       0.000000 442.5621       78.13249 ?        ?        134.5809 12.27848 0.000000       12.27848 
1 1 1 7   19  11 o 248.5105 13.59865 1506.595       160.9498 0.000000       0.000000 1506.595       160.9498 ?        ?        248.5105 13.59865 0.000000       13.59865 
1 1 1 7   19  12 o 123.2774 13.11814 373.2845       76.12912 0.000000       0.000000 373.2845       76.12912 ?        ?        123.2774 13.11814 0.000000       13.11814 
1 1 1 7   19  13 o 236.2666 10.94301 1352.959       123.2725 0.000000       0.000000 1352.959       123.2725 ?        ?        236.2666 10.94301 0.000000       10.94301 
1 1 1 7   19  14 o 319.5410 14.19444 2495.629       216.3056 0.000000       0.000000 2495.629       216.3056 ?        ?        319.5410 14.19444 0.000000       14.19444 
1 1 1 7   19  15 o 162.9600 12.38296 648.6463       95.75258 0.000000       0.000000 648.6463       95.75258 ?        ?        162.9600 12.38296 0.000000       12.38296 
1 1 1 7   19  16 o 83.26639 18.56244 178.3993       72.00797 312.8187       152.0057 139.5064       81.76440 107.5294 28.93591 73.69020 21.72919 33.83918       36.18625 
1 1 1 7   19  17 o 226.3437 9.282551 1239.403       100.2355 1204.329       186.4278 1253.665       118.8809 219.6011 17.91239 227.1077 10.98148 -7.506638      21.01063 
1 1 1 7   19  18 f 160.8090 10.34520 629.4213       79.11297 735.6348       137.4702 576.8249       96.73788 171.4219 16.99750 152.9950 13.35933 18.42694       21.61913 
1 1 1 7   19  19 o 71.35972 22.92496 129.9586       88.68784 139.6808       102.4808 100.9573       176.9982 74.21722 24.69333 76.51083 31.03505 -2.293602      39.66024 
1 1 1 7   19  20 o 56.98597 23.66239 34.58116       106.0202 74.86256       131.5770 -39.98395      179.0175 66.89194 26.89156 63.11836 28.37659 3.773586       39.09459 
1 1 1 7   19  21 o 70.29919 25.42233 117.5021       109.7158 75.59318       134.6243 200.3918       189.3307 67.18398 27.13327 88.73737 33.17052 -21.55338      42.85438 
1 1 1 7   19  22 o 41.78817 19.80445 -109.8204      105.8419 -225.6952      129.3651 124.7945       184.0775 40.51738 19.84157 78.89053 31.77503 -38.37314      37.46119 
1 1 1 7   19  23 o 76.20438 26.01181 152.0636       113.7039 145.3671       121.0980 201.9308       330.4597 75.47453 26.77676 95.94767 40.90924 -20.47314      48.89336 
1 1 1 7   19  24 o 86.83683 27.32602 213.2725       126.5526 213.2725       126.5526 0.000000       0.000000 86.83683 27.32602 ?        ?        0.000000       27.32602 
1 1 1 7   19  25 o 157.3251 18.60313 648.1853       137.2203 834.3452       166.0960 247.9688       243.5362 177.6228 19.90101 91.79106 36.69321 85.83170       41.74257 
1 1 1 7   19  26 o 134.5538 22.96329 503.3990       142.4225 550.1632       152.9928 199.6244       389.9330 140.1829 23.66994 90.99116 41.29943 49.19172       47.60157 
1 1 1 7   19  27 o 76.01852 30.99258 147.9367       177.5775 60.14827       244.7668 245.4910       258.0222 73.55360 33.11484 88.54494 36.85267 -14.99134      49.54505 
1 1 1 7   19  28 o 159.4061 27.97745 775.9163       205.4435 766.3820       289.2945 785.6167       291.8037 138.8501 40.85389 140.6823 40.93067 -1.832214      57.83044 
1 1 1 7   19  29 o 151.1667 23.81854 674.4077       166.4482 820.9494       201.3263 357.8999       295.8775 163.1496 26.73635 91.09279 38.77010 72.05682       47.09515 
1 1 1 7   19  30 o 111.1573 31.74213 447.8869       177.0387 402.9701       190.6558 729.0601       477.0157 101.6850 33.67603 98.97203 45.21387 2.712990       56.37703 
1 1 1 7   20  0  o 193.3409 11.77028 908.8945       108.2820 0.000000       0.000000 908.8945       108.2820 ?        ?        193.3409 11.77028 0.000000       11.77028 
1 1 1 7   20  1  f 107.3789 13.13979 284.1313       66.05141 0.000000       0.000000 284.1313       66.05141 ?        ?        107.3789 13.13979 0.000000       13.13979 
1 1 1 7   20  2  o 278.2096 12.41722 1880.872       164.7438 0.000000       0.000000 1880.872       164.7438 ?        ?        278.2096 12.41722 0.000000       12.41722 
1 1 1 7   20  3  o 285.6106 12.02628 1979.967       163.8479 0.000000       0.000000 1979.967       163.8479 ?        ?        285.6106 12.02628 0.000000       12.02628 
1 1 1 7   20  4  o 213.3665 11.32825 1104.446       115.1432 0.000000       0.000000 1104.446       115.1432 ?        ?        213.3665 11.32825 0.000000       11.32825 
1 1 1 7   20  5  o 192.4637 12.59593 902.5065       115.2641 0.000000       0.000000 902.5065       115.2641 ?        ?        192.4637 12.59593 0.000000       12.59593 
1 1 1 7   20  6  f 298.0352 12.86835 2160.994       182.9254 0.000000       0.000000 2160.994       182.9254 ?        ?        298.0352 12.86835 0.000000       12.86835 
1 1 1 7   20  7  o 285.9411 9.575852 1974.174       130.7222 0.000000       0.000000 1974.174       130.7222 ?        ?        285.9411 9.575852 0.000000       9.575852 
1 1 1 7   20  8  o 29.75112 13.45614 -21.65780      40.95838 0.000000       0.000000 -21.65780      40.95838 ?        ?        29.75112 13.45614 0.000000       13.45614 
1 1 1 7   20  9  o 383.6663 9.128484 3548.847       167.4406 0.000000       0.000000 3548.847       167.4406 ?        ?        383.6663 9.128484 0.000000       9.128484 
1 1 1 7   20  10 o 132.7775 12.25965 431.5893       76.94517 0.000000       0.000000 431.5893       76.94517 ?        ?        132.7775 12.25965 0.000000       12.25965 
1 1 1 7   20  11 o 139.3515 13.99167 478.6374       91.95580 0.000000       0.000000 478.6374       91.95580 ?        ?        139.3515 13.99167 0.000000       13.99167 
1 1 1 7   20  12 o 79.94231 19.84446 165.7566       75.49023 0.000000       0.000000 165.7566       75.49023 ?        ?        79.94231 19.84446 0.000000       19.84446 
1 1 1 7   20  13 o 115.8353 14.09359 333.0522       76.44527 0.000000       0.000000 333.0522       76.44527 ?        ?        115.8353 14.09359 0.000000       14.09359 
1 1 1 7   20  14 o 171.2503 12.03303 717.5093       97.89068 0.000000       0.000000 717.5093       97.89068 ?        ?        171.2503 12.03303 0.000000       12.03303 
1 1 1 7   20  15 o 149.4389 14.31741 553.2015       101.0412 0.000000       0.000000 553.2015       101.0412 ?        ?        149.4389 14.31741 0.000000       14.31741 
1 1 1 7   20  16 o 136.2017 14.14144 460.4806       90.74535 0.000000       0.000000 460.4806       90.74535 ?        ?        136.2017 14.14144 0.000000       14.14144 
1 1 1 7   20  17 o 177.4722 11.91753 772.1815       100.5310 1062.488       197.0301 670.0034       116.8915 203.6521 20.51580 164.0209 15.07498 39.63121       25.45885 
1 1 1 7   20  18 o 183.7265 11.47687 826.6241       100.3065 989.2000       208.2252 777.4974       114.4627 194.6121 22.81223 177.3059 13.60706 17.30626       26.56219 
1 1 1 7   20  19 o 109.0415 16.04376 301.6887       81.14058 387.9744       294.9825 294.6256       84.39621 112.8033 41.54569 107.3628 17.00843 5.440506       44.89244 
1 1 1 7   20  20 o 52.49236 20.02918 53.84498       69.84809 43.75394       260.4955 54.62669       72.50307 79.50279 35.07365 53.15984 20.37592 26.34295       40.56279 
1 1 1 7   20  21 o 202.3135 18.10699 1048.916       173.2879 963.5500       250.0347 1127.818       240.3822 184.4100 29.34220 203.7190 25.21903 -19.30907      38.69062 
1 1 1 7   20  22 o 167.8188 25.96264 785.3714       201.5851 596.4772       247.7684 1155.253       346.7112 135.2919 37.16848 187.2656 39.94493 -51.97369      54.56275 
1 1 1 7   20  23 o 104.5134 30.44590 334.8385       161.3640 410.1740       240.4353 273.0960       217.6660 109.3788 37.80796 93.59308 35.44054 15.78571       51.82156 
1 1 1 7   20  24 o 65.30391 25.85496 95.10917       119.7905 122.2082       146.0608 39.42965       209.3653 71.48347 28.46923 69.67076 31.05035 1.812706       42.12626 
1 1 1 7   20  25 o 87.51491 26.46723 229.1082       120.1342 181.7385       133.9222 424.2733       271.8340 78.79119 28.13722 105.5401 39.68458 -26.74886      48.64740 
1 1 1 7   20  26 o 40.95330 19.53639 -103.0336      106.4332 -211.7984      119.9596 299.3123       230.7228 37.70338 18.59014 91.24091 35.95744 -53.53753      40.47877 
1 1 1 7   20  27 o 66.76340 26.08712 121.8983       120.5585 116.8518       136.2470 140.1037       258.7806 67.02710 27.21400 75.75606 34.08288 -8.728958      43.61473 
1 1 1 7   20  28 o 69.02768 30.75250 106.4248       205.1741 107.1224       226.8284 103.2856       481.1758 70.24475 31.72863 78.22647 38.29924 -7.981720      49.73467 
1 1 1 7   21  0  o 187.7914 14.28955 868.5832       127.3297 0.000000       0.000000 868.5832       127.3297 ?        ?        187.7914 14.28955 0.000000       14.28955 
1 1 1 7   21  1  o 380.5916 14.50805 3556.158       263.5000 0.000000       0.000000 3556.158       263.5000 ?        ?        380.5916 14.50805 0.000000       14.50805 
1 1 1 7   21  2  o 108.7521 15.39812 296.0501       77.82321 0.000000       0.000000 296.0501       77.82321 ?        ?        108.7521 15.39812 0.000000       15.39812 
1 1 1 7   21  3  o 284.9215 12.68537 1982.112       172.3639 0.000000       0.000000 1982.112       172.3639 ?        ?        284.9215 12.68537 0.000000       12.68537 
1 1 1 7   21  4  o 269.4319 13.42243 1777.442       172.3530 0.000000       0.000000 1777.442       172.3530 ?        ?        269.4319 13.42243 0.000000       13.42243 
1 1 1 7   21  5  o 77.72206 24.22357 155.8225       99.69159 0.000000       0.000000 155.8225       99.69159 ?        ?        77.72206 24.22357 0.000000       24.22357 
1 1 1 7   21  6  o 227.6764 13.94440 1273.417       151.0560 0.000000       0.000000 1273.417       151.0560 ?        ?        227.6764 13.94440 0.000000       13.94440 
1 1 1 7   21  7  o 214.7988 10.98623 1122.478       112.4460 0.000000       0.000000 1122.478       112.4460 ?        ?        214.7988 10.98623 0.000000       10.98623 
1 1 1 7   21  8  o 165.9471 13.43795 677.6210       105.7019 0.000000       0.000000 677.6210       105.7019 ?        ?        165.9471 13.43795 0.000000       13.43795 
1 1 1 7   21  9  o 165.0679 12.91266 669.3757       101.0926 0.000000       0.000000 669.3757       101.0926 ?        ?        165.0679 12.91266 0.000000       12.91266 
1 1 1 7   21  10 o 43.47886 18.76690 -1.874507      71.15068 0.000000       0.000000 -1.874507      71.15068 ?        ?        43.47886 18.76690 0.000000       18.76690 
1 1 1 7   21  11 o 182.4431 12.44696 816.3666       107.9171 0.000000       0.000000 816.3666       107.9171 ?        ?        182.4431 12.44696 0.000000       12.44696 
1 1 1 7   21  12 o 94.82479 18.12327 231.5777       79.16703 0.000000       0.000000 231.5777       79.16703 ?        ?        94.82479 18.12327 0.000000       18.12327 
1 1 1 7   21  13 o 78.39270 25.09469 160.6237       106.3388 0.000000       0.000000 160.6237       106.3388 ?        ?        78.39270 25.09469 0.000000       25.09469 
1 1 1 7   21  14 f 130.3721 13.70469 422.1090       84.14476 0.000000       0.000000 422.1090       84.14476 ?        ?        130.3721 13.70469 0.000000       13.70469 
1 1 1 7   21  15 o 162.1846 14.81860 655.6833       113.6333 0.000000       0.000000 655.6833       113.6333 ?        ?        162.1846 14.81860 0.000000       14.81860 
1 1 1 7   21  16 f 163.6164 13.78201 664.8472       106.8058 0.000000       0.000000 664.8472       106.8058 ?        ?        163.6164 13.78201 0.000000       13.78201 
1 1 1 7   21  17 o 54.87218 22.95135 30.80950       100.8094 0.000000       0.000000 30.80950       100.8094 ?        ?        54.87218 22.95135 0.000000       22.95135 
1 1 1 7   21  18 o 76.11358 24.28704 156.6466       99.66547 0.000000       0.000000 156.6466       99.66547 ?        ?        76.11358 24.28704 0.000000       24.28704 
1 1 1 7   21  19 o 59.01539 22.76438 72.85413       90.89792 295.9761       298.7936 50.09877       95.42058 98.78191 40.22880 56.05031 22.76818 42.73160       46.22495 
1 1 1 7   21  20 o 75.86179 24.34611 159.7005       100.0428 411.3174       305.3198 129.4364       105.8885 107.3088 41.63211 70.24844 25.02685 37.06032       48.57547 
1 1 1 7   21  21 o 159.0179 14.30149 641.4239       107.5663 1188.846       324.8951 574.0316       113.9953 190.3778 37.02939 149.1402 16.25014 41.23759       40.43814 
1 1 1 7   21  22 f 64.40370 28.23399 38.92162       166.3726 22.99395       280.0378 47.61030       206.8320 74.84911 34.36134 69.76094 30.98987 5.088165       46.27174 
1 1 1 7   21  23 o 103.0196 34.67943 370.5756       202.0537 367.7637       241.9410 377.0578       367.3415 99.88956 37.46454 97.45340 42.35078 2.436165       56.54362 
1 1 1 7   21  24 o 147.4561 25.97219 651.7772       176.4105 761.3063       252.7791 547.7817       246.3109 144.9520 36.50300 117.8835 38.23395 27.06850       52.86118 
1 1 1 7   21  25 o 57.98779 25.04577 50.47439       126.8878 39.14473       149.4215 79.77181       240.2809 59.58701 26.41224 70.49146 32.15963 -10.90444      41.61548 
1 1 1 7   22  0  o 314.5531 14.26091 2448.060       213.9037 0.000000       0.000000 2448.060       213.9037 ?        ?        314.5531 14.26091 0.000000       14.26091 
1 1 1 7   22  1  o 232.3395 12.70364 1327.107       140.5737 0.000000       0.000000 1327.107       140.5737 ?        ?        232.3395 12.70364 0.000000       12.70364 
1 1 1 7   22  2  o 199.2021 11.15159 969.7137       105.7796 0.000000       0.000000 969.7137       105.7796 ?        ?        199.2021 11.15159 0.000000       11.15159 
1 1 1 7   22  3  o 50.16672 17.39790 57.93499       50.93054 0.000000       0.000000 57.93499       50.93054 ?        ?        50.16672 17.39790 0.000000       17.39790 
1 1 1 7   22  4  f 122.9681 17.69490 385.1549       101.0365 0.000000       0.000000 385.1549       101.0365 ?        ?        122.9681 17.69490 0.000000       17.69490 
1 1 1 7   22  5  o 105.6017 22.23541 295.5329       108.7054 0.000000       0.000000 295.5329       108.7054 ?        ?        105.6017 22.23541 0.000000       22.23541 
1 1 1 7   22  6  o 131.5941 15.16312 433.5605       93.65457 0.000000       0.000000 433.5605       93.65457 ?        ?        131.5941 15.16312 0.000000       15.16312 
1 1 1 7   22  7  o 88.36192 17.58481 201.6802       71.67313 0.000000       0.000000 201.6802       71.67313 ?        ?        88.36192 17.58481 0.000000       17.58481 
1 1 1 7   22  8  o 70.70078 18.94278 130.7344       65.31732 0.000000       0.000000 130.7344       65.31732 ?        ?        70.70078 18.94278 0.000000       18.94278 
1 1 1 7   22  9  o 197.2775 12.60588 958.2981       118.2717 0.000000       0.000000 958.2981       118.2717 ?        ?        197.2775 12.60588 0.000000       12.60588 
1 1 1 7   22  10 o 153.1714 14.50180 585.6525       104.9314 0.000000       0.000000 585.6525       104.9314 ?        ?        153.1714 14.50180 0.000000       14.50180 
1 1 1 7   22  11 o 44.10587 19.08066 -0.4617763     73.87980 0.000000       0.000000 -0.4617763     73.87980 ?        ?        44.10587 19.08066 0.000000       19.08066 
1 1 1 7   22  12 o 60.18010 17.96218 93.59824       55.60071 0.000000       0.000000 93.59824       55.60071 ?        ?        60.18010 17.96218 0.000000       17.96218 
1 1 1 7   22  13 o 121.4719 14.94494 373.2156       84.96435 0.000000       0.000000 373.2156       84.96435 ?        ?        121.4719 14.94494 0.000000       14.94494 
1 1 1 7   22  14 f 74.27129 19.33639 147.4544       69.32124 0.000000       0.000000 147.4544       69.32124 ?        ?        74.27129 19.33639 0.000000       19.33639 
1 1 1 7   22  15 o 139.9698 18.21703 509.7916       119.0151 0.000000       0.000000 509.7916       119.0151 ?        ?        139.9698 18.21703 0.000000       18.21703 
1 1 1 7   22  16 o 236.7780 12.17003 1390.995       137.3036 0.000000       0.000000 1390.995       137.3036 ?        ?        236.7780 12.17003 0.000000       12.17003 
1 1 1 7   22  17 o 156.3439 16.17011 627.8840       119.1230 0.000000       0.000000 627.8840       119.1230 ?        ?        156.3439 16.17011 0.000000       16.17011 
1 1 1 7   22  18 o 91.03577 21.57625 229.8741       92.46345 0.000000       0.000000 229.8741       92.46345 ?        ?        91.03577 21.57625 0.000000       21.57625 
1 1 1 7   22  19 o 203.0174 14.51126 1048.829       139.9180 0.000000       0.000000 1048.829       139.9180 ?        ?        203.0174 14.51126 0.000000       14.51126 
1 1 1 7   22  20 o 132.0221 13.80552 445.6078       85.85141 476.0068       201.2116 438.8419       94.92571 118.2723 33.86109 129.8729 15.60012 -11.60060      37.28186 
1 1 1 7   22  21 o 38.58526 17.48618 -23.59146      69.57472 -183.0530      190.0764 1.078915       74.76323 51.76377 25.05158 43.17805 18.92785 8.585716       31.39817 
1 1 1 7   22  22 o 152.6800 14.26879 604.7172       102.9481 692.4478       214.5415 578.4739       117.3399 142.8655 32.18537 146.9499 17.01609 -4.084412      36.40667 
1 1 1 7   23  0  o 128.2592 16.57149 421.6490       99.24253 0.000000       0.000000 421.6490       99.24253 ?        ?        128.2592 16.57149 0.000000       16.57149 
1 1 1 7   23  1  o 155.2607 16.89855 616.3476       123.4136 0.000000       0.000000 616.3476       123.4136 ?        ?        155.2607 16.89855 0.000000       16.89855 
1 1 1 7   23  2  o 84.61642 22.38898 195.6649       91.96333 0.000000       0.000000 195.6649       91.96333 ?        ?        84.61642 22.38898 0.000000       22.38898 
1 1 1 7   23  3  o 66.87522 18.17019 118.1228       59.59374 0.000000       0.000000 118.1228       59.59374 ?        ?        66.87522 18.17019 0.000000       18.17019 
1 1 1 7   23  4  o 116.0643 13.23462 337.5816       72.12688 0.000000       0.000000 337.5816       72.12688 ?        ?        116.0643 13.23462 0.000000       13.23462 
1 1 1 7   23  5  o 53.23086 23.98777 -31.83849      128.7801 0.000000       0.000000 -31.83849      128.7801 ?        ?        53.23086 23.98777 0.000000       23.98777 
1 1 1 7   23  6  f 79.07658 21.06946 169.3643       81.08569 0.000000       0.000000 169.3643       81.08569 ?        ?        79.07658 21.06946 0.000000       21.06946 
1 1 1 7   23  7  o 33.85332 16.10358 -80.70434      71.27084 0.000000       0.000000 -80.70434      71.27084 ?        ?        33.85332 16.10358 0.000000       16.10358 
1 1 1 7   23  8  o 68.53559 30.77949 -2.098046      209.9992 0.000000       0.000000 -2.098046      209.9992 ?        ?        68.53559 30.77949 0.000000       30.77949 
1 1 1 7   23  9  o 113.5293 15.35044 329.2734       81.18488 0.000000       0.000000 329.2734       81.18488 ?        ?        113.5293 15.35044 0.000000       15.35044 
1 1 1 7   23  10 o 152.4664 13.70017 583.8357       98.80020 0.000000       0.000000 583.8357       98.80020 ?        ?        152.4664 13.70017 0.000000       13.70017 
1 1 1 7   23  11 o 121.9389 14.48256 377.5503       82.78266 0.000000       0.000000 377.5503       82.78266 ?        ?        121.9389 14.48256 0.000000       14.48256 
1 1 1 7   23  12 o 152.1047 14.80324 587.4789       106.2882 0.000000       0.000000 587.4789       106.2882 ?        ?        152.1047 14.80324 0.000000       14.80324 
1 1 1 7   23  13 o 77.56116 20.80505 165.5313       78.73514 0.000000       0.000000 165.5313       78.73514 ?        ?        77.56116 20.80505 0.000000       20.80505 
1 1 1 7   23  14 o 119.2265 17.82996 375.2714       98.51594 0.000000       0.000000 375.2714       98.51594 ?        ?        119.2265 17.82996 0.000000       17.82996 
1 1 1 7   23  15 o 51.43305 19.84435 55.16905       69.08616 0.000000       0.000000 55.16905       69.08616 ?        ?        51.43305 19.84435 0.000000       19.84435 
1 1 1 7   23  16 o 60.70275 20.34835 98.44405       69.56856 0.000000       0.000000 98.44405       69.56856 ?        ?        60.70275 20.34835 0.000000       20.34835 
1 1 1 7   23  17 o 133.3403 15.40580 463.6222       96.40556 0.000000       0.000000 463.6222       96.40556 ?        ?        133.3403 15.40580 0.000000       15.40580 
1 1 1 7   23  18 o 86.35460 21.47765 215.0259       88.30183 0.000000       0.000000 215.0259       88.30183 ?        ?        86.35460 21.47765 0.000000       21.47765 
1 1 1 7   24  2  o 78.81210 18.86159 169.3139       70.11969 0.000000       0.000000 169.3139       70.11969 ?        ?        78.81210 18.86159 0.000000       18.86159 
1 1 1 7   24  3  o 63.30421 19.28448 108.2102       63.61899 0.000000       0.000000 108.2102       63.61899 ?        ?        63.30421 19.28448 0.000000       19.28448 
1 1 1 7   24  4  o 122.1972 14.23761 382.0002       81.62135 0.000000       0.000000 382.0002       81.62135 ?        ?        122.1972 14.23761 0.000000       14.23761 
1 1 1 7   24  5  o 83.46611 24.83431 202.9218       106.4139 0.000000       0.000000 202.9218       106.4139 ?        ?        83.46611 24.83431 0.000000       24.83431 
1 1 1 7   24  6  o 103.1091 19.87303 290.2278       94.41280 0.000000       0.000000 290.2278       94.41280 ?        ?        103.1091 19.87303 0.000000       19.87303 
1 1 1 7   24  7  o 78.94885 23.56602 179.1155       95.70205 0.000000       0.000000 179.1155       95.70205 ?        ?        78.94885 23.56602 0.000000       23.56602 
1 1 1 7   24  8  o 79.59325 22.63594 181.0571       90.21326 0.000000       0.000000 181.0571       90.21326 ?        ?        79.59325 22.63594 0.000000       22.63594 
1 1 1 7   24  9  o 142.4160 39.24806 748.3269       275.7817 0.000000       0.000000 748.3269       275.7817 ?        ?        142.4160 39.24806 0.000000       39.24806 
1 1 1 7   24  10 o 30.73008 14.66575 -69.38982      60.11263 0.000000       0.000000 -69.38982      60.11263 ?        ?        30.73008 14.66575 0.000000       14.66575 
1 1 1 7   24  11 o 50.62261 18.51118 60.71342       58.39509 0.000000       0.000000 60.71342       58.39509 ?        ?        50.62261 18.51118 0.000000       18.51118 
1 1 1 7   24  12 o 90.00500 17.32012 218.6123       71.82411 0.000000       0.000000 218.6123       71.82411 ?        ?        90.00500 17.32012 0.000000       17.32012 
1 1 1 8   -16 0  f 66.40337 25.71533 117.3188       116.3279 117.3188       116.3279 0.000000       0.000000 66.40337 25.71533 ?        ?        0.000000       25.71533 
1 1 1 8   -16 1  o 155.4292 18.24859 652.3635       133.0234 652.3635       133.0234 0.000000       0.000000 155.4292 18.24859 ?        ?        0.000000       18.24859 
1 1 1 8   -16 2  o 68.58512 24.50068 134.1488       101.5507 134.1488       101.5507 0.000000       0.000000 68.58512 24.50068 ?        ?        0.000000       24.50068 
1 1 1 8   -16 3  o 68.26305 26.27082 127.8890       120.8583 127.8890       120.8583 0.000000       0.000000 68.26305 26.27082 ?        ?        0.000000       26.27082 
1 1 1 8   -16 4  o 89.48228 26.51967 250.7297       121.5382 250.7297       121.5382 0.000000       0.000000 89.48228 26.51967 ?        ?        0.000000       26.51967 
1 1 1 8   -16 5  o 189.8499 14.42192 932.4573       129.9213 932.4573       129.9213 0.000000       0.000000 189.8499 14.42192 ?        ?        0.000000       14.42192 
1 1 1 8   -16 6  o 94.46572 28.68534 292.3759       140.9157 292.3759       140.9157 0.000000       0.000000 94.46572 28.68534 ?        ?        0.000000       28.68534 
1 1 1 8   -15 0  o 273.9417 11.09769 1855.500       145.0438 1855.500       145.0438 0.000000       0.000000 273.9417 11.09769 ?        ?        0.000000       11.09769 
1 1 1 8   -15 1  o 110.2024 22.70818 338.1219       115.6600 338.1219       115.6600 0.000000       0.000000 110.2024 22.70818 ?        ?        0.000000       22.70818 
1 1 1 8   -15 2  o 61.11717 21.46038 94.80774       77.62898 94.80774       77.62898 0.000000       0.000000 61.11717 21.46038 ?        ?        0.000000       21.46038 
1 1 1 8   -15 3  f 54.89558 19.42296 73.37202       63.67969 73.37202       63.67969 0.000000       0.000000 54.89558 19.42296 ?        ?        0.000000       19.42296 
1 1 1 8   -15 4  o 187.1577 13.13916 879.2431       116.8195 879.2431       116.8195 0.000000       0.000000 187.1577 13.13916 ?        ?        0.000000       13.13916 
1 1 1 8   -15 5  o 47.31684 21.88765 -61.03016      116.7321 -61.03016      116.7321 0.000000       0.000000 47.31684 21.88765 ?        ?        0.000000       21.88765 
1 1 1 8   -15 6  o 85.98996 23.66391 210.6075       100.3349 210.6075       100.3349 0.000000       0.000000 85.98996 23.66391 ?        ?        0.000000       23.66391 
1 1 1 8   -15 7  o 80.88013 28.11767 190.3950       133.0667 190.3950       133.0667 0.000000       0.000000 80.88013 28.11767 ?        ?        0.000000       28.11767 
1 1 1 8   -15 8  o 145.2857 15.82707 545.6768       108.1588 545.6768       108.1588 0.000000       0.000000 145.2857 15.82707 ?        ?        0.000000       15.82707 
1 1 1 8   -15 9  o 141.8465 18.76992 538.0589       124.1676 538.0589       124.1676 0.000000       0.000000 141.8465 18.76992 ?        ?        0.000000       18.76992 
1 1 1 8   -15 10 o 43.28365 17.84855 24.13169       59.75114 -17.20563      102.3923 45.47721       73.57824 47.69675 21.45063 50.17136 20.13027 -2.474617      29.41695 
1 1 1 8   -15 11 o 60.23290 20.45034 97.09849       70.26720 97.37585       142.9055 97.01004       80.69617 66.56935 27.54144 60.86692 21.82923 5.702431       35.14322 
1 1 1 8   -15 12 o 129.6142 10.43207 419.2542       64.09885 506.0346       102.8505 364.1422       81.96323 138.9184 15.76438 118.2520 14.82257 20.66647       21.63849 
1 1 1 8   -14 0  o 123.7683 12.67653 380.6674       73.95125 380.6674       73.95125 0.000000       0.000000 123.7683 12.67653 ?        ?        0.000000       12.67653 
1 1 1 8   -14 1  o 276.7315 9.868158 1865.860       130.3489 1865.860       130.3489 0.000000       0.000000 276.7315 9.868158 ?        ?        0.000000       9.868158 
1 1 1 8   -14 2  o 75.40260 23.00792 151.9822       90.50843 151.9822       90.50843 0.000000       0.000000 75.40260 23.00792 ?        ?        0.000000       23.00792 
1 1 1 8   -14 3  o 164.7939 12.69968 672.3455       99.28452 672.3455       99.28452 0.000000       0.000000 164.7939 12.69968 ?        ?        0.000000       12.69968 
1 1 1 8   -14 4  o 85.52079 24.77951 201.1830       107.1489 201.1830       107.1489 0.000000       0.000000 85.52079 24.77951 ?        ?        0.000000       24.77951 
1 1 1 8   -14 5  f 43.90388 19.38804 -13.02260      79.78737 -13.02260      79.78737 0.000000       0.000000 43.90388 19.38804 ?        ?        0.000000       19.38804 
1 1 1 8   -14 6  o 42.64970 19.76656 -64.39254      95.88519 -64.39254      95.88519 0.000000       0.000000 42.64970 19.76656 ?        ?        0.000000       19.76656 
1 1 1 8   -14 7  o 188.5848 13.82178 888.5314       123.7520 888.5314       123.7520 0.000000       0.000000 188.5848 13.82178 ?        ?        0.000000       13.82178 
1 1 1 8   -14 8  o 97.00948 15.53167 241.7354       69.60528 241.7354       69.60528 0.000000       0.000000 97.00948 15.53167 ?        ?        0.000000       15.53167 
1 1 1 8   -14 9  o 23.65607 11.76690 -125.4048      52.13605 -139.4927      105.5215 -120.8551      59.96672 39.13829 18.87339 26.79927 13.20029 12.33902       23.03156 
1 1 1 8   -14 10 o 89.90636 16.90845 211.8142       70.01095 73.25472       131.6715 266.4268       82.66470 64.63360 26.55769 100.6395 17.83355 -36.00591      31.98979 
1 1 1 8   -14 11 o 88.59692 15.71725 203.8241       64.13602 330.3507       139.5559 169.9454       72.21384 106.2978 27.31511 79.34792 19.23771 26.94991       33.40965 
1 1 1 8   -14 12 o 107.1353 15.11350 294.8194       75.26358 477.6530       226.9801 272.2336       79.77698 119.3874 36.43694 101.9960 16.95513 17.39143       40.18865 
1 1 1 8   -14 13 o 132.6622 13.21820 443.9278       82.72094 747.6619       220.6853 394.2762       89.22635 157.3444 30.43762 123.8124 15.40604 33.53201       34.11444 
1 1 1 8   -14 14 o 71.17779 20.44413 139.9342       73.23398 180.1552       134.1592 122.8621       87.40521 78.85429 28.16184 67.27308 22.80865 11.58121       36.23981 
1 1 1 8   -14 15 o 130.4643 13.71237 434.6000       84.25179 401.1020       157.9273 447.9266       99.61082 113.4531 29.00700 130.8250 16.27706 -17.37188      33.26182 
1 1 1 8   -14 16 o 108.7849 17.06087 315.6444       85.81584 106.5123       301.5156 334.0786       89.51814 78.35668 35.85306 111.8075 17.30536 -33.45079      39.81102 
1 1 1 8   -13 0  o 171.4740 11.45093 719.8467       93.33647 719.8467       93.33647 0.000000       0.000000 171.4740 11.45093 ?        ?        0.000000       11.45093 
1 1 1 8   -13 1  o 194.4324 10.59531 921.5702       98.11744 921.5702       98.11744 0.000000       0.000000 194.4324 10.59531 ?        ?        0.000000       10.59531 
1 1 1 8   -13 2  o 85.70408 17.98740 190.2486       71.34872 190.2486       71.34872 0.000000       0.000000 85.70408 17.98740 ?        ?        0.000000       17.98740 
1 1 1 8   -13 3  o 169.8983 21.61824 747.7122       171.6260 747.7122       171.6260 0.000000       0.000000 169.8983 21.61824 ?        ?        0.000000       21.61824 
1 1 1 8   -13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -13 5  o 73.95670 24.08161 141.0254       97.66112 141.0254       97.66112 0.000000       0.000000 73.95670 24.08161 ?        ?        0.000000       24.08161 
1 1 1 8   -13 6  o 114.6141 18.59155 337.8194       98.38631 337.8194       98.38631 0.000000       0.000000 114.6141 18.59155 ?        ?        0.000000       18.59155 
1 1 1 8   -13 7  o 71.04483 23.05030 129.4910       89.51942 129.4910       89.51942 0.000000       0.000000 71.04483 23.05030 ?        ?        0.000000       23.05030 
1 1 1 8   -13 8  o 219.4541 7.730081 1163.528       80.97621 1154.518       117.9874 1171.551       111.3371 217.2622 11.39895 219.1744 10.65726 -1.912186      15.60491 
1 1 1 8   -13 9  o 141.7274 10.73397 491.7025       72.19075 466.7800       118.2662 506.5034       91.13999 134.8568 18.85827 142.9001 13.50041 -8.043335      23.19257 
1 1 1 8   -13 10 o 126.8214 11.66466 396.2694       69.93329 266.4090       138.0572 441.0925       81.10945 97.69224 28.07314 133.4380 12.87368 -35.74575      30.88419 
1 1 1 8   -13 11 o 200.2256 10.20028 978.3436       97.32104 1347.800       233.3764 900.5703       107.0756 227.3669 21.73367 191.4375 11.75586 35.92932       24.70937 
1 1 1 8   -13 12 o 57.18130 19.40452 80.05529       63.26332 127.6215       113.2645 58.48737       76.26917 71.70155 25.84341 54.45996 20.89231 17.24159       33.23207 
1 1 1 8   -13 13 o 163.5231 12.23292 662.2980       94.94209 581.3423       212.8057 682.4162       106.0852 139.3960 32.52863 165.3629 13.53701 -25.96683      35.23298 
1 1 1 8   -13 14 o 75.18336 15.59206 147.0037       54.20435 -10.67631      209.9653 158.2628       56.10621 67.84236 30.59571 78.08141 15.57623 -10.23904      34.33244 
1 1 1 8   -13 15 o 117.9460 13.83319 351.5139       76.52283 305.2329       161.4695 364.9191       86.90142 100.4448 30.74697 119.3563 15.60222 -18.91153      34.47906 
1 1 1 8   -13 16 o 46.14605 18.81554 29.10373       65.45733 -4.014665      152.3425 36.60236       72.48994 59.39355 26.47723 49.09686 19.88087 10.29669       33.11031 
1 1 1 8   -13 17 o 47.90344 19.31204 36.27164       68.06459 -27.42387      158.3014 50.71794       75.38910 57.98537 26.31691 52.02650 20.53835 5.958870       33.38268 
1 1 1 8   -13 18 o 38.72665 15.76827 19.55351       45.89472 292.4821       169.6540 -1.996686      47.67220 95.25480 31.77368 35.06464 15.24724 60.19016       35.24265 
1 1 1 8   -13 19 o 47.86522 20.19886 24.80585       79.16772 83.94193       250.8090 18.26185       83.43317 74.62370 33.56528 47.83017 20.47866 26.79352       39.31926 
1 1 1 8   -12 0  o 75.15996 17.75654 145.3184       62.78351 145.3184       62.78351 0.000000       0.000000 75.15996 17.75654 ?        ?        0.000000       17.75654 
1 1 1 8   -12 1  o 245.7671 9.097336 1459.673       106.7078 1459.673       106.7078 0.000000       0.000000 245.7671 9.097336 ?        ?        0.000000       9.097336 
1 1 1 8   -12 2  o 154.6078 11.40331 583.0065       83.69579 583.0065       83.69579 0.000000       0.000000 154.6078 11.40331 ?        ?        0.000000       11.40331 
1 1 1 8   -12 3  o 117.4999 14.81576 343.3253       81.38154 343.3253       81.38154 0.000000       0.000000 117.4999 14.81576 ?        ?        0.000000       14.81576 
1 1 1 8   -12 4  o 341.4482 8.702273 2813.467       141.9423 2813.467       141.9423 0.000000       0.000000 341.4482 8.702273 ?        ?        0.000000       8.702273 
1 1 1 8   -12 5  o 192.8284 10.66214 903.4930       97.91065 903.4930       97.91065 0.000000       0.000000 192.8284 10.66214 ?        ?        0.000000       10.66214 
1 1 1 8   -12 6  o 81.46310 21.26229 173.4099       83.67797 173.4099       83.67797 0.000000       0.000000 81.46310 21.26229 ?        ?        0.000000       21.26229 
1 1 1 8   -12 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -12 8  o 124.5468 10.08746 378.1375       59.55156 338.6150       85.05000 416.1516       83.41116 116.1941 15.71254 129.6927 13.65718 -13.49862      20.81832 
1 1 1 8   -12 9  f 52.52186 15.97503 68.82369       43.67973 117.7917       70.46931 38.27209       55.66227 67.72565 20.22353 46.45591 17.84139 21.26974       26.96862 
1 1 1 8   -12 10 o 121.0565 12.43884 361.3303       70.96760 282.6619       194.7592 373.3749       76.20699 101.1372 34.04768 122.8522 13.18073 -21.71500      36.50995 
1 1 1 8   -12 11 o 189.9274 10.17510 877.4766       92.05485 952.9110       172.4817 847.4314       108.8545 194.0153 18.83169 185.8912 12.31787 8.124115       22.50250 
1 1 1 8   -12 12 o 208.6941 12.47479 1068.725       123.8982 916.6852       206.5116 1154.229       154.8666 187.1225 23.60839 215.6273 15.11842 -28.50488      28.03431 
1 1 1 8   -12 13 o 327.5213 13.72900 2642.073       214.4977 2666.884       315.4550 2620.738       292.5315 323.2772 20.51636 321.8123 19.09938 1.464905       28.03048 
1 1 1 8   -12 14 o 195.9537 10.67549 937.0262       99.63368 1101.341       232.8876 900.2142       110.2308 204.2733 24.32379 191.4979 12.10201 12.77541       27.16810 
1 1 1 8   -12 15 o 55.54818 19.92091 69.91228       67.20311 48.40503       232.9118 71.86541       70.18826 77.18296 33.62988 56.43409 20.34350 20.74887       39.30429 
1 1 1 8   -12 16 o 144.7320 12.03959 517.7018       82.55388 609.8131       170.2066 489.3674       94.40100 150.0671 24.57344 139.7419 14.33289 10.32524       28.44795 
1 1 1 8   -12 17 o 155.3837 12.18061 598.3139       89.76349 666.4329       181.9240 576.3932       103.2007 155.6459 25.31733 151.4268 14.42937 4.219116       29.14058 
1 1 1 8   -12 18 o 104.8673 16.15397 283.6587       78.39283 393.8563       150.0620 242.2977       91.93496 116.9661 27.32994 94.55895 20.89361 22.40714       34.40157 
1 1 1 8   -12 19 o 56.08586 17.60230 81.14754       52.54601 215.0170       144.5422 60.76163       56.40520 86.09093 29.32907 51.09111 18.25885 34.99983       34.54823 
1 1 1 8   -12 20 o 153.3798 12.76711 589.7698       92.77197 574.8745       178.2950 595.2997       108.6366 140.4564 27.53622 152.7328 15.07401 -12.27637      31.39218 
1 1 1 8   -12 21 o 50.40390 19.08315 55.16154       63.10274 76.77777       160.1061 51.18616       68.66051 67.00777 28.51949 50.55946 19.70678 16.44831       34.66581 
1 1 1 8   -12 22 o 85.37428 19.30655 201.5362       76.94903 39.59298       187.9616 234.1422       84.34057 65.72823 29.34835 91.90408 19.78152 -26.17584      35.39258 
1 1 1 8   -11 0  o 349.0399 8.398467 2934.176       140.1469 2934.176       140.1469 0.000000       0.000000 349.0399 8.398467 ?        ?        0.000000       8.398467 
1 1 1 8   -11 1  o 180.6392 9.756048 790.1019       83.94207 790.1019       83.94207 0.000000       0.000000 180.6392 9.756048 ?        ?        0.000000       9.756048 
1 1 1 8   -11 2  o 274.2964 9.525811 1817.870       124.7300 1817.870       124.7300 0.000000       0.000000 274.2964 9.525811 ?        ?        0.000000       9.525811 
1 1 1 8   -11 3  f 161.0030 10.37967 629.1745       79.47048 629.1745       79.47048 0.000000       0.000000 161.0030 10.37967 ?        ?        0.000000       10.37967 
1 1 1 8   -11 4  o 168.6354 10.89952 691.0261       87.40417 691.0261       87.40417 0.000000       0.000000 168.6354 10.89952 ?        ?        0.000000       10.89952 
1 1 1 8   -11 5  o 149.1325 12.22650 543.4186       86.40846 543.4186       86.40846 0.000000       0.000000 149.1325 12.22650 ?        ?        0.000000       12.22650 
1 1 1 8   -11 6  o 117.3400 12.94864 338.7323       71.43384 338.7323       71.43384 0.000000       0.000000 117.3400 12.94864 ?        ?        0.000000       12.94864 
1 1 1 8   -11 7  o 204.3784 7.776933 1006.233       75.85053 966.7870       104.9118 1049.435       109.7923 199.5466 11.03996 207.9119 11.08555 -8.365280      15.64513 
1 1 1 8   -11 8  o 134.5914 8.918774 438.4783       57.06557 479.5267       82.41625 400.6744       79.09214 139.9834 12.44438 127.6844 13.14404 12.29902       18.10051 
1 1 1 8   -11 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -11 10 o 398.9638 11.51023 3862.425       219.3167 3993.745       267.0784 3590.528       384.3050 404.3623 13.83566 377.8457 21.36120 26.51657       25.45047 
1 1 1 8   -11 11 o 37.35764 15.87221 2.693123       49.44111 -18.54300      93.75842 10.87281       58.18902 47.80252 21.06721 41.78706 17.45477 6.015465       27.35866 
1 1 1 8   -11 12 o 108.8077 13.30416 292.9489       67.76997 570.0331       178.0246 245.9900       73.28799 146.7588 26.34065 98.78623 16.06952 47.97253       30.85546 
1 1 1 8   -11 13 o 252.7108 9.363394 1545.843       112.9312 1701.780       218.8497 1489.251       131.8403 261.1255 17.63367 247.3819 11.17622 13.74362       20.87712 
1 1 1 8   -11 14 o 135.1802 12.50434 449.5153       79.89752 902.1080       218.5699 379.7101       85.83813 185.1869 25.35204 123.4173 14.84547 61.76954       29.37880 
1 1 1 8   -11 15 o 51.13087 19.33567 50.43923       64.73937 40.65229       222.7119 51.34254       67.66109 76.60619 33.13459 51.92685 19.73705 24.67934       38.56750 
1 1 1 8   -11 16 o 143.8068 12.08128 508.2472       82.29447 591.2952       161.7289 479.2316       95.59566 150.0669 23.29721 138.7312 14.63323 11.33565       27.51166 
1 1 1 8   -11 17 o 145.3264 12.07789 519.3641       83.15810 573.2363       151.2314 496.0157       99.56095 148.2428 22.00509 140.9394 15.00619 7.303406       26.63474 
1 1 1 8   -11 18 o 129.7177 14.14193 419.8412       86.28478 511.1570       151.1439 375.6934       105.0927 138.5489 23.66735 120.7126 18.82393 17.83633       30.24044 
1 1 1 8   -11 19 o 38.83346 16.53192 4.675380       53.82031 -0.2528832E-05 135.6598 5.548719       58.63192 58.07552 25.47641 40.51558 17.25179 17.55994       30.76803 
1 1 1 8   -11 20 o 143.3254 13.36515 513.3334       90.52526 515.9668       169.2477 512.2781       107.1387 135.2545 27.11842 141.8309 16.08399 -6.576401      31.52941 
1 1 1 8   -11 21 o 52.26790 19.36292 59.99418       64.23712 -86.70367      169.6756 84.53805       69.40312 56.23928 26.14350 58.49356 20.30810 -2.254272      33.10440 
1 1 1 8   -11 22 o 64.33719 20.13661 109.9514       68.81358 181.8426       176.8293 97.12123       74.70210 82.05103 31.72394 61.62827 21.08264 20.42276       38.09049 
1 1 1 8   -11 23 o 260.6142 13.37115 1708.302       166.0432 2042.042       276.6717 1520.431       207.5823 275.0129 21.20646 240.8632 18.16026 34.14970       27.91969 
1 1 1 8   -11 24 o 174.6218 15.43263 788.2950       127.5140 883.6006       230.5930 746.3141       153.0427 169.6563 29.49984 166.1310 19.64859 3.525269       35.44443 
1 1 1 8   -10 0  o 201.0050 9.036375 974.9255       86.61590 974.9255       86.61590 0.000000       0.000000 201.0050 9.036375 ?        ?        0.000000       9.036375 
1 1 1 8   -10 1  o 219.7325 8.698739 1163.860       91.20107 1163.860       91.20107 0.000000       0.000000 219.7325 8.698739 ?        ?        0.000000       8.698739 
1 1 1 8   -10 2  o 219.0101 8.593510 1155.990       89.80476 1155.990       89.80476 0.000000       0.000000 219.0101 8.593510 ?        ?        0.000000       8.593510 
1 1 1 8   -10 3  o 70.13603 18.19182 125.5719       61.51026 125.5719       61.51026 0.000000       0.000000 70.13603 18.19182 ?        ?        0.000000       18.19182 
1 1 1 8   -10 4  o 154.2407 10.70885 577.3233       78.47748 577.3233       78.47748 0.000000       0.000000 154.2407 10.70885 ?        ?        0.000000       10.70885 
1 1 1 8   -10 5  o 202.5257 9.463098 990.6581       91.37333 990.6581       91.37333 0.000000       0.000000 202.5257 9.463098 ?        ?        0.000000       9.463098 
1 1 1 8   -10 6  o 129.3770 11.30745 407.8510       69.23852 407.8510       69.23852 0.000000       0.000000 129.3770 11.30745 ?        ?        0.000000       11.30745 
1 1 1 8   -10 7  o 153.7484 7.897543 569.8709       57.85667 583.8616       84.11742 557.3097       79.70422 154.9227 11.43762 151.4203 11.08688 3.502335       15.92916 
1 1 1 8   -10 8  o 127.4451 10.61375 395.1003       64.08311 426.7057       128.8415 384.7115       73.86820 129.2117 21.61989 125.3283 12.49451 3.883354       24.97063 
1 1 1 8   -10 9  o 142.6926 9.950610 493.7466       67.45742 573.2077       111.3305 447.6491       84.79610 152.3424 15.50136 135.0621 13.30466 17.28033       20.42807 
1 1 1 8   -10 10 f 102.0214 11.97079 255.6504       57.27845 277.3961       98.74376 244.6227       70.31779 103.9087 20.60496 98.91974 15.36728 4.988991       25.70443 
1 1 1 8   -10 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -10 12 o 69.46910 16.66212 123.1796       54.62581 237.1511       103.9818 79.73582       64.19827 95.27052 23.07613 58.15710 19.54772 37.11343       30.24271 
1 1 1 8   -10 13 o 315.1643 8.899313 2395.438       133.9575 2760.368       251.5409 2250.969       158.2673 335.2646 15.73715 304.8420 10.87689 30.42264       19.13020 
1 1 1 8   -10 14 o 85.99055 17.44008 188.4703       69.24252 25.94957       206.4609 209.0671       73.49934 74.52267 32.06565 90.63381 17.59691 -16.11114      36.57673 
1 1 1 8   -10 15 o 172.1037 10.68473 719.7042       87.48124 824.4545       166.7778 679.9434       102.7514 180.9631 19.58896 166.6122 13.00239 14.35095       23.51148 
1 1 1 8   -10 16 o 82.19496 15.44290 171.1663       58.45757 126.5441       121.1234 184.7163       66.74570 73.95045 26.71555 85.03172 17.01298 -11.08128      31.67273 
1 1 1 8   -10 17 o 142.1528 13.27360 498.1642       89.16665 421.8168       147.6488 541.9937       111.8705 125.7833 25.42802 147.2901 16.15129 -21.50679      30.12388 
1 1 1 8   -10 18 o 88.77353 19.88626 205.6999       82.30112 424.7989       135.9773 79.03399       103.3894 127.0489 23.24280 63.41848 24.32591 63.63039       33.64487 
1 1 1 8   -10 19 f 36.60653 15.99761 -7.998250      53.04357 -55.41271      134.8052 0.6877247      57.69796 53.43291 24.26444 39.63998 17.00211 13.79293       29.62827 
1 1 1 8   -10 20 o 111.5520 14.93869 312.5192       77.66972 497.5513       168.7437 262.7808       87.48830 135.0443 27.07958 100.7210 18.86159 34.32331       33.00097 
1 1 1 8   -10 21 o 183.2503 12.91360 829.5799       112.4114 971.6446       203.4696 767.1685       134.8617 192.3658 22.55165 174.4957 16.35639 17.87003       27.85872 
1 1 1 8   -10 22 o 67.46488 20.49195 119.9525       71.90599 439.2106       179.5699 58.98407       78.47211 122.3451 30.74190 54.85242 21.15320 67.49267       37.31651 
1 1 1 8   -10 23 o 56.31021 23.77128 33.02119       109.7126 130.5566       181.0636 -23.56579      137.9139 77.15508 31.35516 55.54577 24.94478 21.60931       40.06730 
1 1 1 8   -10 24 o 140.2810 21.09204 528.3073       137.0831 588.3746       231.8824 496.0361       169.9637 135.1879 35.44849 130.5559 28.06561 4.631973       45.21365 
1 1 1 8   -10 25 o 83.97897 24.48295 202.7521       104.3102 261.3165       384.9258 198.1106       108.3650 94.30164 42.05998 82.81865 25.15634 11.48299       49.00901 
1 1 1 8   -10 26 o 127.0957 25.52851 473.7679       149.7278 390.4122       257.6837 516.2554       183.9711 101.5515 38.53642 127.5993 30.56058 -26.04780      49.18338 
1 1 1 8   -9  0  o 67.67498 14.67068 115.5051       46.09494 115.5051       46.09494 0.000000       0.000000 67.67498 14.67068 ?        ?        0.000000       14.67068 
1 1 1 8   -9  1  o 152.2734 9.406394 560.2173       68.14445 560.2173       68.14445 0.000000       0.000000 152.2734 9.406394 ?        ?        0.000000       9.406394 
1 1 1 8   -9  2  f 53.50653 16.63415 69.71314       47.04173 69.71314       47.04173 0.000000       0.000000 53.50653 16.63415 ?        ?        0.000000       16.63415 
1 1 1 8   -9  3  o 196.2310 8.692370 927.7216       81.34580 927.7216       81.34580 0.000000       0.000000 196.2310 8.692370 ?        ?        0.000000       8.692370 
1 1 1 8   -9  4  o 290.3155 7.976730 2026.355       110.6093 2026.355       110.6093 0.000000       0.000000 290.3155 7.976730 ?        ?        0.000000       7.976730 
1 1 1 8   -9  5  o 130.4324 10.45547 412.7658       64.65284 412.7658       64.65284 0.000000       0.000000 130.4324 10.45547 ?        ?        0.000000       10.45547 
1 1 1 8   -9  6  o 300.8665 6.290233 2170.734       90.47925 2142.841       116.1756 2213.736       144.2466 298.4970 8.148410 302.9451 9.972997 -4.448120      12.87856 
1 1 1 8   -9  7  o 314.3332 7.697366 2373.311       115.6753 2368.469       178.4219 2376.822       151.9317 312.7311 11.95554 313.8517 10.13878 -1.120605      15.67578 
1 1 1 8   -9  8  o 285.7286 8.774035 1965.802       119.7144 1918.077       238.9189 1981.801       138.3329 279.0191 18.00666 286.5504 10.11341 -7.531342      20.65238 
1 1 1 8   -9  9  o 123.1028 10.39339 368.0531       60.59834 513.9442       131.9674 329.0714       68.21548 143.0756 19.82470 115.9278 12.50563 27.14780       23.43948 
1 1 1 8   -9  10 o 135.2412 10.59651 444.0700       67.96742 378.5914       145.6964 462.2832       76.84093 120.3019 26.08500 137.7574 11.78023 -17.45547      28.62169 
1 1 1 8   -9  11 o 210.3631 9.105343 1067.600       91.35756 1184.356       167.4681 1018.133       109.0060 219.5291 16.06756 204.9475 11.16718 14.58160       19.56712 
1 1 1 8   -9  12 o 235.6047 9.523839 1340.154       107.0553 1166.420       206.8716 1403.697       125.1106 216.0011 20.26940 240.7707 10.89706 -24.76964      23.01292 
1 1 1 8   -9  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -9  14 o 77.37511 19.79480 154.1311       73.51424 302.6848       186.6527 126.8562       79.97875 106.2178 33.15189 70.89469 21.62736 35.32310       39.58270 
1 1 1 8   -9  15 o 79.33581 21.05284 162.6302       81.16470 185.4072       181.2005 156.9133       90.78117 89.09903 32.60377 78.12244 22.85828 10.97659       39.81842 
1 1 1 8   -9  16 o 261.9103 12.20933 1667.656       152.4601 1697.090       226.8333 1643.403       205.9051 261.5520 18.25471 258.0923 16.77815 3.459656       24.79397 
1 1 1 8   -9  17 o 165.3219 13.29699 669.3771       104.2116 581.8790       210.4469 697.8035       119.9512 146.6578 30.98647 168.2547 15.07123 -21.59691      34.45727 
1 1 1 8   -9  18 o 118.7931 14.91069 350.6750       82.82246 374.4178       228.4482 347.0820       88.86847 115.6848 36.75392 117.7750 16.21258 -2.090141      40.17087 
1 1 1 8   -9  19 o 167.3548 13.78014 689.7035       109.2795 829.2064       255.4536 658.4560       120.9005 173.6376 31.94923 162.7763 15.73142 10.86122       35.61223 
1 1 1 8   -9  20 o 89.51151 20.63626 209.6920       86.50382 454.6025       257.3329 178.4914       91.84882 123.9655 38.96026 82.26550 22.64192 41.69998       45.06171 
1 1 1 8   -9  21 o 68.86464 22.47811 119.6396       85.06222 181.8628       273.1974 112.9599       89.51160 93.78526 38.36343 67.81593 23.08067 25.96932       44.77131 
1 1 1 8   -9  22 o 179.7702 14.21574 800.5065       121.1849 669.5545       208.3616 867.4476       148.9730 156.0795 28.99003 185.8423 16.95346 -29.76280      33.58335 
1 1 1 8   -9  23 o 138.7526 20.73290 501.7144       133.3221 506.7555       219.2281 498.7558       167.9486 130.5733 34.57700 134.6593 27.02777 -4.085999      43.88700 
1 1 1 8   -9  24 o 237.5748 14.09903 1406.516       159.4191 1068.364       286.8569 1557.625       191.7586 191.1825 32.54920 248.4269 16.23430 -57.24442      36.37311 
1 1 1 8   -9  25 o 36.93299 17.36797 -71.42958      78.54137 145.2108       379.7313 -81.11173      80.27728 91.86423 41.31195 36.58343 17.31112 55.28080       44.79232 
1 1 1 8   -9  26 f 209.2387 16.93687 1125.157       167.9803 1441.722       415.0614 1063.150       183.6966 200.9807 44.38378 201.2767 19.32694 -0.2960052     48.40920 
1 1 1 8   -9  27 o 48.89171 20.94432 16.66680       87.35596 -312.9804      244.1149 65.07921       93.55090 55.42321 27.16492 57.27991 22.79344 -1.856709      35.46088 
1 1 1 8   -9  28 o 81.77888 29.10065 206.0503       143.1270 622.9863       277.0341 54.24292       167.1648 125.2198 40.54327 64.80312 28.35790 60.41669       49.47653 
1 1 1 8   -8  0  f 80.46777 10.54373 158.5973       39.58761 158.5973       39.58761 0.000000       0.000000 80.46777 10.54373 ?        ?        0.000000       10.54373 
1 1 1 8   -8  1  o 271.2631 7.780841 1767.913       100.8037 1767.913       100.8037 0.000000       0.000000 271.2631 7.780841 ?        ?        0.000000       7.780841 
1 1 1 8   -8  2  o 196.9052 8.290149 932.9141       77.86729 932.9141       77.86729 0.000000       0.000000 196.9052 8.290149 ?        ?        0.000000       8.290149 
1 1 1 8   -8  3  o 189.0923 8.770944 861.1643       79.07584 861.1643       79.07584 0.000000       0.000000 189.0923 8.770944 ?        ?        0.000000       8.770944 
1 1 1 8   -8  4  o 92.33260 12.61688 209.7586       54.23956 209.7586       54.23956 0.000000       0.000000 92.33260 12.61688 ?        ?        0.000000       12.61688 
1 1 1 8   -8  5  o 176.1815 9.176592 748.4243       77.02835 748.4243       77.02835 0.000000       0.000000 176.1815 9.176592 ?        ?        0.000000       9.176592 
1 1 1 8   -8  6  o 148.2146 7.124335 528.2357       50.33501 534.8495       69.41585 520.9020       73.09552 148.7514 9.815745 146.6741 10.49319 2.077286       14.36857 
1 1 1 8   -8  7  o 343.0187 8.900769 2830.629       145.8433 3316.412       315.2373 2698.335       164.5079 367.7865 17.98258 334.5404 10.29787 33.24603       20.72243 
1 1 1 8   -8  8  f 246.0949 8.473373 1457.026       99.54490 1707.724       189.1120 1360.940       117.0774 264.7039 15.00488 237.4581 10.33759 27.24582       18.22120 
1 1 1 8   -8  9  o 210.3301 8.566090 1064.988       85.95728 1174.933       157.3321 1018.207       102.6280 219.3629 15.09389 205.2876 10.49150 14.07530       18.38198 
1 1 1 8   -8  10 o 233.4701 8.467763 1311.743       94.36008 1445.546       166.3739 1248.294       114.5689 243.6194 14.34803 227.3198 10.57090 16.29964       17.82161 
1 1 1 8   -8  11 o 76.83883 15.67398 148.8279       55.62666 142.2972       141.8499 150.0147       60.47029 79.97626 28.90858 76.92975 16.90391 3.046509       33.48803 
1 1 1 8   -8  12 o 207.2743 9.439362 1036.431       93.29429 1294.347       180.4052 942.2756       109.0011 229.6315 16.54360 197.1458 11.61620 32.48570       20.21452 
1 1 1 8   -8  13 o 328.7486 9.647952 2605.433       151.4737 2829.836       306.7985 2533.100       174.1841 338.5774 19.02998 323.6507 11.27424 14.92673       22.11897 
1 1 1 8   -8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -8  15 o 161.9371 12.97173 640.2391       99.58832 468.2580       194.3107 701.5090       115.9791 131.8908 31.29043 169.1326 14.48238 -37.24184      34.47942 
1 1 1 8   -8  16 o 87.23778 21.53502 197.0208       89.26759 315.0057       196.9643 166.5212       100.1431 108.3897 34.08817 80.58376 24.11905 27.80593       41.75802 
1 1 1 8   -8  17 o 124.7840 15.50724 386.3117       90.52264 343.6017       220.6994 394.9502       99.25594 112.5119 36.16582 125.7616 16.93850 -13.24970      39.93594 
1 1 1 8   -8  18 o 120.3455 17.99792 364.2990       100.3770 213.3521       149.9790 486.7708       135.0941 91.15635 29.85317 138.3246 21.09461 -47.16830      36.55399 
1 1 1 8   -8  19 o 70.68417 24.10885 119.4771       97.67248 173.5086       146.8804 76.64361       130.7772 84.49097 29.53031 68.21452 27.01230 16.27646       40.02129 
1 1 1 8   -8  20 o 137.1046 16.88853 469.4405       108.3643 449.7872       171.4722 482.5087       139.8254 129.4793 28.47636 137.0481 22.09143 -7.568787      36.04073 
1 1 1 8   -8  21 o 42.51252 19.80629 -81.03169      98.23759 85.45930       175.9812 -156.3992      118.4031 75.37594 30.80654 42.22753 20.26758 33.14841       36.87571 
1 1 1 8   -8  22 o 104.9425 19.42958 283.9077       93.89242 657.0601       328.6317 250.7403       97.97636 145.2415 43.74273 97.75957 21.54473 47.48190       48.76066 
1 1 1 8   -8  23 f 136.0360 17.20635 467.3511       109.4063 668.9976       349.4039 445.4314       115.1994 143.8456 45.42371 132.1096 18.76664 11.73604       49.14774 
1 1 1 8   -8  24 o 105.9295 25.18741 304.1136       125.6816 457.1997       222.2595 232.1528       152.3843 124.4711 35.57279 92.24675 30.08419 32.22434       46.58843 
1 1 1 8   -8  25 o 109.8060 19.63677 314.7892       99.30275 284.6783       226.2447 321.9742       110.5172 99.97192 36.45509 110.0888 21.76964 -10.11687      42.46046 
1 1 1 8   -8  26 o 81.53310 31.82949 162.6754       179.3434 -11.80144      404.8258 205.2801       200.0450 87.31551 40.51851 87.85219 33.80150 -0.5366745     52.76638 
1 1 1 8   -8  27 o 145.3929 21.58711 567.2770       145.5051 536.2607       277.0807 579.0872       170.9776 123.9536 40.57584 143.7015 25.83658 -19.74789      48.10330 
1 1 1 8   -8  28 o 93.29668 33.07257 269.5282       184.7054 468.7845       266.4799 85.28225       256.2462 114.6137 39.79342 78.29803 34.65298 36.31569       52.76690 
1 1 1 8   -8  29 o 183.3927 28.35489 1005.332       240.5976 1144.410       470.9816 956.2229       279.8708 148.0484 52.77769 169.0797 35.74218 -21.03128      63.74157 
1 1 1 8   -8  30 f 78.87635 25.20578 186.1318       107.3176 178.6134       248.6989 187.8521       118.9636 80.48062 34.91175 78.76074 26.61014 1.719879       43.89680 
1 1 1 8   -7  0  o 173.6452 8.291616 725.2765       68.63629 725.2765       68.63629 0.000000       0.000000 173.6452 8.291616 ?        ?        0.000000       8.291616 
1 1 1 8   -7  1  o 311.1899 7.332850 2322.026       109.0954 2322.026       109.0954 0.000000       0.000000 311.1899 7.332850 ?        ?        0.000000       7.332850 
1 1 1 8   -7  2  o 370.4530 7.389028 3290.795       130.8666 3290.795       130.8666 0.000000       0.000000 370.4530 7.389028 ?        ?        0.000000       7.389028 
1 1 1 8   -7  3  o 408.3138 7.404823 3997.941       144.5497 3997.941       144.5497 0.000000       0.000000 408.3138 7.404823 ?        ?        0.000000       7.404823 
1 1 1 8   -7  4  o 417.9759 7.424206 4189.618       148.3575 4189.618       148.3575 0.000000       0.000000 417.9759 7.424206 ?        ?        0.000000       7.424206 
1 1 1 8   -7  5  o 43.17313 12.54659 45.85782       27.43267 -9.716748      43.42086 82.77695       35.39045 32.97295 14.44027 57.42485 13.17152 -24.45191      19.54508 
1 1 1 8   -7  6  o 170.1889 8.241282 696.8325       66.85618 665.3207       108.8983 715.8943       84.69682 165.3012 13.90850 172.1948 10.33576 -6.893631      17.32842 
1 1 1 8   -7  7  o 198.2357 7.945106 944.5711       75.14659 998.3509       126.6936 915.3817       93.33798 202.8649 13.13348 194.8198 10.05516 8.045059       16.54069 
1 1 1 8   -7  8  o 80.53518 10.48098 158.7074       39.39843 200.8443       70.47350 139.5507       47.51770 89.40125 17.11131 74.80428 13.79492 14.59697       21.97946 
1 1 1 8   -7  9  o 107.6492 10.70523 281.8057       54.36602 251.4110       118.4031 289.9257       61.19865 98.65734 25.05878 108.9822 11.94095 -10.32486      27.75839 
1 1 1 8   -7  10 o 271.2711 8.070076 1768.461       104.5458 1996.589       175.7410 1643.511       130.0627 287.1134 12.83543 261.0320 10.44307 26.08139       16.54708 
1 1 1 8   -7  11 o 354.8604 8.159066 3024.243       138.4224 2938.355       222.2709 3078.657       176.9182 348.1751 13.37782 357.3825 10.36549 -9.207458      16.92364 
1 1 1 8   -7  12 o 371.6954 14.57955 3357.836       258.5810 3359.144       372.6927 3356.622       359.0655 368.3906 21.25108 368.7176 20.44917 -0.3269958     29.49198 
1 1 1 8   -7  13 o 252.8546 9.410652 1540.346       113.5639 1596.658       217.0658 1519.124       133.2560 254.8735 17.92825 250.7111 11.14530 4.162445       21.11018 
1 1 1 8   -7  14 o 254.7823 10.13574 1566.269       123.2156 1352.928       208.8799 1680.122       152.5917 234.0742 18.82389 263.3672 12.15159 -29.29300      22.40535 
1 1 1 8   -7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -7  16 o 332.7004 10.25359 2671.220       162.8991 2083.798       270.3033 3006.244       204.1334 290.1187 19.60309 352.3067 12.13763 -62.18796      23.05653 
1 1 1 8   -7  17 o 82.90605 17.38704 174.5606       66.71153 276.4022       135.6039 142.0423       76.62547 102.4389 27.22534 74.55771 20.74236 27.88123       34.22667 
1 1 1 8   -7  18 o 64.39935 19.48500 103.7026       65.10027 55.74406       138.0718 117.4118       73.82085 66.92562 27.31225 68.38242 20.76143 -1.456795      34.30738 
1 1 1 8   -7  19 o 96.43513 17.10595 234.7820       75.97839 590.0478       166.0190 140.6615       85.45222 151.5648 23.68604 74.35998 22.28529 77.20478       32.52172 
1 1 1 8   -7  20 o 51.53719 19.88686 45.52993       69.38837 237.2667       173.6671 9.106775       75.69264 95.99195 32.14966 46.75461 19.74144 49.23734       37.72698 
1 1 1 8   -7  21 o 136.5395 19.81496 471.6069       125.5737 545.1602       312.6833 457.4628       137.1169 136.8644 42.93683 133.5121 22.26502 3.352341       48.36633 
1 1 1 8   -7  22 o 426.3739 12.44093 4422.137       253.3303 4100.547       494.7351 4536.423       294.9288 399.0664 26.07379 430.6312 14.34531 -31.56482      29.75954 
1 1 1 8   -7  23 o 42.76687 20.05178 -94.30294      103.3540 135.9114       194.7386 -184.5768      121.9458 83.20008 32.95747 41.37148 20.03257 41.82861       38.56811 
1 1 1 8   -7  24 o 195.8620 22.09319 986.7474       203.2735 1283.956       381.5065 868.9210       240.2107 209.0527 39.62113 179.2604 29.01969 29.79233       49.11187 
1 1 1 8   -7  25 o 151.1043 19.59108 584.0119       138.2001 569.8476       253.2774 590.0170       164.9136 138.2874 37.41109 149.6446 23.85082 -11.35716      44.36724 
1 1 1 8   -7  26 o 137.1031 27.99247 517.4808       177.2703 480.8150       253.9014 552.3529       247.6131 125.3946 38.58764 135.3572 37.14504 -9.962639      53.56080 
1 1 1 8   -7  27 o 83.80202 29.36841 188.6208       145.3348 204.0550       413.7217 186.4481       155.2278 100.3095 44.22917 83.91756 30.25330 16.39198       53.58621 
1 1 1 8   -7  28 o 191.7449 18.33203 949.9367       166.0079 1096.546       290.1859 878.6146       202.3989 191.7686 32.83112 179.5901 24.18751 12.17850       40.77890 
1 1 1 8   -7  29 o 120.7067 31.84977 448.7132       186.4356 311.1060       278.7109 560.1487       250.8102 98.64024 39.31279 128.6834 38.08597 -30.04312      54.73606 
1 1 1 8   -7  30 o 148.5816 32.68954 698.4321       225.8928 785.6208       439.4156 667.1138       263.3567 126.6911 49.71523 137.3707 38.54118 -10.67959      62.90491 
1 1 1 8   -7  31 o 72.46214 26.75236 149.1589       122.4370 60.78470       213.3933 192.5298       149.4918 69.75275 31.19922 79.55364 29.52584 -9.800888      42.95540 
1 1 1 8   -6  0  o 114.6689 8.726340 317.2250       47.48019 317.2250       47.48019 0.000000       0.000000 114.6689 8.726340 ?        ?        0.000000       8.726340 
1 1 1 8   -6  1  o 296.3021 7.315584 2103.816       103.6316 2103.816       103.6316 0.000000       0.000000 296.3021 7.315584 ?        ?        0.000000       7.315584 
1 1 1 8   -6  2  o 128.5834 8.422837 398.1877       51.49369 398.1877       51.49369 0.000000       0.000000 128.5834 8.422837 ?        ?        0.000000       8.422837 
1 1 1 8   -6  3  o 281.2598 7.420262 1897.085       99.69095 1897.085       99.69095 0.000000       0.000000 281.2598 7.420262 ?        ?        0.000000       7.420262 
1 1 1 8   -6  4  o 388.0786 7.308033 3609.038       135.5903 3609.038       135.5903 0.000000       0.000000 388.0786 7.308033 ?        ?        0.000000       7.308033 
1 1 1 8   -6  5  o 143.9315 6.822001 497.4069       46.80996 531.9992       64.49337 458.8962       68.04813 148.6137 9.121054 137.8154 10.40471 10.79831       13.83660 
1 1 1 8   -6  6  o 170.1787 7.716816 695.7001       62.62102 863.1551       104.4596 601.7632       78.23788 189.0571 11.61308 157.9096 10.42161 31.14751       15.60365 
1 1 1 8   -6  7  o 203.3016 7.836186 992.4911       76.02210 1010.619       125.5309 981.9918       95.53326 204.3689 12.91380 201.9458 9.925307 2.423080       16.28736 
1 1 1 8   -6  8  o 309.0830 7.558503 2290.417       111.6913 2374.598       173.8726 2231.276       145.7366 313.8725 11.60696 304.5632 10.02247 9.309265       15.33530 
1 1 1 8   -6  9  o 138.4527 9.149621 462.2913       60.22423 400.0078       106.0091 491.9721       73.18035 127.0663 17.94966 142.6058 10.81430 -15.53949      20.95566 
1 1 1 8   -6  10 o 108.8743 11.09823 288.2409       56.96111 439.5446       135.5746 255.8071       62.77006 132.0871 22.25942 102.1255 13.16184 29.96162       25.85954 
1 1 1 8   -6  11 o 240.5989 10.48242 1395.534       120.2874 1609.517       178.5336 1217.649       162.7798 257.4445 14.56475 223.6157 15.31867 33.82883       21.13749 
1 1 1 8   -6  12 o 231.7884 9.345102 1293.488       103.3458 1311.008       191.3631 1286.274       122.7921 231.3428 17.43010 230.7905 11.16178 0.5522766      20.69768 
1 1 1 8   -6  13 o 290.9456 9.564062 2038.022       132.8532 2222.848       260.1789 1972.834       154.5155 301.1302 18.15648 285.8381 11.32934 15.29205       21.40121 
1 1 1 8   -6  14 o 96.04348 17.04193 231.2446       75.38629 245.7770       130.2117 223.9177       92.45750 97.41320 27.01623 93.58067 21.16322 3.832527       34.31849 
1 1 1 8   -6  15 o 60.94313 21.34385 82.49337       76.75559 191.7051       118.6615 3.924323       100.6470 86.86758 26.31152 52.87249 22.56104 33.99508       34.65973 
1 1 1 8   -6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -6  17 o 229.8683 14.64151 1289.043       160.0701 1368.206       285.7300 1252.836       193.2403 231.8901 26.23316 225.4191 18.08230 6.471008       31.86139 
1 1 1 8   -6  18 o 222.9084 14.05533 1211.285       149.0249 1027.009       232.1962 1340.358       194.3296 201.1129 24.66524 233.2947 17.55182 -32.18181      30.27277 
1 1 1 8   -6  19 o 63.61092 23.47815 83.12865       94.28985 157.9769       167.4175 48.35789       114.1083 84.66930 31.27861 61.63805 24.94910 23.03124       40.01011 
1 1 1 8   -6  20 o 65.81097 28.28630 9.815461       160.3283 -193.0312      289.0793 99.93052       192.6779 72.99125 33.99604 80.35862 32.45824 -7.367371      47.00285 
1 1 1 8   -6  21 o 121.2788 24.28391 382.8413       135.8882 257.2192       191.5607 510.0877       192.7951 99.79015 33.76685 137.9281 30.08592 -38.13795      45.22569 
1 1 1 8   -6  22 o 136.2602 17.63987 464.2776       112.2200 328.7944       218.8669 512.5986       130.7088 110.3734 36.05821 142.5408 19.70705 -32.16735      41.09212 
1 1 1 8   -6  23 o 231.6219 16.59665 1324.773       182.5662 1430.842       371.9976 1291.120       209.5360 228.9817 35.09780 227.2946 19.46976 1.687164       40.13636 
1 1 1 8   -6  24 o 178.5118 15.62505 788.1251       132.0081 951.0409       245.9620 722.2111       156.4499 189.8116 27.93921 169.1659 19.71332 20.64571       34.19378 
1 1 1 8   -6  25 o 137.9750 24.11992 500.1393       153.3158 673.6072       237.6744 376.5168       200.6420 155.1299 33.05820 115.2961 34.04938 39.83379       47.45740 
1 1 1 8   -6  26 o 322.7022 14.28939 2565.249       219.9103 2642.857       431.5225 2538.023       255.5899 313.4771 29.12633 319.1815 16.80859 -5.704376      33.62843 
1 1 1 8   -6  27 o 147.0790 18.98652 552.5193       130.3956 676.4854       257.7469 509.8777       151.1676 151.6172 36.08234 138.8646 23.61439 12.75266       43.12279 
1 1 1 8   -6  28 o 91.10056 27.51108 229.8903       129.8649 556.9501       398.5506 191.0404       137.3615 126.7028 47.96135 84.36439 28.59334 42.33841       55.83789 
1 1 1 8   -6  29 o 278.8930 15.49157 1957.016       205.7461 1971.012       328.4802 1947.979       263.9342 268.2825 25.93284 273.3969 20.33836 -5.114380      32.95696 
1 1 1 8   -6  30 o 82.90821 30.96114 189.6357       164.8677 -25.27561      237.7529 388.7012       228.8200 69.79697 31.89887 108.6074 36.90343 -38.81041      48.77911 
1 1 1 8   -6  31 o 94.90852 31.92944 282.6298       171.2807 415.4186       246.7825 159.2118       237.9156 108.5455 38.25107 82.09170 34.84587 26.45382       51.74340 
1 1 1 8   -6  32 o 65.61265 28.33769 66.77110       162.4197 23.65353       211.4552 128.8143       253.6520 67.24799 30.47915 78.03481 34.50965 -10.78683      46.04231 
1 1 1 8   -5  0  o 269.1842 7.176576 1736.574       92.27574 1736.574       92.27574 0.000000       0.000000 269.1842 7.176576 ?        ?        0.000000       7.176576 
1 1 1 8   -5  1  o 190.8625 7.402688 873.8145       67.42085 873.8145       67.42085 0.000000       0.000000 190.8625 7.402688 ?        ?        0.000000       7.402688 
1 1 1 8   -5  2  o 275.4582 7.188638 1818.378       94.58872 1818.378       94.58872 0.000000       0.000000 275.4582 7.188638 ?        ?        0.000000       7.188638 
1 1 1 8   -5  3  o 315.9340 7.133494 2390.366       107.7475 2390.366       107.7475 0.000000       0.000000 315.9340 7.133494 ?        ?        0.000000       7.133494 
1 1 1 8   -5  4  o 458.4940 7.256466 5034.765       159.0623 5034.765       159.0623 0.000000       0.000000 458.4940 7.256466 ?        ?        0.000000       7.256466 
1 1 1 8   -5  5  o 166.6694 7.698697 666.9140       61.17960 718.1187       103.4733 639.3921       75.85993 172.3549 12.64532 162.9664 9.781594 9.388504       15.98699 
1 1 1 8   -5  6  o 328.5428 7.155960 2585.351       112.4005 2799.495       170.0406 2419.166       149.7940 341.3430 10.43189 317.3722 9.884325 23.97086       14.37095 
1 1 1 8   -5  7  o 143.7950 8.396282 497.3454       57.47058 594.7488       108.3710 459.2344       67.78775 156.3928 14.66508 137.9247 10.35580 18.46808       17.95291 
1 1 1 8   -5  8  o 156.9389 8.904959 592.5976       66.54037 487.0142       123.7765 635.5135       78.91319 140.4854 18.90854 162.3794 10.21686 -21.89403      21.49226 
1 1 1 8   -5  9  o 257.1373 8.071896 1586.624       99.10844 1683.047       167.9017 1535.063       122.7804 263.9829 13.34696 252.6320 10.18647 11.35088       16.79004 
1 1 1 8   -5  10 o 256.1362 8.348324 1574.995       102.0935 1778.088       177.8528 1475.183       124.6819 271.2033 13.76193 247.5570 10.55889 23.64636       17.34592 
1 1 1 8   -5  11 o 170.6852 11.05593 703.4749       89.73398 873.4893       167.1102 634.5902       106.3705 188.6490 18.77757 161.5878 13.90414 27.06126       23.36498 
1 1 1 8   -5  12 o 172.0184 10.75605 714.3579       88.01508 811.0677       173.4079 680.7981       102.1512 181.1744 20.37264 167.5568 12.84990 13.61760       24.08661 
1 1 1 8   -5  13 o 86.10717 16.43234 185.6976       65.17957 304.6974       102.4237 104.7082       84.49708 110.0147 20.21821 66.99712 22.42510 43.01758       30.19373 
1 1 1 8   -5  14 o 212.8069 10.08226 1091.604       102.2857 1252.857       181.0010 1015.946       123.9805 226.4074 16.84240 204.7719 12.72702 21.63553       21.11027 
1 1 1 8   -5  15 o 248.1321 10.31402 1484.408       122.0875 1678.292       229.1398 1407.548       144.2713 261.5009 18.44654 241.1135 12.55884 20.38734       22.31590 
1 1 1 8   -5  16 o 554.0191 20.19588 7550.657       534.0335 7576.690       761.7348 7525.494       748.9036 546.5895 29.25630 545.1808 28.83528 1.408691       41.07803 
1 1 1 8   -5  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -5  18 o 268.4535 14.67470 1754.892       187.6254 1739.076       322.0434 1763.018       230.8519 262.1902 26.03507 267.7924 18.13832 -5.602295      31.73048 
1 1 1 8   -5  19 o 75.52322 23.11739 143.0954       91.27854 486.5758       190.8356 41.20287       103.9393 135.5909 30.21220 58.68996 23.79123 76.90093       38.45516 
1 1 1 8   -5  20 o 205.8985 15.48011 1038.612       151.2668 889.1576       234.3156 1145.406       198.0705 185.7643 27.18826 214.7998 19.49985 -29.03551      33.45811 
1 1 1 8   -5  21 o 184.8448 15.17000 838.4339       132.8820 547.1636       228.3398 987.5909       163.4012 141.7084 34.11554 199.9825 17.25923 -58.27411      38.23285 
1 1 1 8   -5  22 o 101.8675 27.70361 274.8820       138.4571 596.8630       202.1811 -9.474782      190.0016 150.0450 29.23581 69.21217 30.26138 80.83284       42.07711 
1 1 1 8   -5  23 o 193.8207 17.01775 929.9456       156.0932 808.4131       353.5458 959.3718       173.9671 165.7542 43.91761 196.1658 18.77863 -30.41165      47.76393 
1 1 1 8   -5  24 o 137.6744 24.32136 491.4442       154.2319 646.3922       227.2455 359.1131       210.0068 154.5952 31.80784 114.4722 35.06957 40.12303       47.34568 
1 1 1 8   -5  25 o 152.4155 26.93376 611.9514       189.0851 421.1917       356.4066 686.6756       223.0658 123.1944 45.61435 159.8206 30.30248 -36.62617      54.76230 
1 1 1 8   -5  26 o 82.46198 25.85466 177.1750       113.3929 304.7682       202.9858 119.2963       136.7135 105.2199 34.74402 74.52657 28.11718 30.69336       44.69589 
1 1 1 8   -5  27 o 126.2389 24.33721 422.5809       141.5587 352.8738       353.8893 435.8591       154.4538 113.5223 44.59509 127.2997 26.25060 -13.77740      51.74762 
1 1 1 8   -5  28 o 59.14071 24.76737 33.38652       117.6132 -34.12499      215.1226 62.17006       140.4653 69.37841 31.15578 66.69032 27.41943 2.688095       41.50310 
1 1 1 8   -5  29 o 146.1866 23.27185 566.2415       157.2000 327.4202       375.3917 617.0276       173.1095 109.0239 44.82462 151.8244 24.69708 -42.80051      51.17805 
1 1 1 8   -5  30 f 55.18990 24.24055 -2.156701      123.1620 259.5320       224.2515 -115.1847      147.3791 95.18677 35.98880 50.61124 23.79745 44.57553       43.14525 
1 1 1 8   -5  31 o 55.73166 25.14273 -27.79889      141.9341 50.44892       396.9740 -39.26782      151.9803 87.33116 40.38530 56.57051 25.71852 30.76065       47.87917 
1 1 1 8   -5  32 o 59.01705 25.04573 42.03166       122.8640 -217.7536      208.8087 179.6051       151.9528 54.66366 26.40680 80.06625 29.75807 -25.40259      39.78519 
1 1 1 8   -5  33 o 60.18642 26.67582 21.90454       152.3887 441.8887       576.3044 -9.668365      158.0130 99.06226 46.72672 58.26107 26.38262 40.80119       53.66031 
1 1 1 8   -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -4  2  o 805.2892 8.120268 15531.87       312.6299 15531.87       312.6299 0.000000       0.000000 805.2892 8.120268 ?        ?        0.000000       8.120268 
1 1 1 8   -4  3  f 491.9327 7.295565 5793.895       171.5825 5793.895       171.5825 0.000000       0.000000 491.9327 7.295565 ?        ?        0.000000       7.295565 
1 1 1 8   -4  4  o 700.4869 8.040371 11751.98       269.2679 11751.98       269.2679 0.000000       0.000000 700.4869 8.040371 ?        ?        0.000000       8.040371 
1 1 1 8   -4  5  o 261.9873 7.172752 1644.504       89.75642 1752.278       138.3401 1566.154       117.9530 270.0667 10.73582 255.4219 9.676730 14.64485       14.45326 
1 1 1 8   -4  6  o 146.5132 8.125546 515.7485       56.69352 488.5319       96.49521 530.0958       70.06080 141.7854 14.43642 148.3605 9.934792 -6.575104      17.52456 
1 1 1 8   -4  7  o 265.0615 7.627037 1683.951       96.55151 1535.277       148.8606 1791.914       126.8534 252.5177 12.36809 273.2100 9.727267 -20.69228      15.73498 
1 1 1 8   -4  8  o 91.47210 10.10263 203.1060       43.44536 106.4943       74.72697 252.4360       53.39718 66.65389 21.00123 101.9552 11.13554 -35.30128      23.77082 
1 1 1 8   -4  9  o 67.47027 15.16976 113.9980       47.74081 101.0912       109.0469 117.0585       53.10009 70.11018 25.34599 68.30423 16.45656 1.805954       30.21982 
1 1 1 8   -4  10 f 177.4097 9.243340 756.8115       78.12935 687.0460       133.2152 793.3909       96.46114 167.8294 16.82950 181.4178 11.17576 -13.58841      20.20222 
1 1 1 8   -4  11 o 291.4448 10.87915 2042.939       151.3202 2009.948       194.0168 2094.173       241.7785 288.4767 14.11042 293.7255 17.29393 -5.248810      22.32004 
1 1 1 8   -4  12 o 470.6154 9.807441 5316.342       220.6633 5017.292       542.7386 5375.565       241.5269 451.3090 25.25482 473.0475 10.67954 -21.73856      27.42003 
1 1 1 8   -4  13 o 205.6997 12.28063 1022.098       120.2212 1077.410       211.9257 995.8522       145.9837 209.0302 21.51319 202.4715 15.19184 6.558746       26.33647 
1 1 1 8   -4  14 o 297.7448 10.25092 2132.845       145.7025 2253.470       282.1625 2088.986       170.1415 303.5411 19.54737 294.2884 12.11878 9.252686       22.99923 
1 1 1 8   -4  15 o 532.1719 13.18856 6834.442       335.5504 6798.644       384.2315 6949.474       688.7632 529.7532 15.18656 527.8192 27.38826 1.934082       31.31690 
1 1 1 8   -4  16 o 318.2652 14.02047 2454.302       212.8105 2480.904       321.3149 2433.515       284.0395 317.2306 21.30954 315.1782 18.93747 2.052429       28.50832 
1 1 1 8   -4  17 o 93.06422 29.83068 216.7543       150.2270 186.6668       292.0307 227.5816       175.1842 101.7971 40.34801 96.24850 32.29047 5.548637       51.67820 
1 1 1 8   -4  18 o 471.3890 11.89404 5366.558       267.8367 5050.692       569.9369 5456.087       303.4297 448.1414 26.72268 474.6635 13.38436 -26.52213      29.88717 
1 1 1 8   -4  19 o 213.7076 16.27593 1118.426       165.0423 795.4081       328.5537 1227.444       190.8718 169.5338 40.99126 223.3472 18.02836 -53.81339      44.78064 
1 1 1 8   -4  20 o 195.5738 17.20286 941.2272       159.2119 1135.387       232.1682 768.8624       218.7498 212.5883 23.22023 172.8046 27.39035 39.78371       35.90836 
1 1 1 8   -4  21 o 217.8199 16.45600 1164.690       170.1007 753.6437       325.5253 1319.084       199.5050 163.7146 41.53197 231.2273 18.19351 -67.51268      45.34212 
1 1 1 8   -4  22 o 347.6830 12.89971 2934.171       214.0514 2784.030       365.7914 3012.356       263.9650 333.1336 23.11040 350.9825 15.77115 -17.84888      27.97891 
1 1 1 8   -4  23 o 266.9567 15.36336 1745.648       195.2529 1366.381       328.6814 1952.478       242.7224 227.7816 30.98455 281.0575 18.16090 -53.27589      35.91463 
1 1 1 8   -4  24 o 100.0220 22.89649 260.4328       107.1204 243.3716       190.5917 268.3109       129.5117 97.76797 33.66751 100.7238 26.53106 -2.955795      42.86489 
1 1 1 8   -4  25 o 99.49821 23.39586 258.7467       109.4084 66.61299       194.4296 347.7766       132.3513 76.78664 31.97724 115.1905 24.76932 -38.40383      40.44828 
1 1 1 8   -4  26 o 191.6240 15.66249 905.8455       142.2385 937.9800       233.8989 886.9883       179.1765 189.8075 26.49656 187.6674 20.29265 2.140121       33.37453 
1 1 1 8   -4  27 f 202.3604 15.56089 1012.536       149.3903 1083.521       245.3654 970.7214       188.3183 203.7633 25.76196 195.8036 20.41659 7.959641       32.87120 
1 1 1 8   -4  28 o 56.20991 23.78490 20.12235       110.2638 -8.226993      209.7902 30.94285       129.6097 71.04027 31.40190 61.38328 25.87088 9.656986       40.68639 
1 1 1 8   -4  29 f 150.9193 19.24834 581.9374       135.7259 309.1818       236.2829 716.2552       165.8105 104.7367 37.37729 166.4991 21.31861 -61.76241      43.02958 
1 1 1 8   -4  30 o 137.6923 23.83612 505.3590       151.2318 703.5237       403.5257 472.9771       163.1208 141.1248 48.96990 131.3357 26.88486 9.789063       55.86454 
1 1 1 8   -4  31 o 113.0047 25.52433 355.3475       134.6307 869.4728       268.2094 182.1716       155.6622 170.4248 34.10928 82.81496 30.23239 87.60979       45.57895 
1 1 1 8   -4  32 f 218.4416 18.76002 1241.678       194.0236 2207.552       460.8575 1033.600       213.9043 262.8154 37.76102 194.8868 23.42687 67.92860       44.43774 
1 1 1 8   -4  33 o 50.96018 23.33415 -46.56479      128.0188 275.2130       419.5847 -79.59416      134.4286 96.75094 43.47459 49.60392 23.12981 47.14702       49.24458 
1 1 1 8   -4  34 o 100.0546 29.69377 319.9468       152.2885 905.4575       738.3194 293.9295       155.6352 109.9052 52.15086 95.37080 30.34062 14.53437       60.33461 
1 1 1 8   -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -3  4  o 252.2804 10.05199 1527.866       120.9967 1527.866       120.9967 0.000000       0.000000 252.2804 10.05199 ?        ?        0.000000       10.05199 
1 1 1 8   -3  5  o 205.3494 6.985279 1010.485       68.47828 1131.896       105.6841 922.6234       89.90417 217.0629 10.21257 195.9832 9.624608 21.07971       14.03317 
1 1 1 8   -3  6  o 237.8373 7.289360 1355.402       82.78751 1438.484       128.2577 1296.064       108.3919 244.6649 10.99295 232.3442 9.779780 12.32065       14.71357 
1 1 1 8   -3  7  o 121.9259 8.713568 357.9115       50.45778 356.1919       89.07184 358.7241       61.22976 120.6442 15.82387 121.8549 10.61607 -1.210739      19.05507 
1 1 1 8   -3  8  o 197.3266 10.37053 936.1708       97.49172 0.000000       0.000000 936.1708       97.49172 ?        ?        197.3266 10.37053 0.000000       10.37053 
1 1 1 8   -3  9  o 768.9095 8.318073 14161.41       305.7781 14642.11       444.8830 13730.98       420.9776 781.0219 11.91446 756.4024 11.64120 24.61951       16.65748 
1 1 1 8   -3  10 o 119.8119 12.36429 348.3584       69.80745 433.8046       142.3985 321.3279       80.09158 131.7255 23.47218 114.5973 14.97656 17.12815       27.84314 
1 1 1 8   -3  11 o 176.4407 10.85686 749.8208       91.13877 808.2881       171.5801 726.8409       107.5684 181.6327 20.09464 173.4085 13.07119 8.224152       23.97187 
1 1 1 8   -3  12 o 370.0452 8.835459 3282.331       156.3120 3150.658       249.7995 3367.070       200.3938 361.4267 14.48584 374.3126 11.21066 -12.88593      18.31716 
1 1 1 8   -3  13 o 522.4489 12.08393 6561.628       301.8286 6486.756       337.4105 6861.504       675.2626 518.8936 13.61279 527.8287 26.84727 -8.935120      30.10123 
1 1 1 8   -3  14 o 274.4058 10.68238 1811.337       139.8748 1764.225       239.1953 1835.820       172.4299 269.0653 18.71117 275.8207 13.11364 -6.755402      22.84897 
1 1 1 8   -3  15 o 507.0243 18.31319 6248.048       443.1873 6456.703       631.2642 6045.243       622.3537 511.2581 25.91080 494.3386 26.42932 16.91949       37.01187 
1 1 1 8   -3  16 o 95.03585 19.89742 228.0820       87.50111 468.6724       210.3920 177.7637       96.21721 133.8482 33.07245 83.81368 23.21537 50.03454       40.40718 
1 1 1 8   -3  17 o 310.9634 12.14682 2333.995       180.2371 2239.425       295.7802 2389.851       227.3160 301.8645 20.61883 313.8204 15.19614 -11.95590      25.61365 
1 1 1 8   -3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -3  19 o 272.5480 13.61547 1801.841       176.8506 1973.008       274.6605 1680.618       231.1411 282.7119 20.45935 261.5466 18.60651 21.16537       27.65479 
1 1 1 8   -3  20 o 281.4706 14.73768 1927.667       197.6309 2155.838       320.6791 1787.931       250.9533 294.1155 22.98826 269.2181 19.63251 24.89740       30.23070 
1 1 1 8   -3  21 o 120.5013 20.17441 366.1730       112.1204 528.4814       183.9949 270.3047       141.4076 142.5264 28.00167 101.7730 28.12637 40.75340       39.68861 
1 1 1 8   -3  22 o 101.4959 23.27317 266.1628       110.5179 82.15012       181.3669 374.8475       139.3857 77.37868 31.40521 120.3037 25.04949 -42.92507      40.17168 
1 1 1 8   -3  23 o 267.0193 16.26861 1747.619       206.6977 1675.553       329.0341 1794.597       265.6592 255.7989 27.32789 268.4907 20.85959 -12.69176      34.37930 
1 1 1 8   -3  24 o 118.5675 27.39940 371.4361       152.1982 186.7648       196.7513 646.5917       240.1635 91.07832 33.85966 154.4238 33.49575 -63.34553      47.62817 
1 1 1 8   -3  25 o 286.7865 14.85690 2012.976       203.0076 1706.668       299.1202 2274.546       276.4144 258.8728 24.45855 302.5773 19.20718 -43.70450      31.09881 
1 1 1 8   -3  26 o 193.5021 23.09629 953.9604       209.4528 829.1036       358.9892 1018.400       257.8999 167.3596 44.21307 197.1996 28.15327 -29.84000      52.41567 
1 1 1 8   -3  27 o 229.6903 17.95356 1310.852       195.5869 1655.108       283.5569 998.4168       270.1342 254.9341 23.53042 193.7003 30.15113 61.23375       38.24620 
1 1 1 8   -3  28 o 230.7882 17.49101 1326.003       191.5539 2184.410       410.3408 1086.818       216.6032 285.8733 30.49383 206.2402 22.32304 79.63310       37.79143 
1 1 1 8   -3  29 o 164.5107 19.48516 688.1177       150.2800 325.9781       262.9156 863.8482       183.1479 108.2468 39.32452 183.5509 21.26358 -75.30415      44.70523 
1 1 1 8   -3  30 o 182.8389 18.40716 846.7281       158.7153 735.8690       277.0697 900.8724       193.6331 157.3116 37.39266 186.3753 22.16481 -29.06374      43.46827 
1 1 1 8   -3  31 o 206.5238 19.70716 1092.740       192.2253 864.7156       441.7806 1145.993       213.4947 153.3680 51.27534 210.1896 21.55035 -56.82164      55.61994 
1 1 1 8   -3  32 o 62.37140 26.24048 46.66249       132.9616 -95.12120      261.4683 96.11443       154.4179 69.78660 32.44538 71.20700 28.94946 -1.420403      43.48303 
1 1 1 8   -3  33 o 64.87092 30.21980 -85.87483      228.6003 -140.5356      708.8818 -79.53072      241.5023 94.85111 46.44857 66.86732 31.11989 27.98380       55.90990 
1 1 1 8   -3  34 o 86.09904 34.68343 212.9738       219.3516 536.1613       437.7171 104.5958       253.4761 110.8320 47.16318 78.64209 34.64977 32.18995       58.52326 
1 1 1 8   -3  35 f 60.69015 26.33550 44.96227       141.6142 649.9975       454.7696 -20.00710      149.0237 109.5846 47.37354 55.79894 25.40643 53.78564       53.75629 
1 1 1 8   -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -2  5  o 250.4995 6.869381 1502.874       82.19071 1544.651       119.0624 1464.842       113.6003 253.7087 9.834547 247.0769 9.635457 6.631760       13.76809 
1 1 1 8   -2  6  o 50.27613 12.87205 62.98519       31.06937 0.000000       0.000000 62.98519       31.06937 ?        ?        50.27613 12.87205 0.000000       12.87205 
1 1 1 8   -2  7  o 252.0386 10.07847 1524.795       121.1974 0.000000       0.000000 1524.795       121.1974 ?        ?        252.0386 10.07847 0.000000       10.07847 
1 1 1 8   -2  8  o 42.23288 16.43687 26.39396       47.70925 0.000000       0.000000 26.39396       47.70925 ?        ?        42.23288 16.43687 0.000000       16.43687 
1 1 1 8   -2  9  o 253.5359 10.92848 1544.255       132.1559 0.000000       0.000000 1544.255       132.1559 ?        ?        253.5359 10.92848 0.000000       10.92848 
1 1 1 8   -2  10 o 407.6914 10.86817 3988.785       211.6455 0.000000       0.000000 3988.785       211.6455 ?        ?        407.6914 10.86817 0.000000       10.86817 
1 1 1 8   -2  11 o 600.1143 10.64721 8636.514       305.4767 8837.892       852.6580 8606.860       327.1959 599.8497 29.82554 598.9377 11.42662 0.9119873      31.93948 
1 1 1 8   -2  12 o 240.2466 10.68771 1387.129       122.4509 1457.349       200.8029 1345.557       154.5023 245.2407 17.23629 236.1971 13.74142 9.043594       22.04351 
1 1 1 8   -2  13 o 522.5133 10.90203 6551.186       272.3410 6857.424       671.7189 6490.943       297.9263 529.0068 26.64518 519.8999 11.98618 9.106873       29.21701 
1 1 1 8   -2  14 o 113.6214 19.16508 320.8187       100.4068 317.3926       135.8989 324.9369       148.9964 111.7537 25.93690 112.8836 27.79582 -1.129898      38.01751 
1 1 1 8   -2  15 f 174.4138 13.33783 736.4257       110.3741 681.3110       171.9213 775.0703       143.9596 165.8342 22.24493 178.2573 17.10168 -12.42313      28.05894 
1 1 1 8   -2  16 o 273.4753 12.51493 1803.590       163.1932 1761.806       258.0345 1831.445       210.6798 268.3841 20.25963 274.7996 16.10670 -6.415527      25.88201 
1 1 1 8   -2  17 o 540.5943 11.88210 7033.036       307.0951 7313.893       724.9888 6971.625       339.0109 542.3862 28.05386 537.8121 13.18484 4.574097       30.99773 
1 1 1 8   -2  18 o 379.5566 22.29185 3545.705       402.7308 0.000000       0.000000 3545.705       402.7308 ?        ?        379.5566 22.29185 0.000000       22.29185 
1 1 1 8   -2  19 o 175.8624 16.77965 758.0302       139.3713 711.2388       214.3613 792.2939       183.4344 166.7701 27.86824 178.3038 21.98344 -11.53369      35.49522 
1 1 1 8   -2  20 o 158.7819 18.52456 623.7993       137.9846 574.5020       212.9928 659.4522       181.1347 148.0399 31.08513 161.4783 24.20793 -13.43840      39.39936 
1 1 1 8   -2  21 o 121.3287 25.33414 379.8267       142.2018 203.4247       245.9818 468.3715       174.2741 98.70296 37.60495 134.1312 28.07881 -35.42824      46.93136 
1 1 1 8   -2  22 o 77.90018 29.48527 119.7116       150.6219 497.4306       339.1929 26.93496       168.1054 134.9010 44.92543 69.49796 29.38598 65.40302       53.68268 
1 1 1 8   -2  23 o 167.0630 19.20035 694.4193       150.5703 812.1268       228.6622 604.3096       200.0681 177.2856 27.89904 152.1845 28.54621 25.10109       39.91544 
1 1 1 8   -2  24 o 299.8801 15.75967 2199.404       225.1521 2082.272       330.7353 2300.573       307.3731 287.3412 24.30313 303.9298 21.28821 -16.58859      32.30836 
1 1 1 8   -2  25 o 77.53848 28.18785 133.8530       135.1185 161.8131       210.9075 114.3881       175.9743 89.45982 34.63058 79.90234 31.42911 9.557480       46.76608 
1 1 1 8   -2  26 o 151.7982 24.86079 596.0764       174.1821 564.1164       370.2597 605.1594       197.3878 138.6556 46.94497 151.3659 28.31686 -12.71033      54.82404 
1 1 1 8   -2  27 o 329.4472 16.23420 2669.766       254.9091 2917.883       378.4539 2463.727       344.8735 339.3409 23.47215 311.8336 23.30129 27.50726       33.07403 
1 1 1 8   -2  28 o 214.9146 20.75797 1163.675       210.6330 1340.131       277.4924 923.7950       323.5420 227.6197 25.96329 180.3522 38.68332 47.26750       46.58853 
1 1 1 8   -2  29 o 99.45154 32.04865 267.1585       173.2357 -177.5881      401.6969 368.7736       192.0089 85.97253 40.05300 114.9036 33.13444 -28.93104      51.98205 
1 1 1 8   -2  30 o 101.6128 29.97473 285.3448       155.5664 656.6417       253.6523 61.47738       196.9580 150.5262 35.77619 75.13506 31.79060 75.39109       47.85998 
1 1 1 8   -2  31 o 258.3987 17.49562 1677.227       214.8621 1600.376       330.6768 1733.380       282.6629 242.4631 29.10785 258.1336 23.14980 -15.67047      37.19113 
1 1 1 8   -2  32 o 158.8214 36.22667 756.5305       268.9630 1014.467       449.0341 612.2089       335.8834 165.8856 51.36316 134.7666 44.70054 31.11902       68.09047 
1 1 1 8   -2  33 o 79.53545 30.30298 160.0729       159.7312 106.5971       274.5157 187.4455       196.4025 83.50715 36.44563 85.19906 33.29493 -1.691910      49.36432 
1 1 1 8   -2  34 f 140.6724 24.08287 549.4475       156.1459 283.4249       230.6030 774.6867       212.1914 95.17799 36.37430 163.6316 28.13814 -68.45362      45.98744 
1 1 1 8   -2  35 o 106.2919 38.41271 409.9774       250.4361 430.0871       377.4491 394.1623       334.7274 103.6040 43.93021 101.7279 42.12508 1.876091       60.86367 
1 1 1 8   -2  36 o 77.59299 29.76192 182.3027       154.7568 88.45779       236.5526 252.5224       204.6218 72.86735 32.70081 86.28530 33.90573 -13.41795      47.10564 
1 1 1 8   -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  5  o 228.9357 6.878868 1255.379       75.20488 1286.923       106.8638 1224.427       105.8549 231.5731 9.673679 225.8560 9.826784 5.717117       13.78933 
1 1 1 8   -1  6  o 107.6242 9.075295 279.3787       46.26121 221.8842       70.03872 323.8741       61.61441 94.77873 16.02757 115.6822 11.28384 -20.90344      19.60123 
1 1 1 8   -1  7  o 245.9108 7.539962 1448.860       88.54044 1457.616       128.0535 1440.838       122.5574 246.3482 10.89959 244.9667 10.48892 1.381516       15.12675 
1 1 1 8   -1  8  o 421.1134 7.637436 4245.099       153.7641 4051.359       221.1483 4426.417       213.9414 410.8988 11.26810 429.7532 10.41279 -18.85443      15.34263 
1 1 1 8   -1  9  o 302.6863 9.273091 2196.784       134.0334 1992.542       252.5824 2276.840       158.1349 286.9221 18.51206 307.9975 10.75571 -21.07541      21.40985 
1 1 1 8   -1  10 o 384.9438 14.78952 3566.872       271.6760 3513.436       386.3002 3619.165       382.1490 380.6307 21.31331 386.4728 20.75879 -5.842072      29.75205 
1 1 1 8   -1  11 o 644.7767 8.429851 9956.288       259.8589 9766.810       375.7558 10129.98       359.7578 637.9449 12.32010 649.8459 11.57954 -11.90106      16.90771 
1 1 1 8   -1  12 o 440.4979 11.23579 4657.206       236.4292 4657.764       271.1219 4655.433       483.0664 440.2424 12.89534 437.5541 23.17492 2.688263       26.52106 
1 1 1 8   -1  13 o 635.2088 11.32373 9680.336       343.8858 9940.405       953.9741 9641.494       368.6724 635.2447 31.50974 633.7553 12.16776 1.489380       33.77748 
1 1 1 8   -1  14 f 220.3054 12.43004 1169.264       130.3889 1112.746       191.4803 1218.130       178.0473 213.7894 18.92937 224.1842 16.73269 -10.39476      25.26468 
1 1 1 8   -1  15 o 696.9424 24.33021 11852.43       809.4396 11702.50       1146.788 12001.29       1142.664 685.0109 35.13424 694.2033 34.53739 -9.192383      49.26709 
1 1 1 8   -1  16 o 201.2866 14.68784 981.3505       140.3724 1114.623       255.6849 923.8502       167.9460 211.8953 25.76833 194.5619 18.26899 17.33339       31.58738 
1 1 1 8   -1  17 o 390.9086 15.40336 3694.527       287.3082 4074.174       415.3961 3346.354       397.8049 408.4475 21.34655 369.5773 22.62259 38.87021       31.10397 
1 1 1 8   -1  18 o 191.7489 15.74923 894.8094       143.1065 1000.445       215.8029 811.8945       191.1911 200.9489 22.86920 180.8571 22.60397 20.09180       32.15494 
1 1 1 8   -1  19 o 339.3231 14.96699 2789.565       242.2068 3158.582       370.9914 2515.437       319.7553 358.5175 21.74664 320.1020 21.01012 38.41553       30.23808 
1 1 1 8   -1  20 o 191.6496 26.37508 928.2643       235.2611 928.2643       235.2611 0.000000       0.000000 191.6496 26.37508 ?        ?        0.000000       26.37508 
1 1 1 8   -1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   -1  27 o 70.72579 30.95184 -7.680760      199.1762 0.000000       0.000000 -7.680760      199.1762 ?        ?        70.72579 30.95184 0.000000       30.95184 
1 1 1 8   -1  28 o 207.3875 22.62661 1092.714       220.7073 1103.537       282.9183 1075.886       352.7688 204.1584 29.86951 195.0468 39.19197 9.111618       49.27674 
1 1 1 8   -1  29 o 147.5119 29.06625 582.8369       197.6927 885.8352       427.2987 500.3160       222.9942 167.4620 49.74914 133.7662 34.60818 33.69576       60.60283 
1 1 1 8   -1  30 o 168.8641 26.44351 754.6296       206.4826 1457.688       439.2477 555.2000       233.9422 220.4085 43.22958 139.3903 35.12445 81.01819       55.70031 
1 1 1 8   -1  31 o 104.7394 35.67144 309.0961       213.8132 88.49805       270.6022 675.6931       348.8389 85.80038 36.81100 144.5864 45.35020 -58.78606      58.40967 
1 1 1 8   -1  32 o 141.2399 27.70337 547.1174       180.3811 510.8726       286.6505 570.8788       232.0953 127.4690 41.23845 139.3026 34.92029 -11.83363      54.03736 
1 1 1 8   -1  33 o 129.6447 33.68223 501.3470       210.6306 1271.540       484.5030 321.8629       233.8890 183.5706 52.54015 103.8880 37.17467 79.68265       64.36166 
1 1 1 8   -1  34 o 125.7611 32.23228 482.1374       194.6717 333.6785       238.7704 776.4818       336.2057 102.2252 37.42331 145.7427 44.31871 -43.51759      58.00562 
1 1 1 8   -1  35 o 117.1599 29.27729 413.4721       163.5166 581.4407       241.1154 270.4390       222.4996 131.4140 36.88065 92.99023 35.68154 38.42379       51.31622 
1 1 1 8   -1  36 o 216.8295 22.77872 1311.869       232.6108 1373.966       422.4348 1284.848       278.6622 179.3382 48.22825 205.8230 29.13214 -26.48488      56.34400 
1 1 1 8   -1  37 o 83.53606 33.83545 237.1639       210.0310 118.1293       250.7068 517.3523       384.6401 74.81750 33.61324 100.7054 43.55156 -25.88791      55.01444 
1 1 1 8   0   0  o 177.7566 6.743881 757.1964       57.20786 0.000000       0.000000 757.1964       57.20786 ?        ?        177.7566 6.743881 0.000000       6.743881 
1 1 1 8   0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0   4  o 77.05173 10.95886 145.1460       39.23283 0.000000       0.000000 145.1460       39.23283 ?        ?        77.05173 10.95886 0.000000       10.95886 
1 1 1 8   0   5  o 605.1927 7.545367 8766.688       218.3144 8571.999       307.6452 8964.182       309.8530 598.0297 10.76017 611.5815 10.59725 -13.55188      15.10241 
1 1 1 8   0   6  o 222.4493 7.037465 1185.405       74.74960 1186.008       103.8116 1184.755       107.7205 222.2846 9.792541 222.1310 10.17032 0.1536713      14.11840 
1 1 1 8   0   7  o 166.9918 7.162642 668.6121       57.05135 618.3817       78.21107 725.7350       83.40472 160.3195 10.25789 173.7481 10.08399 -13.42860      14.38441 
1 1 1 8   0   8  o 437.7772 9.467534 4590.751       198.1519 4610.718       218.7375 4499.397       467.8754 438.6311 10.43075 430.6852 22.80408 7.945984       25.07642 
1 1 1 8   0   9  o 320.4422 9.082158 2461.295       138.9981 2429.609       275.8251 2472.080       160.9256 317.0549 18.27405 320.9971 10.50027 -3.942200      21.07597 
1 1 1 8   0   10 o 100.5195 11.28412 245.2892       53.29308 197.3680       76.73804 289.9341       74.06842 88.86057 18.65818 108.8992 14.59359 -20.03860      23.68756 
1 1 1 8   0   11 o 273.7166 8.013212 1795.295       104.7486 1897.579       150.4952 1699.179       145.8861 281.0913 11.22123 265.9340 11.50164 15.15726       16.06872 
1 1 1 8   0   12 o 433.5880 16.01476 4529.198       331.4050 4644.453       469.5269 4414.773       467.8326 437.4290 22.52734 426.2982 23.04016 11.13086       32.22313 
1 1 1 8   0   13 o 152.2088 11.39440 558.7786       82.31451 633.7942       124.9957 501.3343       109.3812 161.4427 16.42290 143.4254 16.23700 18.01727       23.09441 
1 1 1 8   0   14 o 384.7243 10.73323 3552.206       197.2258 3488.738       228.2604 3739.166       391.7674 380.9922 12.54871 392.5797 20.94920 -11.58749      24.42006 
1 1 1 8   0   15 o 189.6324 11.11042 865.6738       100.2870 925.6636       145.9627 812.0318       138.0244 195.4477 15.75416 182.9467 15.93956 12.50101       22.41123 
1 1 1 8   0   16 o 353.7245 10.48033 3004.175       177.0392 2905.922       336.6955 3041.720       208.1345 345.7474 20.46050 355.6427 12.25947 -9.895294      23.85218 
1 1 1 8   0   17 o 90.20494 15.38397 201.5374       63.96691 299.4259       99.86003 133.4219       83.30072 109.5232 19.79975 73.60348 21.98994 35.91975       29.59033 
1 1 1 8   0   18 o 462.4519 13.32402 5153.977       294.2776 5361.534       357.9360 4721.059       516.9393 470.8679 15.92294 438.2280 24.77442 32.63983       29.45016 
1 1 1 8   0   19 o 513.0934 12.81051 6341.220       314.2470 7243.536       689.1827 6104.379       353.0886 540.9652 26.73030 502.6065 14.71007 38.35867       30.51057 
1 1 1 8   0   20 o 285.0148 14.41409 1967.712       195.7721 1943.011       287.5885 1989.044       267.2555 280.9441 21.57645 284.9360 19.74078 -3.991943      29.24451 
1 1 1 8   0   21 o 277.5583 14.63604 1869.733       193.5301 1965.340       284.3300 1787.205       264.1668 282.2853 21.22355 269.3339 20.67339 12.95139       29.62817 
1 1 1 8   0   22 o 80.35048 25.63908 159.1556       111.0709 210.7066       179.2684 127.0366       141.5033 94.03309 32.63908 78.01718 28.76762 16.01591       43.50730 
1 1 1 8   0   23 o 77.99678 25.96197 146.4909       113.2788 82.00343       184.0138 185.8418       143.7440 78.04778 31.64938 87.32087 29.24915 -9.273087      43.09519 
1 1 1 8   0   24 o 91.39038 29.25028 210.8001       144.4782 -161.0915      220.9095 488.7691       190.9872 64.39175 29.89816 136.1109 30.14503 -71.71917      42.45731 
1 1 1 8   0   25 o 53.48671 24.52689 -87.47968      142.1369 124.7284       219.1712 -241.5127      186.7280 86.87190 34.78141 53.23686 25.52542 33.63504       43.14272 
1 1 1 8   0   26 o 310.8763 17.23528 2375.710       255.1592 2236.587       356.1436 2522.437       365.7473 296.9237 25.32998 316.0827 24.39172 -19.15897      35.16481 
1 1 1 8   0   27 o 141.9678 25.01819 522.5246       163.6045 474.9382       252.1380 557.1298       215.0145 130.2177 38.09293 143.4466 32.14974 -13.22885      49.84654 
1 1 1 8   0   28 o 157.5884 28.79632 658.6425       208.9628 515.9343       260.6753 915.2257       349.5341 134.7278 38.53117 177.7298 41.83535 -43.00200      56.87572 
1 1 1 8   0   29 o 300.7450 17.09293 2234.488       244.7549 2371.191       362.6385 2120.117       331.6987 304.2287 25.15716 288.2284 24.29730 16.00027       34.97487 
1 1 1 8   0   30 o 72.74314 30.99752 37.92210       189.5331 -35.96249      438.9315 54.85571       210.1331 96.67541 43.85490 77.28879 32.77522 19.38662       54.74913 
1 1 1 8   0   31 o 136.8152 29.24156 513.3614       185.4673 602.8884       281.4385 444.6358       246.5844 141.4517 39.89754 122.8532 38.06617 18.59849       55.14388 
1 1 1 8   0   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0   34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0   35 o 109.5681 34.64270 387.6584       203.1714 387.6584       203.1714 0.000000       0.000000 109.5681 34.64270 ?        ?        0.000000       34.64270 
1 1 1 8   0   36 f 116.5311 27.48546 403.4257       150.6274 50.22549       208.5403 788.6883       217.8000 70.38557 31.20057 162.6170 29.08220 -92.23142      42.65266 
1 1 1 8   0   37 o 45.66293 22.03723 -155.6288      144.5574 -198.9925      202.0362 -110.1427      206.9215 52.93163 25.66681 57.92446 27.52104 -4.992828      37.63234 
1 1 1 8   1   0  o 827.8940 8.224302 16411.27       325.5234 16115.23       458.8700 16711.18       461.8638 819.7015 11.70915 834.7527 11.57305 -15.05115      16.46328 
1 1 1 8   1   1  o 443.0208 7.122389 4697.550       150.8545 0.000000       0.000000 4697.550       150.8545 ?        ?        443.0208 7.122389 0.000000       7.122389 
1 1 1 8   1   2  o 414.6136 7.098560 4114.452       140.7091 0.000000       0.000000 4114.452       140.7091 ?        ?        414.6136 7.098560 0.000000       7.098560 
1 1 1 8   1   3  o 406.2747 7.138250 3950.674       138.6500 0.000000       0.000000 3950.674       138.6500 ?        ?        406.2747 7.138250 0.000000       7.138250 
1 1 1 8   1   4  o 372.1066 7.205299 3314.151       128.1822 0.000000       0.000000 3314.151       128.1822 ?        ?        372.1066 7.205299 0.000000       7.205299 
1 1 1 8   1   5  o 375.0654 7.134424 3366.915       127.9305 3448.505       178.8162 3281.367       183.1022 379.2399 9.870832 369.8708 10.36486 9.369110       14.31306 
1 1 1 8   1   6  o 339.0954 7.138764 2752.013       115.7320 2830.167       161.3381 2669.172       166.1054 343.5497 9.833002 333.5612 10.42879 9.988495       14.33344 
1 1 1 8   1   7  o 627.0734 7.826421 9413.073       234.6335 9840.328       329.5484 8973.822       334.1429 640.7428 10.75789 611.7774 11.42432 28.96539       15.69227 
1 1 1 8   1   8  f 290.0877 8.955181 2017.194       124.0485 1955.286       231.2163 2042.216       146.9948 284.5467 17.07493 291.7256 10.55688 -7.178894      20.07488 
1 1 1 8   1   9  o 179.7603 8.282841 775.2862       70.99252 786.5570       97.53124 762.5851       103.5347 180.7776 11.34188 177.8883 12.24868 2.889267       16.69336 
1 1 1 8   1   10 o 438.8093 9.558189 4612.611       200.5210 4718.058       223.0248 4167.781       458.0729 443.6985 10.51373 414.3542 23.21640 29.34427       25.48607 
1 1 1 8   1   11 o 445.9396 16.45511 4790.470       350.2191 5134.560       494.8338 4445.125       495.7366 460.1682 22.56110 427.5748 24.35173 32.59341       33.19654 
1 1 1 8   1   12 o 427.0513 10.35543 4370.881       211.4252 4617.121       466.9585 4307.385       237.1229 436.2632 22.46396 423.6232 11.71933 12.64005       25.33717 
1 1 1 8   1   13 o 43.64328 20.05810 -70.71491      95.79359 0.000000       0.000000 -70.71491      95.79359 ?        ?        43.64328 20.05810 0.000000       20.05810 
1 1 1 8   1   14 o 302.2893 9.915065 2192.315       143.0997 2293.783       263.0074 2149.645       170.5544 307.9648 17.94086 299.0830 11.95194 8.881744       21.55744 
1 1 1 8   1   15 o 438.8325 16.36999 4643.780       342.8417 4783.262       484.8413 4504.285       484.8615 443.5406 22.94227 430.1437 23.66862 13.39685       32.96287 
1 1 1 8   1   16 o 303.1283 13.01898 2211.512       188.2341 2371.208       267.0413 2053.805       265.3731 312.9719 17.92191 290.9261 19.18657 22.04581       26.25489 
1 1 1 8   1   17 o 268.6372 11.63878 1735.901       149.1250 1905.151       245.6327 1637.106       187.6680 280.1758 18.44031 260.2960 15.14588 19.87982       23.86300 
1 1 1 8   1   18 o 254.9751 14.49574 1571.132       175.9760 1658.297       252.2181 1488.449       245.6474 260.6186 20.40499 246.6658 21.03066 13.95280       29.30277 
1 1 1 8   1   19 o 340.1661 14.72313 2796.434       238.8746 3296.228       346.4092 2343.311       329.8390 367.8098 19.77229 309.0521 22.47713 58.75772       29.93601 
1 1 1 8   1   20 o 100.6570 23.21648 257.9300       109.4462 449.9416       173.3553 130.6722       141.1287 132.3744 28.25274 79.08087 28.79911 53.29350       40.34360 
1 1 1 8   1   21 o 235.6032 15.71265 1350.254       175.9745 1982.291       315.0648 1063.686       212.1499 282.9025 23.50674 207.2790 21.73082 75.62349       32.01242 
1 1 1 8   1   22 o 265.8926 15.71575 1721.115       198.8879 1938.932       324.0895 1589.528       251.8993 278.7644 24.56868 253.7032 20.95460 25.06117       32.29110 
1 1 1 8   1   23 o 127.9731 25.77871 422.0286       152.2616 630.4286       191.7077 65.94286       250.5925 156.8568 26.50746 86.00413 36.09372 70.85270       44.78171 
1 1 1 8   1   24 o 86.74158 26.12406 191.4609       117.2141 232.4590       183.9664 163.4432       152.0798 97.13405 33.08804 84.44844 30.00252 12.68561       44.66508 
1 1 1 8   1   25 f 167.1857 17.54704 690.8040       138.1652 557.0251       212.6329 788.5635       181.7676 144.7978 31.60498 177.2033 21.92245 -32.40553      38.46387 
1 1 1 8   1   26 o 108.6714 24.54033 307.0049       124.4729 171.5617       195.8341 398.8124       161.2311 89.46660 33.67412 123.0212 28.03928 -33.55465      43.81949 
1 1 1 8   1   27 o 170.8488 17.84429 724.8074       143.6072 700.8149       224.3090 741.4720       186.9419 162.7614 29.92871 170.5505 23.55515 -7.789139      38.08639 
1 1 1 8   1   28 o 313.1586 15.36919 2404.128       229.4008 2752.672       340.5934 2114.726       310.3546 331.1888 21.62892 289.4890 22.60330 41.69983       31.28449 
1 1 1 8   1   29 o 170.6644 18.55881 728.6998       148.9907 531.4290       233.0973 864.9657       193.7312 137.9185 35.22912 184.3035 22.44916 -46.38503      41.77386 
1 1 1 8   1   30 o 77.43391 32.97859 47.58877       214.3309 -463.6802      358.2791 332.5291       267.4691 70.54956 34.20272 111.3663 39.76482 -40.81673      52.45061 
1 1 1 8   1   31 o 136.5366 26.34675 496.3078       165.7521 -76.82160      374.8801 635.5776       184.7968 87.72466 40.07816 155.2295 25.80643 -67.50481      47.66793 
1 1 1 8   1   32 o 181.3084 23.43314 857.8868       198.3762 962.9991       263.7141 720.8806       301.0764 187.1228 30.52969 153.6856 40.43777 33.43721       50.66829 
1 1 1 8   1   33 o 74.31891 28.56609 120.2537       142.7764 -133.3646      244.4951 251.4969       175.8807 67.02786 31.23402 95.29507 32.35440 -28.26721      44.97078 
1 1 1 8   1   34 o 34.69841 17.65896 -591.7315      160.3678 -741.1564      177.7662 61.48659       371.6780 ?        ?        90.32524 40.72362 0.000000       40.72362 
1 1 1 8   1   35 o 55.98080 25.30733 -32.41400      144.6684 -98.29041      186.7126 66.54211       228.8390 58.39488 27.23899 75.70035 33.15155 -17.30547      42.90674 
1 1 1 8   1   36 o 72.92030 33.03194 23.02935       247.9500 -107.0877      321.4664 214.1239       389.5764 72.95145 34.55614 92.78291 41.77436 -19.83146      54.21461 
1 1 1 8   1   37 o 100.4571 30.23070 323.5496       157.0075 368.0321       206.9286 263.1934       241.0386 102.3878 35.08702 89.18553 36.20200 13.20227       50.41512 
1 1 1 8   1   38 o 57.41603 26.90710 -56.36443      185.7187 -90.55952      208.7865 73.23846       406.4695 58.30955 27.68694 78.84746 37.76639 -20.53791      46.82806 
1 1 1 8   2   0  o 429.1003 7.042055 4407.190       144.4663 4303.294       203.2512 4513.271       205.3778 423.7284 10.03315 433.9583 9.899134 -10.22992      14.09457 
1 1 1 8   2   1  o 125.8529 6.942059 380.2656       41.60776 0.000000       0.000000 380.2656       41.60776 ?        ?        125.8529 6.942059 0.000000       6.942059 
1 1 1 8   2   2  f 660.3027 7.712661 10439.53       243.4757 0.000000       0.000000 10439.53       243.4757 ?        ?        660.3027 7.712661 0.000000       7.712661 
1 1 1 8   2   3  o 137.2562 6.877924 452.0628       44.98955 0.000000       0.000000 452.0628       44.98955 ?        ?        137.2562 6.877924 0.000000       6.877924 
1 1 1 8   2   4  o 263.7497 6.773625 1666.083       85.34180 0.000000       0.000000 1666.083       85.34180 ?        ?        263.7497 6.773625 0.000000       6.773625 
1 1 1 8   2   5  o 428.6897 7.241518 4399.228       148.4161 4434.958       207.2215 4361.594       212.6687 430.1436 10.07657 426.5297 10.42908 3.613953       14.50183 
1 1 1 8   2   6  o 384.7012 7.228191 3542.516       132.9418 3568.480       185.2823 3514.966       190.8578 385.7352 10.05558 382.7811 10.43895 2.954071       14.49435 
1 1 1 8   2   7  o 378.5786 14.04721 3447.388       253.8053 3214.629       357.7727 3683.197       360.1085 364.2377 20.62971 390.2607 19.36102 -26.02298      28.29194 
1 1 1 8   2   8  o 118.4166 9.287454 337.9396       52.15923 320.8416       68.84502 360.9784       79.91531 114.9352 12.74269 121.8159 13.97476 -6.880653      18.91217 
1 1 1 8   2   9  o 295.6938 7.585634 2094.223       107.1479 2110.404       147.3636 2076.074       156.0712 296.5766 10.40923 294.0742 11.12092 2.502441       15.23243 
1 1 1 8   2   10 o 554.1059 19.46333 7411.824       514.8056 7241.611       727.2534 7582.780       728.8394 544.8577 28.01268 557.8102 27.41380 -12.95251      39.19473 
1 1 1 8   2   11 o 383.4142 14.66837 3536.622       268.3841 3679.792       379.0224 3392.648       380.0847 389.9640 20.40070 374.1826 21.33496 15.78140       29.51896 
1 1 1 8   2   12 o 179.8695 10.47291 777.9868       89.67073 865.1963       126.2143 689.1011       127.4215 189.2940 14.04653 168.5335 16.00612 20.76051       21.29556 
1 1 1 8   2   13 o 569.5197 10.73108 7775.202       292.1867 7505.768       751.5807 7823.173       317.1331 554.2238 28.46027 571.1370 11.61429 -16.91327      30.73888 
1 1 1 8   2   14 o 401.2690 15.29540 3877.237       292.8929 4003.358       413.2245 3749.902       415.2090 406.3662 21.34448 393.0341 22.18683 13.33212       30.78704 
1 1 1 8   2   15 o 338.8267 10.80427 2755.553       174.7938 2790.274       313.4668 2739.886       210.5697 339.4305 19.39743 337.5417 13.07320 1.888763       23.39165 
1 1 1 8   2   16 o 296.2590 11.26762 2108.568       159.3015 2237.199       261.2148 2032.401       201.0067 304.0142 18.05326 290.3692 14.52556 13.64499       23.17136 
1 1 1 8   2   17 o 339.1929 11.59796 2764.650       187.8008 3000.191       327.9177 2649.687       229.0924 351.7066 19.57913 331.5701 14.48693 20.13651       24.35597 
1 1 1 8   2   18 o 75.24002 27.49881 114.1117       128.8403 60.14522       148.2711 280.4841       260.3365 70.85583 28.52511 111.2562 39.28036 -40.40034      48.54512 
1 1 1 8   2   19 o 179.4263 23.59241 798.7401       197.4810 491.4615       273.7981 1131.923       285.1055 137.4003 39.55032 212.4600 28.81023 -75.05969      48.93115 
1 1 1 8   2   20 o 279.9705 15.32316 1898.674       204.3195 1766.678       273.7788 2064.607       306.9630 268.3082 21.52350 289.9036 22.31917 -21.59540      31.00655 
1 1 1 8   2   21 o 286.6216 15.27824 1992.169       208.6020 2104.532       308.3813 1897.383       283.2357 292.3376 22.23125 277.7655 21.49571 14.57202       30.92400 
1 1 1 8   2   22 o 80.33622 25.81886 157.4449       112.4842 166.5246       168.3449 150.1216       151.1879 87.14900 31.49401 82.90398 29.86102 4.245018       43.39992 
1 1 1 8   2   23 o 226.9928 15.01634 1254.761       162.0453 1067.145       235.6763 1422.991       223.1683 206.1150 24.38845 240.2951 19.59580 -34.18011      31.28565 
1 1 1 8   2   24 o 199.8120 17.77158 982.7972       167.9986 804.0864       217.2250 1248.779       265.0089 177.4472 26.40902 222.3150 25.38812 -44.86772      36.63323 
1 1 1 8   2   25 o 204.3528 17.52669 1028.104       169.5814 1202.662       315.6954 957.3062       201.0508 214.5938 31.72614 195.5635 21.87800 19.03035       38.53823 
1 1 1 8   2   26 o 193.2295 18.27580 923.9111       166.8271 784.8209       328.7798 972.1396       193.6017 167.0954 41.37605 197.2702 20.84241 -30.17479      46.32907 
1 1 1 8   2   27 o 78.42728 32.43262 72.17442       198.0478 545.8522       319.5320 -223.3038      252.3688 138.6088 43.39302 65.96502 31.05536 72.64376       53.36094 
1 1 1 8   2   28 o 203.5732 18.70680 1031.312       180.0318 778.0940       346.2239 1125.151       210.7670 163.1848 43.56321 211.5915 21.11684 -48.40674      48.41151 
1 1 1 8   2   29 o 78.41276 29.20110 133.8572       146.4559 454.5580       342.0154 61.84676       162.0666 126.6605 44.99363 71.32542 29.40189 55.33511       53.74847 
1 1 1 8   2   30 o 153.1874 31.63334 637.7673       223.9972 929.1600       365.9511 463.1839       283.2599 177.1052 43.53295 127.0308 40.98509 50.07442       59.79043 
1 1 1 8   2   31 o 85.09438 29.99018 178.4621       151.7030 -501.0861      372.2084 313.8349       166.1276 70.74621 34.42729 107.1375 30.79758 -36.39128      46.19231 
1 1 1 8   2   32 o 172.1117 22.59203 767.9395       181.4136 1320.592       398.6165 623.5700       203.7356 209.9547 41.18395 150.9575 29.28636 58.99715       50.53522 
1 1 1 8   2   33 o 178.1033 23.88602 835.5225       198.2644 697.4014       261.4204 1022.537       304.1914 153.5918 36.19772 188.0328 35.12947 -34.44099      50.44160 
1 1 1 8   2   34 o 103.3195 28.63535 300.8535       146.3401 728.4471       242.4319 55.73463       183.5534 158.5786 33.05014 71.62713 30.51273 86.95148       44.98153 
1 1 1 8   2   35 o 156.8663 26.75297 686.8260       193.4453 669.8488       262.3262 707.0626       286.4025 144.6665 37.59103 146.1842 39.88104 -1.517715      54.80495 
1 1 1 8   2   36 o 117.6639 27.39167 405.2343       151.1949 -0.1468488E-03 258.5742 615.7673       186.3769 72.85616 33.28534 145.5174 27.80315 -72.66127      43.36968 
1 1 1 8   2   37 o 41.98701 20.62740 -234.9711      143.3493 -493.2491      251.6115 -110.8495      174.4257 50.59482 25.27416 54.28385 25.63592 -3.689026      35.99977 
1 1 1 8   2   38 o 72.60837 30.34225 136.3449       175.9500 -257.6223      456.1041 205.2240       190.7118 72.62875 35.89219 80.53320 32.37544 -7.904449      48.33652 
1 1 1 8   3   0  f 338.0244 6.836539 2734.871       110.4823 2558.513       155.3155 2915.518       157.1925 326.5563 9.959929 348.6785 9.438391 -22.12219      13.72164 
1 1 1 8   3   1  o 281.0922 5.597064 1890.468       75.21725 1902.364       129.2182 1884.371       92.50436 281.5641 9.613368 280.5728 6.896176 0.9913330      11.83106 
1 1 1 8   3   2  o 134.0285 6.860149 431.1326       43.81187 0.000000       0.000000 431.1326       43.81187 ?        ?        134.0285 6.860149 0.000000       6.860149 
1 1 1 8   3   3  o 487.3200 7.283628 5685.890       169.6955 0.000000       0.000000 5685.890       169.6955 ?        ?        487.3200 7.283628 0.000000       7.283628 
1 1 1 8   3   4  o 475.2157 7.289451 5406.874       165.6128 0.000000       0.000000 5406.874       165.6128 ?        ?        475.2157 7.289451 0.000000       7.289451 
1 1 1 8   3   5  o 231.8185 7.075699 1287.675       78.32800 1261.085       108.0692 1317.102       113.6895 229.1496 9.887753 234.1608 10.17974 -5.011200      14.19136 
1 1 1 8   3   6  o 123.6605 8.127914 367.7880       47.78637 372.3635       62.32045 361.2591       74.44469 124.1675 10.59945 121.9718 12.96471 2.195671       16.74611 
1 1 1 8   3   7  o 378.6164 9.122253 3434.240       165.1239 3413.731       184.6647 3516.053       368.8240 377.2379 10.24856 380.9237 20.32582 -3.685883      22.76339 
1 1 1 8   3   8  o 573.3420 10.09942 7877.785       276.8334 7871.548       296.4391 7920.307       774.0732 573.0079 10.82098 569.2189 28.53524 3.789001       30.51809 
1 1 1 8   3   9  o 405.6132 7.572882 3938.171       146.8526 4053.658       203.0988 3811.641       212.5879 411.1465 10.34064 398.5703 11.16744 12.57620       15.21974 
1 1 1 8   3   10 o 457.6944 10.14877 5019.462       222.0739 5059.231       514.1450 5010.341       246.2268 456.5363 23.63650 457.1529 11.26589 -0.6166077     26.18405 
1 1 1 8   3   11 o 220.5768 10.86930 1168.986       114.2694 1225.120       159.3219 1109.519       163.9816 225.3365 14.87204 214.2114 16.13045 11.12505       21.94013 
1 1 1 8   3   12 o 484.6618 7.975528 5623.354       184.8020 5691.244       255.5643 5548.950       267.5461 487.2589 10.97064 481.0458 11.63332 6.213104       15.99028 
1 1 1 8   3   13 o 298.9877 10.31337 2144.851       147.2013 2275.553       258.9533 2082.454       178.9203 306.8877 17.72496 294.3118 12.74602 12.57593       21.83198 
1 1 1 8   3   14 o 647.1932 10.80162 10041.45       334.2190 10207.69       358.3270 8929.211       926.8437 652.4056 11.48824 602.6685 32.28551 49.73712       34.26855 
1 1 1 8   3   15 o 325.8607 13.47503 2554.427       209.4750 2785.442       295.8345 2322.135       296.6518 339.4193 18.29838 309.4296 20.16269 29.98972       27.22802 
1 1 1 8   3   16 o 329.5051 9.267825 2603.496       145.8534 2820.586       199.0220 2351.638       214.3676 342.5998 12.17015 312.4461 14.38942 30.15372       18.84590 
1 1 1 8   3   17 o 242.7209 13.11005 1419.400       151.5672 1570.859       238.1247 1316.248       196.5155 254.1679 19.75128 232.9260 17.78138 21.24184       26.57613 
1 1 1 8   3   18 o 407.9103 23.26588 4058.713       451.8432 0.000000       0.000000 4058.713       451.8432 ?        ?        407.9103 23.26588 0.000000       23.26588 
1 1 1 8   3   19 o 235.4822 14.30270 1340.259       160.2624 1502.957       225.1877 1173.280       228.1314 248.3887 19.10968 218.5388 22.13988 29.84998       29.24644 
1 1 1 8   3   20 o 392.1177 16.06778 3721.348       300.5797 3769.603       424.4439 3672.800       425.7268 392.2561 22.73037 387.0111 23.11439 5.244995       32.41828 
1 1 1 8   3   21 o 246.9401 15.67074 1480.466       184.0532 1797.273       282.7859 1247.629       242.4304 270.2361 22.08032 224.5889 22.89824 45.64722       31.80990 
1 1 1 8   3   22 o 254.5225 14.90411 1572.382       180.5660 1728.648       250.7094 1403.962       260.2771 265.3801 19.90537 237.8798 23.17968 27.50031       30.55359 
1 1 1 8   3   23 f 188.0706 19.01628 872.5093       168.6372 927.9271       281.6462 841.5382       210.5512 188.8566 32.35692 182.7507 24.73277 6.105881       40.72689 
1 1 1 8   3   24 o 41.54825 19.86849 -146.7188      111.5096 -217.0759      154.2735 -69.74793      161.3619 47.80185 22.99257 59.35685 26.79049 -11.55500      35.30423 
1 1 1 8   3   25 o 442.7831 17.51227 4799.518       369.9852 5001.611       524.0518 4598.675       522.4283 446.9544 24.61974 427.6847 25.66834 19.26971       35.56677 
1 1 1 8   3   26 o 271.5765 14.73011 1798.005       190.5364 1897.249       275.9576 1707.589       263.3992 276.2462 21.05336 261.9225 21.21601 14.32367       29.88918 
1 1 1 8   3   27 o 267.7563 15.65158 1754.991       199.4842 1757.213       277.0799 1752.599       287.4314 264.8961 22.07927 264.0424 22.99868 0.8537598      31.88155 
1 1 1 8   3   28 o 170.4921 25.99639 751.6920       205.2039 531.3462       319.0072 907.2222       268.0128 136.1344 43.45260 184.5953 31.49810 -48.46086      53.66804 
1 1 1 8   3   29 o 159.4084 21.61521 645.8903       160.4920 775.8492       330.9519 605.9310       183.5145 163.0804 42.14555 152.2977 26.14533 10.78270       49.59663 
1 1 1 8   3   30 o 73.65611 28.53951 103.7926       143.3408 343.0508       340.4675 52.24749       158.0287 115.4381 44.17777 69.47938 28.87283 45.95877       52.77609 
1 1 1 8   3   31 o 112.6137 35.97515 352.2260       218.6268 606.6310       350.6772 190.4746       279.6204 141.2160 45.60586 97.25332 39.16549 43.96270       60.11514 
1 1 1 8   3   32 o 76.31853 29.81484 116.1018       157.4492 104.3191       362.2753 118.8457       174.8236 96.15088 41.91750 78.69947 31.21017 17.45141       52.26042 
1 1 1 8   3   33 o 95.85485 31.20785 253.6143       164.0159 595.4707       381.0562 175.8785       181.7095 133.7731 47.49507 85.60376 32.38898 48.16936       57.48763 
1 1 1 8   3   34 o 287.9036 19.13673 2109.762       261.9094 2340.392       415.9749 1958.282       337.1224 290.4483 30.40649 270.0589 26.44963 20.38940       40.30059 
1 1 1 8   3   35 o 76.50488 28.83165 142.9245       143.6604 399.1088       240.0652 0.2396912E-04  179.3108 112.3594 37.80087 65.19916 28.91492 47.16025       47.59179 
1 1 1 8   3   36 o 83.64743 29.91562 199.8692       151.4433 485.0527       250.9191 36.45528       189.9399 118.6661 38.59759 68.26241 30.03849 50.40370       48.90895 
1 1 1 8   3   37 o 75.31043 31.74727 122.1827       195.2416 116.3973       252.5555 130.7755       307.7927 78.99461 34.70362 83.31138 37.35130 -4.316765      50.98491 
1 1 1 8   3   38 o 39.41133 19.62000 -298.2565      146.1701 -411.5724      257.4597 -244.3588      177.5615 52.61507 26.16775 47.16983 23.12957 5.445236       34.92461 
1 1 1 8   4   0  o 192.4498 9.543241 889.7586       87.53157 846.3374       123.4614 933.6428       124.1179 187.1520 13.89757 196.7055 13.27581 -9.553497      19.21951 
1 1 1 8   4   1  o 79.88318 7.119413 153.9753       26.90531 143.4358       37.39111 165.2918       38.74469 76.63586 10.47957 82.43034 10.03818 -5.794479      14.51160 
1 1 1 8   4   2  o 132.5141 8.020463 422.1091       50.57451 0.000000       0.000000 422.1091       50.57451 ?        ?        132.5141 8.020463 0.000000       8.020463 
1 1 1 8   4   3  f 52.77567 8.319141 68.33846       20.29606 0.000000       0.000000 68.33846       20.29606 ?        ?        52.77567 8.319141 0.000000       8.319141 
1 1 1 8   4   4  o 84.92347 7.757595 174.1473       31.14911 0.000000       0.000000 174.1473       31.14911 ?        ?        84.92347 7.757595 0.000000       7.757595 
1 1 1 8   4   5  f 676.1387 6.463408 10941.85       208.9324 11437.06       362.3599 10695.23       255.7202 690.4606 10.97723 668.2535 8.004154 22.20703       13.58551 
1 1 1 8   4   6  o 54.95575 11.40155 75.14185       28.97335 95.77789       35.13155 31.26063       51.22989 62.09211 12.26981 44.40524 17.10013 17.68687       21.04667 
1 1 1 8   4   7  o 226.4858 10.66104 1232.684       115.1141 1293.775       161.8668 1170.169       163.7412 231.5059 14.70064 219.9712 15.67249 11.53468       21.48804 
1 1 1 8   4   8  o 80.88096 10.68931 159.5357       40.32278 198.4709       54.38665 112.0081       60.08885 90.00781 13.01625 67.08193 18.25350 22.92588       22.41903 
1 1 1 8   4   9  o 249.9709 7.894109 1497.416       94.22282 1677.685       127.2998 1278.998       140.1238 264.4041 10.08901 230.5076 12.76490 33.89659       16.27055 
1 1 1 8   4   10 o 466.5852 17.04873 5245.804       379.6650 5433.744       535.9584 5056.500       537.9016 473.1209 23.77081 456.0623 24.76296 17.05862       34.32573 
1 1 1 8   4   11 o 336.3127 13.35200 2718.967       214.2565 2694.719       301.2290 2743.795       304.8115 333.8608 18.95003 336.8863 19.00220 -3.025482      26.83631 
1 1 1 8   4   12 o 48.76343 18.29702 42.42405       57.72015 85.08129       70.55917 -43.86563      100.3544 61.21445 20.49232 47.73708 21.37054 13.47737       29.60803 
1 1 1 8   4   13 o 231.9637 9.774334 1291.398       108.1536 1247.575       134.9321 1370.146       180.8771 227.7003 12.44219 238.1696 15.97749 -10.46930      20.25064 
1 1 1 8   4   14 o 641.9261 10.93058 9879.016       335.4569 9889.435       358.1322 9804.468       957.9708 642.1347 11.66565 631.9308 31.81071 10.20392       33.88227 
1 1 1 8   4   15 o 451.3984 16.78267 4912.212       361.5536 5078.164       509.2793 4743.582       513.3734 457.1754 23.37810 441.4935 24.41717 15.68188       33.80434 
1 1 1 8   4   16 o 382.7872 11.38164 3517.831       208.0597 3917.810       401.6671 3371.156       243.2348 401.9531 20.97431 374.3642 13.61277 27.58890       25.00459 
1 1 1 8   4   17 o 49.14682 21.03887 -3.066795      88.03337 -49.05191      111.6604 72.46659       143.1067 50.22422 22.50869 71.66588 28.29527 -21.44166      36.15609 
1 1 1 8   4   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   4   19 o 397.6731 16.13853 3821.123       306.1931 3882.190       427.2733 3756.654       439.0102 398.8527 22.49828 391.9532 23.53625 6.899445       32.55960 
1 1 1 8   4   20 o 322.4449 14.74720 2512.492       226.7369 2536.917       317.4626 2487.059       323.9444 322.3351 20.71002 318.9236 21.36923 3.411530       29.75817 
1 1 1 8   4   21 o 196.3686 20.59865 949.5035       190.5084 1079.502       255.6947 787.2941       285.6218 207.7029 26.34120 173.6941 35.59250 34.00882       44.27962 
1 1 1 8   4   22 o 301.9144 14.60454 2208.353       210.1793 2424.305       294.9836 1985.670       299.5457 314.6824 19.70620 283.7355 22.26024 30.94687       29.72966 
1 1 1 8   4   23 o 129.9139 23.50222 428.3675       140.6010 268.4042       255.9683 497.4861       168.2571 107.4369 38.83356 139.3869 26.21081 -31.94997      46.85138 
1 1 1 8   4   24 o 38.57211 18.64629 -162.9336      104.5611 -250.5937      144.4153 -66.34874      151.5887 43.78120 21.33640 57.57841 25.97910 -13.79721      33.61779 
1 1 1 8   4   25 o 49.96166 23.40954 -130.4186      140.4685 -16.80806      256.0223 -179.3468      168.0150 79.85865 35.01640 52.95339 25.05334 26.90526       43.05598 
1 1 1 8   4   26 o 139.0239 20.61326 486.3757       132.8637 536.7669       185.7853 433.6258       190.0837 143.4176 28.10115 127.5387 31.38980 15.87886       42.13068 
1 1 1 8   4   27 o 118.4846 23.85887 362.6923       130.4711 196.8930       181.3585 540.5545       187.8401 91.37514 32.73051 143.4784 28.38936 -52.10323      43.32715 
1 1 1 8   4   28 o 133.6672 26.53034 467.8372       163.5575 546.1807       195.0306 282.1386       300.2656 143.4102 29.43273 109.1725 41.55866 34.23775       50.92551 
1 1 1 8   4   29 o 82.16628 27.81236 167.0129       129.9579 299.9333       189.2766 48.46460       178.7512 105.6835 33.43999 72.58144 30.47377 33.10208       45.24250 
1 1 1 8   4   30 o 90.92138 29.83465 213.9767       149.7615 451.5667       330.9884 152.8139       167.9353 125.6925 44.29844 83.17837 31.20969 42.51412       54.18852 
1 1 1 8   4   31 o 55.49348 25.25027 -68.80594      146.8849 -152.5536      335.0786 -48.88511      163.4233 80.18902 37.08991 60.51599 27.16722 19.67303       45.97521 
1 1 1 8   4   32 o 50.78537 23.94028 -140.8668      150.8587 292.1951       349.1866 -240.2465      167.2751 109.3232 43.85699 48.56783 23.50395 60.75539       49.75813 
1 1 1 8   4   33 o 150.2394 33.49013 646.3367       234.4078 847.3212       381.8318 524.7773       296.9513 159.8921 46.90570 129.6066 41.97635 30.28554       62.94567 
1 1 1 8   4   34 o 126.4614 28.82833 447.9698       170.4085 919.4715       385.0628 333.1375       190.0300 164.4888 46.76125 106.9867 33.45930 57.50214       57.49903 
1 1 1 8   4   35 o 70.48376 29.32626 76.24789       163.3182 244.8473       393.6866 41.20148       179.4917 101.6247 44.00485 69.10960 29.81860 32.51513       53.15615 
1 1 1 8   4   36 o 124.0081 48.06944 638.3215       406.7726 638.3215       406.7726 0.000000       0.000000 124.0081 48.06944 ?        ?        0.000000       48.06944 
1 1 1 8   4   37 o 105.3719 29.97514 344.1015       158.1754 -49.45507      251.7634 600.7543       203.3115 68.42565 31.82110 139.1542 31.31863 -70.72855      44.64795 
1 1 1 8   4   38 o 85.38810 30.56045 233.4265       158.0724 504.6501       258.3756 71.18441       199.8341 113.0699 39.18765 69.33583 30.64814 43.73409       49.74918 
1 1 1 8   4   39 o 69.61296 29.29443 126.0889       165.7771 510.0906       268.0068 -111.8866      210.9819 106.7949 39.55267 56.96527 27.26482 49.82964       48.03940 
1 1 1 8   5   0  o 210.7567 6.777983 1064.194       68.20640 971.2964       95.71383 1160.039       97.22066 201.0614 9.988483 219.8450 9.270634 -18.78366      13.62771 
1 1 1 8   5   1  o 41.83212 8.766485 43.49409       16.97062 37.15642       23.96324 49.87088       24.03710 39.20782 11.81283 44.73053 11.25192 -5.522709      16.31406 
1 1 1 8   5   2  o 170.5062 7.938771 697.7287       64.53689 0.000000       0.000000 697.7287       64.53689 ?        ?        170.5062 7.938771 0.000000       7.938771 
1 1 1 8   5   3  o 386.7651 9.012462 3584.378       166.6476 0.000000       0.000000 3584.378       166.6476 ?        ?        386.7651 9.012462 0.000000       9.012462 
1 1 1 8   5   4  o 610.2732 20.84682 9027.063       607.3436 0.000000       0.000000 9027.063       607.3436 ?        ?        610.2732 20.84682 0.000000       20.84682 
1 1 1 8   5   5  o 282.8368 7.477388 1916.700       101.0213 1901.976       224.1965 1920.451       113.1601 280.4409 16.79865 283.0309 8.371988 -2.589996      18.76925 
1 1 1 8   5   6  o 312.4038 7.238043 2336.397       108.1050 2308.754       150.5944 2365.786       155.2804 310.1643 10.16942 313.9527 10.35951 -3.788391      14.51677 
1 1 1 8   5   7  o 428.2323 15.72291 4418.410       321.3533 4316.729       453.7676 4520.715       455.1599 421.5053 22.60023 431.5160 22.13668 -10.01068      31.63548 
1 1 1 8   5   8  f 292.2314 12.30136 2052.788       171.4811 2213.283       241.5954 1889.837       243.4368 302.7614 16.75626 279.4079 18.32495 23.35345       24.83095 
1 1 1 8   5   9  o 490.8862 7.600743 5768.228       178.3796 5671.652       247.3271 5872.925       257.5150 486.4368 10.63499 494.9612 10.88236 -8.524414      15.21607 
1 1 1 8   5   10 o 472.0459 10.08974 5339.016       227.7051 5120.799       527.7999 5388.920       252.4028 459.1711 24.12754 474.1264 11.13504 -14.95529      26.57306 
1 1 1 8   5   11 o 250.7216 9.655886 1508.073       115.5260 1478.689       187.8789 1525.937       146.4935 247.4909 15.96369 251.9370 12.19862 -4.446091      20.09093 
1 1 1 8   5   12 o 343.0342 8.093533 2817.125       132.7345 3002.365       180.7527 2600.315       195.5493 353.7739 10.69917 328.9989 12.45484 24.77499       16.41936 
1 1 1 8   5   13 o 536.5839 19.14468 6950.581       490.3404 7050.916       691.9382 6849.367       694.9639 537.8683 26.99438 529.9045 27.52629 7.963867       38.55377 
1 1 1 8   5   14 o 426.5281 15.87017 4381.465       323.0573 4264.065       454.3511 4501.507       459.4354 419.1186 22.76035 430.7676 22.38544 -11.64902      31.92400 
1 1 1 8   5   15 o 137.2659 12.63486 456.0030       81.98692 609.4074       116.4988 305.4710       115.4030 158.4306 15.58205 110.3730 22.63028 48.05762       27.47599 
1 1 1 8   5   16 o 484.1360 18.04876 5659.218       417.0249 5790.208       585.3341 5524.188       594.2926 487.4307 25.20345 475.6930 26.23312 11.73767       36.37843 
1 1 1 8   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   5   18 o 270.1721 13.92324 1759.882       179.2346 1702.641       243.0382 1828.134       265.3855 264.6763 19.34012 274.0572 20.40112 -9.380920      28.11132 
1 1 1 8   5   19 o 365.4069 15.43591 3223.906       269.0531 3409.920       373.9028 3024.162       387.4560 374.2618 20.98055 351.6816 23.17349 22.58023       31.26011 
1 1 1 8   5   20 o 269.1107 14.26290 1750.155       182.8494 2067.587       249.5780 1382.355       268.6502 291.6676 17.98570 236.5865 24.08692 55.08102       30.06102 
1 1 1 8   5   21 o 238.4518 15.10283 1378.744       171.2893 1459.435       245.7925 1302.555       238.8366 243.6883 21.31149 229.9114 21.99652 13.77682       30.62721 
1 1 1 8   5   22 o 315.6245 14.77048 2413.496       222.2632 2620.086       307.4865 2187.440       321.6466 327.1988 19.74843 297.7048 22.77160 29.49393       30.14210 
1 1 1 8   5   23 o 63.13946 25.61013 46.20179       120.5219 102.0169       134.2916 -184.8650      273.2383 73.47861 27.83435 72.42331 33.49623 1.055305       43.55168 
1 1 1 8   5   24 o 176.7708 18.37724 771.4920       153.0457 805.0738       254.5430 752.4783       191.5331 175.5944 31.47719 172.7283 23.82791 2.866058       39.47889 
1 1 1 8   5   25 o 272.1711 14.53909 1803.024       188.4989 2240.735       267.5053 1371.333       265.6595 301.8254 18.62901 233.5044 24.14488 68.32103       30.49615 
1 1 1 8   5   26 o 350.2735 15.53166 2993.248       259.4492 3262.971       367.4471 2725.078       366.3883 362.5811 21.29103 329.9948 23.37470 32.58633       31.61779 
1 1 1 8   5   27 o 261.6570 15.93445 1677.372       198.3873 1957.359       307.1579 1476.974       259.8602 279.0396 23.23501 242.4490 22.68202 36.59052       32.47060 
1 1 1 8   5   28 o 206.8016 16.65328 1054.323       163.2590 1191.057       226.7397 907.1169       235.2623 217.4606 22.11654 187.1231 27.08436 30.33745       34.96718 
1 1 1 8   5   29 o 96.20889 27.85122 244.9536       135.4161 361.7178       187.5429 117.7667       195.7343 115.1072 32.60419 82.32401 32.90001 32.78319       46.31893 
1 1 1 8   5   30 o 152.1563 25.41704 604.3465       178.3767 481.0294       211.3665 909.5167       332.5030 131.6934 33.49759 177.6626 40.10068 -45.96919      52.25086 
1 1 1 8   5   31 o 83.77975 34.87592 95.28901       231.1470 64.21107       329.5072 125.3992       324.3364 92.14283 40.07605 95.94073 40.70328 -3.797905      57.12133 
1 1 1 8   5   32 o 99.45683 32.12809 268.5717       174.0277 -156.4184      345.6037 412.9373       201.4284 80.46032 37.37175 120.9376 33.62474 -40.47725      50.27197 
1 1 1 8   5   33 o 95.14124 31.53808 248.0812       167.2057 -192.3175      362.4070 367.1799       188.4634 79.35125 37.31300 113.1984 32.88232 -33.84718      49.73436 
1 1 1 8   5   34 o 207.7603 17.78917 1092.551       174.9972 1344.753       267.1265 902.9374       231.6207 224.5704 25.32126 182.0175 27.47129 42.55296       37.36092 
1 1 1 8   5   35 o 172.3605 20.10732 771.1849       162.5829 976.6485       254.7267 629.9443       211.1966 186.3401 29.58023 148.0014 30.84930 38.33867       42.73956 
1 1 1 8   5   36 o 50.49999 24.44237 -220.7195      181.0568 -328.7548      228.5627 -38.72116      296.6581 53.66817 26.30071 75.33072 34.86245 -21.66255      43.67056 
1 1 1 8   5   37 o 79.07999 30.64766 171.8139       165.3262 -37.59779      393.6023 216.6747       182.1759 80.51136 38.16654 85.30489 32.39492 -4.793533      50.06112 
1 1 1 8   5   38 o 61.72687 27.89518 6.016695       175.5864 821.7906       408.4222 -178.9453      194.4759 126.3783 48.38073 53.07716 25.60175 73.30115       54.73705 
1 1 1 8   5   39 o 59.27874 27.54923 -24.12511      188.2224 360.2543       419.7728 -120.8542      210.5779 88.88152 41.25021 56.50315 27.09549 32.37837       49.35327 
1 1 1 8   6   0  o 115.2033 7.413446 318.9901       40.61457 378.1453       53.30008 237.0842       62.71754 125.3335 8.954114 98.43369 13.69772 26.89984       16.36471 
1 1 1 8   6   1  o 384.3148 8.402388 3537.016       154.3826 3744.300       173.0895 2730.550       341.4135 395.3487 9.157606 335.3560 21.40619 59.99268       23.28276 
1 1 1 8   6   2  o 262.6826 5.681265 1650.867       71.34849 1566.065       121.1807 1695.862       88.27034 255.4304 9.942210 266.0920 6.944581 -10.66162      12.12744 
1 1 1 8   6   3  o 685.6201 7.957068 11256.06       260.8225 0.000000       0.000000 11256.06       260.8225 ?        ?        685.6201 7.957068 0.000000       7.957068 
1 1 1 8   6   4  o 40.68268 11.31489 40.84996       22.80477 0.000000       0.000000 40.84996       22.80477 ?        ?        40.68268 11.31489 0.000000       11.31489 
1 1 1 8   6   5  o 311.1618 12.42171 2327.669       184.4176 0.000000       0.000000 2327.669       184.4176 ?        ?        311.1618 12.42171 0.000000       12.42171 
1 1 1 8   6   6  f 460.3649 8.641727 5076.062       190.2003 4957.098       514.0184 5094.934       204.7319 451.4295 23.90182 461.1506 9.286119 -9.721069      25.64232 
1 1 1 8   6   7  o 448.2278 9.301296 4813.000       199.3199 4928.901       219.6437 4272.236       474.4372 453.5013 10.13052 419.1543 23.77281 34.34702       25.84133 
1 1 1 8   6   8  o 359.8251 9.546262 3103.966       164.0776 3179.012       339.8296 3081.153       187.3636 362.4691 19.68405 358.3362 10.94955 4.132965       22.52453 
1 1 1 8   6   9  o 223.8069 8.829784 1201.386       94.29285 1226.886       115.9582 1151.613       162.0049 225.9913 10.76345 218.3224 15.62435 7.668839       18.97294 
1 1 1 8   6   10 o 557.9764 10.41670 7460.725       277.8781 7654.101       743.9952 7429.376       299.5563 560.2759 27.86279 556.6881 11.25533 3.587769       30.05025 
1 1 1 8   6   11 o 251.3786 8.507326 1514.748       102.0948 1546.888       133.1640 1468.915       159.0202 253.8005 11.00066 247.0149 13.51696 6.785645       17.42764 
1 1 1 8   6   12 f 409.6490 15.21684 4038.316       297.5016 3874.073       417.9280 4207.039       423.5906 399.7786 21.95045 416.8103 21.32779 -17.03177      30.60550 
1 1 1 8   6   13 o 249.9042 9.542610 1498.271       113.8022 1551.679       139.8126 1393.416       195.9006 254.1178 11.53818 239.9949 17.18740 14.12288       20.70112 
1 1 1 8   6   14 f 481.4324 10.09913 5554.384       232.4489 5679.324       256.4598 4979.311       550.2102 486.7008 11.02171 452.0988 25.55992 34.60193       27.83500 
1 1 1 8   6   15 o 307.9830 13.15766 2281.535       193.2910 2593.680       275.1749 1977.514       271.5704 327.6359 17.63242 285.4838 20.02422 42.15210       26.68092 
1 1 1 8   6   16 o 384.1035 15.42333 3554.975       282.6512 3460.998       391.7300 3657.041       408.2392 377.4900 21.79837 387.9829 22.10007 -10.49292      31.04162 
1 1 1 8   6   17 o 375.8940 12.71557 3397.164       228.1833 3532.925       279.1265 3123.647       396.1917 382.8550 15.28029 357.9826 23.27534 24.87241       27.84293 
1 1 1 8   6   18 o 373.0207 15.56332 3357.126       276.9418 3386.263       384.0453 3325.560       399.7354 373.0497 21.62585 369.3346 22.74871 3.715118       31.38760 
1 1 1 8   6   19 o 144.0066 17.81547 508.6661       120.0425 723.0345       158.3115 218.6737       184.1303 171.6720 19.64196 97.03773 33.10182 74.63431       38.49074 
1 1 1 8   6   20 o 125.7849 19.74073 393.0352       114.8091 405.8156       151.1293 375.5942       176.5470 126.4049 25.87982 120.7684 30.55786 5.636559       40.04432 
1 1 1 8   6   21 o 399.3095 15.94255 3862.550       303.7399 3676.882       423.6173 4059.001       435.7457 386.8180 23.01048 406.7239 22.49677 -19.90591      32.18053 
1 1 1 8   6   22 o 78.24398 27.92203 133.7404       131.8582 639.9504       218.5179 -156.1232      165.3555 157.5822 30.10222 54.21187 25.40027 103.3703       39.38677 
1 1 1 8   6   23 o 180.3322 17.69059 799.1368       150.5584 943.3795       177.8648 434.5457       282.7784 195.5990 19.27020 128.2612 40.90771 67.33771       45.21926 
1 1 1 8   6   24 o 161.8149 16.69646 644.0783       127.3144 812.6340       169.6379 426.6931       192.6487 180.9518 19.93896 126.9436 31.81048 54.00818       37.54289 
1 1 1 8   6   25 o 253.3845 15.22843 1566.310       183.6262 1915.436       265.8277 1247.680       253.9523 278.2869 20.11594 222.5410 24.26140 55.74591       31.51613 
1 1 1 8   6   26 o 214.3466 15.33408 1123.820       156.1005 1211.257       212.5590 1021.457       229.9887 220.7041 20.37457 200.8079 24.46023 19.89624       31.83435 
1 1 1 8   6   27 o 113.2664 23.03533 330.7793       120.4868 393.5334       166.8828 262.4511       174.1366 121.7693 29.06951 100.4879 32.10728 21.28139       43.31182 
1 1 1 8   6   28 o 104.8426 28.91295 292.1984       149.6057 276.7593       277.8574 298.5015       177.5370 107.2244 40.16294 105.8114 32.21137 1.413055       51.48431 
1 1 1 8   6   29 o 176.2947 17.73974 773.5590       147.4879 872.7812       208.7106 674.5858       208.4484 184.3621 24.26778 159.7661 28.32722 24.59601       37.30089 
1 1 1 8   6   30 o 51.63400 23.39713 -56.13163      124.5221 4.904685       176.3102 -116.8788      175.8921 67.68621 29.37811 57.89063 26.80985 9.795582       39.77237 
1 1 1 8   6   31 f 137.5820 28.61749 508.5634       182.0954 524.6351       326.2496 501.2911       219.4604 132.8501 44.05449 133.8116 34.18468 -0.9615021     55.76191 
1 1 1 8   6   32 o 121.2445 31.42729 409.0851       183.6554 236.8833       330.9163 485.7351       220.7777 103.8294 42.31668 130.5079 34.76329 -26.67853      54.76484 
1 1 1 8   6   33 o 219.1065 18.07977 1210.521       187.7058 1139.914       265.0118 1281.605       265.9028 205.7402 27.64116 219.8233 25.79114 -14.08307      37.80498 
1 1 1 8   6   34 o 103.8688 28.58091 303.3443       146.3721 240.6975       218.8115 354.0818       196.9180 94.82552 35.61540 109.7531 34.01894 -14.92759      49.25185 
1 1 1 8   6   35 o 72.42936 30.48115 74.85268       179.4947 82.56779       217.6659 58.45650       317.3151 77.56378 33.13988 85.37143 38.12494 -7.807648      50.51498 
1 1 1 8   6   36 o 168.2311 26.01364 793.1127       202.4819 808.6404       254.7969 766.5010       333.5623 161.7728 34.02475 143.8346 44.22264 17.93822       55.79718 
1 1 1 8   6   37 f 90.53690 29.86423 251.7129       149.9845 711.8113       236.8921 -56.11884      193.7679 148.5253 34.08490 60.90733 28.18322 87.61800       44.22754 
1 1 1 8   6   38 o 80.27175 29.88221 196.3100       153.3399 103.2612       241.2173 259.4106       198.6415 75.16022 33.42305 88.24580 33.75105 -13.08558      47.49982 
1 1 1 8   6   39 o 69.61777 28.74484 131.6361       155.2425 118.2696       245.7023 140.5178       200.2856 73.21639 33.05111 72.73215 31.44046 0.4842377      45.61664 
1 1 1 8   7   0  f 700.9896 24.11621 11912.46       807.0153 12543.31       1141.201 11281.41       1141.384 714.7517 33.48942 676.7161 35.40216 38.03564       48.73248 
1 1 1 8   7   1  o 950.3002 11.86312 21657.30       538.9744 21717.15       559.8231 20898.31       1993.521 951.4954 12.30653 912.2102 45.85774 39.28522       47.48035 
1 1 1 8   7   2  o 491.8606 6.811122 5789.433       160.1655 4901.669       545.1310 5873.310       167.5611 448.7137 25.51626 495.3895 7.074862 -46.67581      26.47892 
1 1 1 8   7   3  o 505.1102 7.433758 6106.925       179.5159 0.000000       0.000000 6106.925       179.5159 ?        ?        505.1102 7.433758 0.000000       7.433758 
1 1 1 8   7   4  o 330.7169 12.97619 2629.058       204.7709 0.000000       0.000000 2629.058       204.7709 ?        ?        330.7169 12.97619 0.000000       12.97619 
1 1 1 8   7   5  o 393.5365 14.70950 3726.374       276.2652 0.000000       0.000000 3726.374       276.2652 ?        ?        393.5365 14.70950 0.000000       14.70950 
1 1 1 8   7   6  o 341.9214 6.548331 2797.510       107.0447 2185.934       291.9890 2892.468       115.0552 300.2376 20.46431 347.6552 6.922282 -47.41763      21.60337 
1 1 1 8   7   7  o 256.6823 8.575587 1579.407       105.0892 1673.922       126.2826 1366.541       189.5160 264.1267 10.01869 237.7388 16.78175 26.38797       19.54485 
1 1 1 8   7   8  o 681.1799 10.97536 11122.11       357.4282 11350.63       1079.128 11093.95       378.8106 679.8288 33.30341 680.1999 11.64869 -0.3710938     35.28185 
1 1 1 8   7   9  o 311.9902 12.60094 2338.894       187.5676 2235.713       263.8187 2444.362       266.7264 304.1525 18.22647 318.1891 17.60224 -14.03665      25.33857 
1 1 1 8   7   10 o 227.0587 10.86788 1238.481       117.6328 1228.419       164.0129 1249.139       168.8066 225.5894 15.29775 227.4462 15.61877 -1.856812      21.86246 
1 1 1 8   7   11 o 411.5730 9.568289 4057.683       188.2736 4135.771       210.7935 3749.684       418.6400 415.2786 10.62591 393.2078 22.36167 22.07086       24.75791 
1 1 1 8   7   12 o 392.5082 10.47225 3694.823       196.3401 3718.219       393.6505 3687.075       226.5282 391.8114 21.09256 391.8817 12.10542 -0.7025146E-01 24.31948 
1 1 1 8   7   13 f 488.0243 17.43093 5742.105       406.0433 5477.087       571.3376 6012.563       577.1706 474.3853 25.28277 497.4113 24.34453 -23.02597      35.09807 
1 1 1 8   7   14 o 77.91380 23.59868 148.1346       95.45501 188.8971       107.7910 -0.2575351E-02 205.4867 87.11046 24.73290 75.22385 32.17125 11.88660       40.57962 
1 1 1 8   7   15 o 389.2016 22.40079 3680.039       415.0570 0.000000       0.000000 3680.039       415.0570 ?        ?        389.2016 22.40079 0.000000       22.40079 
1 1 1 8   7   16 o 431.0511 16.88033 4483.266       347.1985 4974.805       487.2605 3976.289       494.8531 452.4678 22.59653 403.3743 25.79536 49.09348       34.29291 
1 1 1 8   7   17 o 339.8759 14.69475 2784.086       238.2120 2772.343       326.3736 2797.474       348.4769 337.9097 20.29609 339.0957 21.60770 -1.186005      29.64497 
1 1 1 8   7   18 o 291.5424 14.42739 2050.499       200.4687 2360.701       271.8527 1680.756       296.7980 312.0343 18.30351 261.6830 23.99008 50.35126       30.17519 
1 1 1 8   7   19 f 94.29946 25.41564 225.0464       117.1588 135.1347       128.5357 666.5611       284.8316 78.52063 27.61106 159.7812 37.86884 -81.26054      46.86598 
1 1 1 8   7   20 o 492.1755 18.52894 5883.138       435.2138 6046.627       610.7715 5714.502       620.3099 495.3044 25.88260 480.7799 27.09663 14.52448       37.47181 
1 1 1 8   7   21 o 168.4877 16.13592 693.1497       128.3917 761.6134       172.7430 608.6476       191.9127 175.4688 21.00881 154.8835 26.89235 20.58531       34.12577 
1 1 1 8   7   22 f 115.6123 21.82817 337.8068       116.2293 288.2568       153.6604 404.0674       177.6921 105.6874 29.36223 124.5896 30.15876 -18.90218      42.09146 
1 1 1 8   7   23 o 296.0026 14.73496 2127.727       207.8669 2367.155       281.3478 1839.940       308.4549 310.6618 19.03431 271.6752 23.99474 38.98663       30.62765 
1 1 1 8   7   24 o 132.4296 19.65465 438.9597       120.6699 285.7551       161.5125 632.5251       181.5448 104.6806 30.44995 157.6333 24.91661 -52.95273      39.34510 
1 1 1 8   7   25 o 56.90438 23.59362 26.41633       105.1864 12.86273       135.9790 46.60986       165.9781 61.82682 26.29755 71.15512 29.58141 -9.328304      39.58056 
1 1 1 8   7   26 o 81.99196 32.44541 114.6085       188.5536 -63.52950      244.3437 376.8399       296.4593 74.45882 33.33872 120.0153 41.95304 -45.55650      53.58664 
1 1 1 8   7   27 o 105.2225 27.91269 292.4181       142.7062 316.5597       161.4268 206.0666       305.3000 109.0621 30.01665 102.9126 41.10211 6.149544       50.89580 
1 1 1 8   7   28 o 64.30500 25.72655 60.76495       119.8155 78.16682       155.2438 35.12926       188.4251 72.46363 29.18259 73.01968 31.00340 -0.5560455     42.57739 
1 1 1 8   7   29 o 223.9459 15.56290 1234.295       165.5890 1155.467       227.7918 1322.627       241.1338 213.2473 22.69130 228.4711 22.36194 -15.22379      31.85830 
1 1 1 8   7   30 o 254.3560 15.54806 1593.202       188.1684 1819.546       263.0021 1355.833       269.3314 268.9832 20.60847 229.3295 24.96776 39.65372       32.37434 
1 1 1 8   7   31 o 45.74094 21.62818 -129.3328      124.8672 -38.86526      170.4664 -234.0742      183.4222 62.62160 27.95600 52.32488 25.14302 10.29672       37.59933 
1 1 1 8   7   32 o 89.98432 31.54095 208.0486       167.6377 719.5234       313.2896 2.851259       198.4357 154.0977 41.57341 70.42755 30.85589 83.67018       51.77291 
1 1 1 8   7   33 o 185.9871 19.47487 882.3229       170.6028 1119.560       231.4047 599.8323       252.5124 206.6311 23.86226 141.7661 36.90303 64.86499       43.94590 
1 1 1 8   7   34 o 47.23716 22.65186 -175.2428      147.1646 -13.88324      175.8859 -551.8822      268.7180 64.20145 28.54557 53.68841 26.70690 10.51304       39.09102 
1 1 1 8   7   35 o 139.3568 27.82487 544.8217       178.8877 683.7263       211.8470 199.6645       333.9433 155.0372 29.66137 95.51015 40.93325 59.52709       50.55025 
1 1 1 8   7   36 o 92.22485 31.80559 256.0578       170.1157 250.5417       198.0806 271.5612       332.0781 91.46022 33.97915 96.49685 41.07190 -5.036629      53.30557 
1 1 1 8   7   37 o 45.80090 21.93711 -140.1436      137.1222 -185.3811      197.7504 -98.24895      190.3039 54.06752 26.01280 57.64242 27.08415 -3.574905      37.55286 
1 1 1 8   7   38 o 44.38840 21.50249 -167.7436      140.8779 -267.9627      195.8997 -60.40443      202.7392 49.26020 24.18306 60.39713 28.24220 -11.13693      37.18121 
1 1 1 8   7   39 o 53.87019 24.77370 -21.01234      146.4448 125.7724       210.3122 -159.1704      204.0386 71.66653 31.56970 53.66992 25.96958 17.99661       40.87867 
1 1 1 8   8   0  o 508.5738 9.542393 6194.804       232.0169 6231.029       250.9056 5981.024       609.5239 509.9781 10.29083 496.0642 25.78923 13.91394       27.76662 
1 1 1 8   8   1  o 430.9683 9.157512 4447.864       188.6823 4477.189       207.6077 4308.663       452.3198 432.3076 10.04482 421.6790 22.51817 10.62857       24.65697 
1 1 1 8   8   2  o 87.39719 6.963324 183.9364       28.85485 162.4188       44.24220 199.8647       38.06482 81.48720 11.69074 90.93179 8.868449 -9.444588      14.67388 
1 1 1 8   8   3  o 232.9283 8.488233 1300.706       94.36720 0.000000       0.000000 1300.706       94.36720 ?        ?        232.9283 8.488233 0.000000       8.488233 
1 1 1 8   8   4  o 443.4022 16.00516 4732.229       338.7297 0.000000       0.000000 4732.229       338.7297 ?        ?        443.4022 16.00516 0.000000       16.00516 
1 1 1 8   8   5  o 93.19257 9.089337 209.9502       39.98282 0.000000       0.000000 209.9502       39.98282 ?        ?        93.19257 9.089337 0.000000       9.089337 
1 1 1 8   8   6  o 432.4500 9.455524 4479.277       195.4924 0.000000       0.000000 4479.277       195.4924 ?        ?        432.4500 9.455524 0.000000       9.455524 
1 1 1 8   8   7  o 381.7083 8.279597 3488.190       151.0947 3529.037       187.5291 3412.607       255.0956 383.6480 10.23329 376.7345 14.18849 6.913483       17.49381 
1 1 1 8   8   8  o 64.87190 13.22437 104.6451       39.62208 88.37922       58.96689 118.0345       53.49942 60.57046 18.58811 68.69877 16.49717 -8.128311      24.85306 
1 1 1 8   8   9  o 73.66379 13.03716 134.0503       44.23423 122.6753       65.98222 143.3358       59.61459 70.22161 19.13593 75.71996 16.89690 -5.498352      25.52820 
1 1 1 8   8   10 o 592.1833 20.50523 8472.746       579.6599 8058.853       818.4812 8889.242       821.0507 574.0831 29.92454 603.6130 28.53212 -29.52997      41.34682 
1 1 1 8   8   11 o 157.7590 10.27841 598.9050       77.10053 612.5148       104.8170 582.8593       113.8106 159.1156 13.91878 154.9461 15.57465 4.169434       20.88785 
1 1 1 8   8   12 o 218.9055 12.50548 1153.489       130.3331 1237.553       177.1214 1054.222       192.4717 226.2074 16.49109 208.1584 19.56993 18.04900       25.59176 
1 1 1 8   8   13 o 423.2093 16.09291 4314.991       325.0171 4383.481       457.6537 4245.296       461.6595 424.9635 22.60698 418.0270 23.19073 6.936462       32.38650 
1 1 1 8   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   8   15 o 321.2508 14.19873 2485.237       217.5343 2670.804       301.9167 2284.900       313.7015 332.0865 19.09690 306.5163 21.54416 25.57019       28.78963 
1 1 1 8   8   16 o 328.7214 14.50764 2603.704       227.4374 2842.183       315.5331 2345.808       328.1265 342.4414 19.35180 310.2860 22.26733 32.15540       29.50129 
1 1 1 8   8   17 o 134.3086 21.26946 447.5215       132.0298 552.7094       216.5003 385.2393       166.5934 147.1125 31.71696 122.9829 28.83710 24.12965       42.86658 
1 1 1 8   8   18 o 316.6766 14.37667 2419.429       217.0943 2256.196       300.2119 2598.351       314.3084 304.2574 20.76293 326.7655 20.21826 -22.50812      28.98063 
1 1 1 8   8   19 o 406.4456 14.27949 3985.955       277.0437 4383.211       455.7804 3753.171       348.8970 423.3402 22.60137 393.1030 18.61737 30.23721       29.28188 
1 1 1 8   8   20 o 501.7091 18.64086 6119.555       446.3447 6061.544       624.4534 6180.152       638.2252 495.1350 26.47586 499.7585 26.81007 -4.623505      37.67958 
1 1 1 8   8   21 f 384.7264 16.14594 3591.189       296.3175 3998.056       410.6900 3149.394       427.9555 403.7802 21.35045 356.4133 25.27923 47.36694       33.08899 
1 1 1 8   8   22 o 239.4842 15.41930 1395.309       175.6046 1290.609       214.1755 1610.062       306.7371 228.9978 19.75574 253.6073 25.65086 -24.60948      32.37678 
1 1 1 8   8   23 o 191.0410 15.74194 892.1917       142.5035 1083.879       193.9247 667.1770       210.1074 209.4912 19.58957 160.8834 28.35178 48.60773       34.46120 
1 1 1 8   8   24 o 74.63421 25.97713 128.0544       113.5949 125.3315       149.6222 131.7596       174.5346 78.59473 29.46535 82.59591 31.62522 -4.001183      43.22454 
1 1 1 8   8   25 o 69.42010 27.85820 68.32966       140.9400 173.6212       256.1861 22.63060       168.7767 96.10404 37.88486 69.06187 29.33346 27.04217       47.91361 
1 1 1 8   8   26 o 107.5236 24.73755 300.7755       124.5180 187.1244       167.8972 439.6929       185.6244 89.00020 31.53359 128.4259 30.65825 -39.42572      43.98063 
1 1 1 8   8   27 o 154.6369 23.29241 610.2030       166.8612 942.9059       287.2658 440.7900       204.9883 187.6064 33.24471 127.3488 33.29864 60.25760       47.05327 
1 1 1 8   8   28 o 237.6615 15.78293 1388.362       178.3147 1475.378       245.6014 1291.363       259.3066 242.2900 21.42300 224.8805 24.51515 17.40952       32.55669 
1 1 1 8   8   29 o 245.2368 20.25551 1508.763       235.3697 1530.911       313.3664 1480.095       356.5193 242.3599 27.53213 234.4527 32.69481 7.907227       42.74306 
1 1 1 8   8   30 o 150.6423 24.10386 589.0756       167.7469 654.3698       191.9447 377.9814       345.1255 157.7703 26.37786 118.2577 44.66112 39.51260       51.86913 
1 1 1 8   8   31 o 210.8291 16.90410 1104.565       168.9582 1202.207       233.0130 996.3105       245.3502 216.7247 22.83125 194.5281 27.11732 22.19659       35.44877 
1 1 1 8   8   32 o 196.6679 20.93900 988.3269       193.8547 1106.092       325.9470 923.8722       241.1380 196.8583 35.95715 185.5329 28.06109 11.32533       45.61076 
1 1 1 8   8   33 o 57.64344 25.17426 -1.466480      131.1613 -49.18324      175.3038 59.21346       197.6871 61.60224 27.85254 74.31828 31.66263 -12.71604      42.16973 
1 1 1 8   8   34 o 61.13901 27.04476 -9.009001      155.8819 -164.4103      180.9857 437.5182       306.7898 54.50698 25.85126 116.9051 42.47780 -62.39816      49.72576 
1 1 1 8   8   35 f 130.5568 28.63453 486.5894       173.8009 751.8448       205.0688 -189.7736      327.4594 164.5122 27.00964 72.97562 34.65744 91.53654       43.93926 
1 1 1 8   8   36 o 49.36953 23.76944 -183.1245      165.8026 -177.9852      190.8209 -198.9594      334.9523 53.98330 25.86214 71.01466 34.08547 -17.03136      42.78633 
1 1 1 8   8   37 o 50.55336 24.20084 -151.4786      166.4099 -178.9739      190.6469 -63.49525      341.0363 53.11881 25.55251 75.00494 35.54754 -21.88614      43.77852 
1 1 1 8   8   38 o 72.58081 28.83813 145.6266       149.5280 -337.3052      211.3984 629.1629       211.5307 48.77309 24.16266 136.8805 32.76096 -88.10741      40.70767 
1 1 1 8   8   39 o 67.41075 29.66279 97.28333       185.2048 -658.5931      362.7078 363.8701       215.4025 55.62713 28.11886 94.60124 35.37705 -38.97411      45.19077 
1 1 1 8   9   0  o 396.0505 14.80550 3772.472       279.8445 3775.694       395.5669 3769.244       395.9532 395.0062 21.02202 394.6588 21.06150 0.3474426      29.75756 
1 1 1 8   9   1  o 180.3683 7.951336 780.2383       68.39746 803.6088       85.42271 738.4900       114.1721 182.9012 9.804797 174.8754 13.76693 8.025833       16.90155 
1 1 1 8   9   2  o 201.3404 7.120330 971.3025       68.43137 926.0296       96.03418 1018.003       97.53645 196.3330 10.26682 205.9080 9.937325 -9.575012      14.28839 
1 1 1 8   9   3  o 185.3215 9.889015 825.0325       87.29954 0.000000       0.000000 825.0325       87.29954 ?        ?        185.3215 9.889015 0.000000       9.889015 
1 1 1 8   9   4  o 612.1400 20.95349 9052.848       612.3146 0.000000       0.000000 9052.848       612.3146 ?        ?        612.1400 20.95349 0.000000       20.95349 
1 1 1 8   9   5  o 238.9021 8.323884 1368.039       94.92714 0.000000       0.000000 1368.039       94.92714 ?        ?        238.9021 8.323884 0.000000       8.323884 
1 1 1 8   9   6  o 617.3829 10.18684 9132.249       300.6784 0.000000       0.000000 9132.249       300.6784 ?        ?        617.3829 10.18684 0.000000       10.18684 
1 1 1 8   9   7  o 189.2437 8.300037 859.0443       74.91215 810.6995       129.4967 883.3599       91.83882 183.1080 14.92180 191.7571 10.05278 -8.649078      17.99217 
1 1 1 8   9   8  o 154.4703 9.283766 573.5443       68.24464 562.9034       90.01431 587.9289       104.6574 152.6872 12.43874 155.8368 14.20318 -3.149673      18.87995 
1 1 1 8   9   9  o 216.1393 9.782859 1121.457       100.8279 1223.670       134.7227 991.3057       152.0242 225.4996 12.54591 202.4509 15.83253 23.04878       20.20071 
1 1 1 8   9   10 o 555.6498 19.75578 7457.277       523.9769 7664.294       740.2261 7249.375       741.8068 560.5499 27.70701 544.7803 28.58136 15.76965       39.80669 
1 1 1 8   9   11 o 213.8279 12.64826 1100.978       128.7239 1273.794       175.6482 900.4844       189.1914 229.5680 16.10603 191.9710 20.95356 37.59692       26.42831 
1 1 1 8   9   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   9   13 o 612.1987 9.000120 8977.835       263.4202 9633.587       361.8882 8238.829       384.1747 633.6584 11.94568 585.6514 13.72085 48.00696       18.19234 
1 1 1 8   9   14 o 513.9672 11.49509 6337.292       282.4595 6367.221       314.8325 6213.804       639.5154 514.9609 12.78783 504.3604 26.61594 10.60049       29.52858 
1 1 1 8   9   15 f 592.3887 11.50946 8420.566       325.9642 8573.172       356.8844 7652.603       800.5970 597.5308 12.49277 557.8262 30.13157 39.70459       32.61872 
1 1 1 8   9   16 o 266.8756 13.26236 1715.933       168.6846 1795.841       234.4660 1630.196       242.8679 272.1293 18.12503 258.8594 19.77413 13.26996       26.82411 
1 1 1 8   9   17 o 717.5222 11.82728 12365.84       405.7219 12632.72       435.1755 10592.08       1121.896 725.0046 12.55496 650.3377 36.22638 74.66693       38.34029 
1 1 1 8   9   18 o 192.6584 14.36472 899.1907       131.3580 985.8375       176.0719 790.4286       197.2661 200.9271 18.53808 178.4548 23.70744 22.47235       30.09490 
1 1 1 8   9   19 o 447.8008 17.36220 4863.473       371.0005 5232.270       520.5907 4482.875       528.8547 461.6802 23.66455 426.0431 26.08927 35.63712       35.22301 
1 1 1 8   9   20 o 185.3825 17.79523 841.5042       155.7832 991.1124       244.0855 738.6773       202.3568 198.7314 26.33799 171.4133 25.46512 27.31813       36.63553 
1 1 1 8   9   21 o 251.0007 16.33001 1534.255       194.8972 1660.109       251.8212 1346.258       307.7749 259.8130 20.43767 230.7053 28.51005 29.10768       35.07878 
1 1 1 8   9   22 o 260.5860 14.45742 1649.116       179.4091 1733.363       243.1572 1548.450       265.7974 265.5849 19.28161 249.7043 22.50595 15.88055       29.63610 
1 1 1 8   9   23 o 278.3600 15.30374 1887.555       202.8797 2093.377       256.3500 1542.551       331.8947 291.9688 18.45940 245.7060 28.79969 46.26277       34.20777 
1 1 1 8   9   24 o 316.1955 14.89377 2434.591       224.5156 2391.741       305.2491 2485.094       331.3847 310.7825 20.66154 316.0501 22.07018 -5.267609      30.23231 
1 1 1 8   9   25 o 142.9075 18.77426 509.5294       125.1710 425.1279       161.3253 637.1965       198.4115 127.5130 27.28741 156.7595 27.47535 -29.24651      38.72335 
1 1 1 8   9   26 o 210.1039 16.07442 1084.330       160.2388 1129.267       220.8803 1034.406       232.8140 211.9655 22.12158 201.5937 24.66937 10.37178       33.13521 
1 1 1 8   9   27 o 54.33091 24.00956 -26.50491      122.5653 20.21318       165.0550 -83.93203      182.9973 67.72471 28.89494 62.03352 28.20958 5.691189       40.38190 
1 1 1 8   9   28 f 113.0378 25.71460 337.2009       135.8230 493.3175       185.0402 154.8283       199.9960 135.6710 29.38016 86.98523 33.70916 48.68581       44.71578 
1 1 1 8   9   29 o 43.12559 20.76524 -176.8204      126.6113 -296.6011      171.7650 -34.30129      187.3605 47.07771 23.01365 66.18430 29.44252 -19.10658      37.36964 
1 1 1 8   9   30 o 228.1150 19.28381 1304.415       208.3394 1406.153       253.3230 1091.774       366.2321 234.7520 22.86056 193.8409 40.81119 40.91107       46.77776 
1 1 1 8   9   31 o 91.23522 32.04609 212.5734       173.1104 133.3664       197.9471 470.1311       356.9476 83.31348 33.15493 125.8802 45.80703 -42.56676      56.54674 
1 1 1 8   9   32 o 145.1759 29.29454 580.8865       196.3053 560.0371       358.7744 589.7955       234.5256 131.6049 46.14140 142.6247 34.72443 -11.01971      57.74786 
1 1 1 8   9   33 o 121.6130 24.92108 400.1196       140.0218 435.4038       207.3676 370.5502       189.8335 121.4498 34.24416 112.7687 33.07088 8.681168       47.60615 
1 1 1 8   9   34 o 106.4950 27.48151 318.7716       140.8559 556.9421       209.0024 120.5726       190.6594 138.1276 32.23939 78.68427 32.10088 59.44331       45.49554 
1 1 1 8   9   35 o 89.77737 29.10998 231.6679       142.7864 286.5229       213.5314 187.3012       192.0356 97.46050 35.43449 84.82085 32.98671 12.63965       48.41205 
1 1 1 8   9   36 o 108.4215 28.61947 354.1306       150.4976 387.1201       225.3156 327.5566       202.2236 106.5236 36.60910 99.98775 34.66804 6.535797       50.41924 
1 1 1 8   9   37 o 118.4067 38.12794 516.2957       245.2223 194.9178       348.2248 832.4551       345.3860 87.22050 39.36226 140.0122 45.26417 -52.79171      59.98527 
1 1 1 8   9   38 o 93.65985 37.66237 351.9828       258.1563 -124.5895      359.2030 861.1190       371.2722 70.14166 34.06134 128.9771 46.74849 -58.83542      57.84113 
1 1 1 8   9   39 o 102.4500 33.57153 405.0529       189.6547 404.3983       219.4343 406.9855       377.0510 98.07893 35.88072 88.70217 40.39748 9.376762       54.03131 
1 1 1 8   10  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   10  1  o 588.3880 20.47536 8363.373       575.0972 8069.303       813.1318 8657.701       813.4888 574.6226 29.69929 595.7024 28.64763 -21.07977      41.26421 
1 1 1 8   10  2  o 444.7029 7.036437 4732.596       149.5999 4619.038       213.9576 4841.215       209.2532 439.0685 10.19265 449.5498 9.736119 -10.48132      14.09546 
1 1 1 8   10  3  o 335.8570 8.836841 2702.992       141.7693 0.000000       0.000000 2702.992       141.7693 ?        ?        335.8570 8.836841 0.000000       8.836841 
1 1 1 8   10  4  o 797.5447 11.03637 15246.72       420.8135 0.000000       0.000000 15246.72       420.8135 ?        ?        797.5447 11.03637 0.000000       11.03637 
1 1 1 8   10  5  o 305.8809 9.506240 2243.299       138.8487 0.000000       0.000000 2243.299       138.8487 ?        ?        305.8809 9.506240 0.000000       9.506240 
1 1 1 8   10  6  o 461.1443 9.718951 5094.362       214.2716 0.000000       0.000000 5094.362       214.2716 ?        ?        461.1443 9.718951 0.000000       9.718951 
1 1 1 8   10  7  f 247.7124 9.024157 1471.520       106.6931 0.000000       0.000000 1471.520       106.6931 ?        ?        247.7124 9.024157 0.000000       9.024157 
1 1 1 8   10  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   10  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   10  10 o 65.50672 18.60543 106.0536       60.98694 69.99124       70.43762 214.0449       121.8910 57.72054 20.42712 92.64165 26.30001 -34.92111      33.30101 
1 1 1 8   10  11 o 204.6496 12.77806 1009.173       124.3975 995.5256       163.7077 1027.820       191.3605 202.6247 17.05752 205.4271 19.72653 -2.802383      26.07863 
1 1 1 8   10  12 o 453.1062 16.98602 4951.923       367.3081 5219.777       517.5435 4680.082       521.3821 463.3694 23.43818 438.1924 24.99122 25.17691       34.26236 
1 1 1 8   10  13 o 475.7923 11.60473 5431.624       263.9738 4940.054       524.3635 5598.491       305.5100 450.2552 24.45108 482.5938 13.25399 -32.33859      27.81229 
1 1 1 8   10  14 o 365.9742 14.98580 3227.994       261.6490 3570.276       364.9941 2866.157       375.2752 383.7361 19.96368 342.8831 23.02611 40.85306       30.47541 
1 1 1 8   10  15 o 422.1503 16.25293 4301.602       327.4124 4524.092       461.1216 4075.388       464.9643 431.0774 22.45180 408.5836 23.90738 22.49384       32.79705 
1 1 1 8   10  16 o 136.0337 18.13323 454.9989       114.9970 684.5238       195.0409 332.6897       142.3772 165.5860 25.45070 114.3726 26.55012 51.21345       36.77835 
1 1 1 8   10  17 o 229.7568 13.15506 1274.441       143.8966 1443.775       200.0156 1092.769       207.1742 243.7577 17.27508 211.0692 20.80067 32.68854       27.03879 
1 1 1 8   10  18 o 161.4978 17.78928 639.3170       135.0790 544.6356       210.0383 706.0972       176.3966 145.3633 31.15916 168.6569 22.43222 -23.29358      38.39398 
1 1 1 8   10  19 o 459.2220 17.43663 5122.201       382.1236 5045.801       535.6058 5201.402       545.3344 452.0992 24.87598 458.9958 24.94486 -6.896545      35.22868 
1 1 1 8   10  20 o 466.4608 13.76856 5258.871       306.7160 5434.683       560.0066 5183.531       366.5894 468.3144 25.10367 461.9477 16.62600 6.366699       30.11010 
1 1 1 8   10  21 o 157.9230 17.01958 613.2151       126.4732 843.8077       167.2201 305.0004       193.3271 184.9068 19.19485 108.8145 33.70388 76.09226       38.78652 
1 1 1 8   10  22 o 45.24071 20.92777 -82.62238      106.7273 -65.01624      137.1565 -109.6460      169.9243 54.45484 24.62719 58.10748 26.70900 -3.652637      36.33000 
1 1 1 8   10  23 o 133.6895 20.96881 450.4589       129.6185 531.1802       169.9093 338.0813       200.4762 143.7654 25.66190 113.0840 34.18855 30.68147       42.74799 
1 1 1 8   10  24 o 65.94234 24.97771 82.61908       108.1367 237.0916       131.3708 -241.9843      190.4363 95.53322 27.36353 54.00783 25.86379 41.52539       37.65234 
1 1 1 8   10  25 o 71.13464 28.48744 75.13225       147.0631 213.0589       228.1307 -22.94138      192.3693 97.35107 36.40689 68.83171 30.26158 28.51936       47.34158 
1 1 1 8   10  26 o 292.4974 16.24863 2099.155       226.3273 2247.331       290.0487 1868.480       361.8948 300.5381 20.30581 268.7825 28.60135 31.75558       35.07653 
1 1 1 8   10  27 o 50.85749 22.88196 -46.13966      116.6541 -124.6089      146.1521 91.60342       193.6379 51.31943 23.99141 79.37051 32.36204 -28.05108      40.28510 
1 1 1 8   10  28 o 90.06001 30.67413 205.5998       158.1025 224.6644       264.3050 194.9771       197.2927 99.83540 38.73437 91.33726 33.91566 8.498138       51.48421 
1 1 1 8   10  29 o 208.5046 18.95475 1088.988       186.8849 1250.803       219.8202 667.0728       354.9535 222.4969 20.91009 147.6608 45.65741 74.83612       50.21783 
1 1 1 8   10  30 o 250.9813 20.62558 1589.846       245.3071 1835.888       328.6627 1280.385       368.5945 265.6396 26.22068 212.6768 37.62748 52.96275       45.86231 
1 1 1 8   10  31 o 70.90683 28.13595 89.81237       142.1564 -59.46428      193.0858 266.4968       210.0649 64.56236 29.20709 99.78010 35.27949 -35.21774      45.80062 
1 1 1 8   10  32 o 108.8679 27.69749 328.0488       144.4861 299.3508       188.3625 369.0717       225.2068 102.6254 33.44620 111.9117 36.57773 -9.286278      49.56388 
1 1 1 8   10  33 o 106.9658 28.29452 322.3259       146.9023 262.2358       190.0111 411.6104       231.6145 96.37782 33.59382 116.0614 37.02306 -19.68360      49.99252 
1 1 1 8   10  34 o 194.0951 19.23829 971.3948       176.1746 956.1719       236.5111 990.3699       264.0553 185.9572 27.42525 186.2371 30.72718 -0.2799225     41.18621 
1 1 1 8   10  35 o 66.62270 26.92280 87.36942       132.6328 -38.82156      187.6905 213.2400       187.4521 62.31085 28.42582 86.76172 32.88091 -24.45087      43.46471 
1 1 1 8   10  36 o 153.6871 26.18960 682.7877       185.5377 785.6918       349.8432 642.5177       218.8508 136.9349 45.62585 141.8110 32.91520 -4.876099      56.25948 
1 1 1 8   10  37 o 128.3581 30.36764 523.6096       183.4252 743.3783       358.1646 445.4788       213.5555 126.2595 45.89391 111.6125 35.54448 14.64698       58.04878 
1 1 1 8   10  38 o 62.74497 26.99940 74.49206       146.3898 111.4608       214.5206 42.27297       200.2665 71.17637 31.59288 65.02092 29.54557 6.155449       43.25564 
1 1 1 8   11  0  o 154.8233 9.552178 576.4298       70.36021 687.4932       98.99356 463.0441       100.0232 168.8305 12.34987 137.9368 15.43158 30.89369       19.76494 
1 1 1 8   11  1  o 574.3478 9.090221 7901.089       249.6076 8312.331       269.8843 5468.677       656.3683 589.0404 9.583500 472.6584 29.18877 116.3820       30.72178 
1 1 1 8   11  2  o 311.4962 7.043189 2322.184       104.8891 2062.892       251.2823 2376.895       115.4257 292.0833 18.08347 315.1102 7.661815 -23.02692      19.63964 
1 1 1 8   11  3  o 496.5412 17.58055 5944.282       416.6873 0.000000       0.000000 5944.282       416.6873 ?        ?        496.5412 17.58055 0.000000       17.58055 
1 1 1 8   11  4  o 308.7380 8.107457 2283.687       119.5658 0.000000       0.000000 2283.687       119.5658 ?        ?        308.7380 8.107457 0.000000       8.107457 
1 1 1 8   11  5  o 300.4410 11.99594 2168.598       171.9602 0.000000       0.000000 2168.598       171.9602 ?        ?        300.4410 11.99594 0.000000       11.99594 
1 1 1 8   11  6  o 522.2472 9.839896 6535.089       245.6829 0.000000       0.000000 6535.089       245.6829 ?        ?        522.2472 9.839896 0.000000       9.839896 
1 1 1 8   11  7  o 142.1563 9.966771 486.6157       67.30828 0.000000       0.000000 486.6157       67.30828 ?        ?        142.1563 9.966771 0.000000       9.966771 
1 1 1 8   11  8  o 71.19815 12.74611 125.3275       41.79330 206.1554       66.68348 73.03855       53.63428 91.28881 15.85378 55.69854 17.82122 35.59027       23.85242 
1 1 1 8   11  9  o 132.7219 9.349334 424.1085       58.94459 572.4833       117.7635 374.5093       68.08759 153.3816 16.30914 124.4202 11.57931 28.96137       20.00172 
1 1 1 8   11  10 o 91.44989 16.12875 207.1456       67.94039 216.8401       81.12793 184.3825       124.3151 93.16156 18.86260 87.10102 27.03488 6.060539       32.96487 
1 1 1 8   11  11 o 508.4628 18.45519 6246.352       447.8836 6419.422       631.1170 6070.750       635.7141 512.8871 25.82136 498.3434 26.78076 14.54373       37.20150 
1 1 1 8   11  12 o 534.9598 11.71809 6868.252       299.6998 6981.904       693.4185 6842.145       332.3444 534.0735 27.24731 533.6930 13.02532 0.3804932      30.20058 
1 1 1 8   11  13 o 181.2806 12.77187 793.3510       109.9830 901.7125       152.4978 675.8915       158.7707 192.6896 16.71907 165.8850 20.45214 26.80464       26.41624 
1 1 1 8   11  14 o 290.2761 13.14068 2029.851       181.8905 2070.676       249.9409 1983.888       265.2007 292.2141 17.97775 285.6314 19.53816 6.582733       26.55069 
1 1 1 8   11  15 o 441.4276 10.99921 4678.654       232.1290 4680.679       262.5188 4671.397       497.0244 441.0741 12.46166 436.9020 23.88583 4.172058       26.94116 
1 1 1 8   11  16 f 364.0859 14.87107 3202.351       258.3090 3257.636       363.1495 3145.733       367.4973 365.3757 20.87607 358.7956 21.52285 6.580078       29.98405 
1 1 1 8   11  17 o 352.0481 12.03381 2985.201       202.2436 3164.790       251.7888 2658.658       339.5211 361.8617 14.58398 329.3954 21.68014 32.46628       26.12893 
1 1 1 8   11  18 o 365.4776 15.03859 3233.743       262.2089 3292.374       367.8373 3173.172       373.8751 366.5758 21.07747 359.5297 21.85443 7.046112       30.36241 
1 1 1 8   11  19 o 73.73341 23.88669 130.7628       96.15482 125.9834       122.6822 138.3748       154.8265 75.79295 26.94512 81.71069 30.09808 -5.917740      40.39721 
1 1 1 8   11  20 o 373.9215 11.93077 3374.415       213.0104 3654.485       279.6989 2987.668       328.6781 388.0418 15.10547 348.8952 19.78569 39.14658       24.89274 
1 1 1 8   11  21 o 210.5500 16.13079 1084.122       161.1385 1290.070       236.9495 906.9299       219.7858 227.6767 22.04398 189.4934 24.85929 38.18336       33.22531 
1 1 1 8   11  22 o 196.6465 15.45360 945.8715       144.1196 1033.084       191.1033 830.8588       219.4577 204.1153 19.83296 180.4019 26.21133 23.71347       32.86913 
1 1 1 8   11  23 o 307.7355 14.55842 2305.477       213.5832 2294.378       284.2574 2319.866       323.6704 304.7657 19.61324 305.0058 22.35181 -0.2401123     29.73689 
1 1 1 8   11  24 o 55.21957 25.32888 -92.45530      151.7335 1.645740       247.1318 -149.3918      192.2325 79.54861 34.65124 59.58144 27.74101 19.96716       44.38775 
1 1 1 8   11  25 o 77.33686 27.23590 138.8516       125.1006 201.5383       159.1115 37.35926       202.4560 90.24502 30.77118 75.64439 32.12817 14.60063       44.48690 
1 1 1 8   11  26 o 168.5501 19.19319 710.7912       151.9101 597.5641       200.1088 864.7917       233.3739 150.2327 28.91006 182.1019 27.67583 -31.86919      40.02178 
1 1 1 8   11  27 o 207.5833 16.15169 1063.742       159.0339 1060.108       205.0114 1069.233       252.0099 204.9122 21.23415 202.8273 26.63134 2.084854       34.06049 
1 1 1 8   11  28 o 176.4357 17.89151 777.5280       148.8340 776.6407       190.0102 778.9365       239.4174 173.7381 23.47580 170.0348 30.57564 3.703308       38.54845 
1 1 1 8   11  29 o 145.8673 24.26454 554.3127       163.2727 644.9327       183.4062 208.2100       358.4302 157.0480 25.28551 104.5576 43.46948 52.49031       50.28869 
1 1 1 8   11  30 o 198.8126 20.65266 1003.815       193.4466 1266.416       298.8636 814.4637       253.7812 217.3494 29.52374 172.0531 32.03077 45.29634       43.56169 
1 1 1 8   11  31 o 187.4016 18.66718 889.8770       165.0257 960.7325       220.4287 799.5182       248.9238 190.8987 24.73301 168.8094 32.01444 22.08926       40.45549 
1 1 1 8   11  32 o 153.2284 21.60852 613.1858       153.9073 588.3248       203.9876 646.0417       234.5047 144.2828 30.52609 148.9030 33.72652 -4.620132      45.48978 
1 1 1 8   11  33 o 153.2776 22.40419 621.6783       159.3289 448.5563       208.2659 865.9850       247.4057 122.1379 34.27605 174.5378 30.77329 -52.39986      46.06347 
1 1 1 8   11  34 o 60.35762 26.38679 12.11575       144.4242 -272.7759      187.2878 430.0517       226.8426 49.58806 24.19528 115.9941 36.59624 -66.40602      43.87137 
1 1 1 8   11  35 f 95.83177 30.03976 280.9924       153.0827 418.0073       200.4091 89.06486       237.1931 113.1848 34.17502 76.63634 33.65075 36.54843       47.96149 
1 1 1 8   11  36 o 66.06487 29.53943 29.39163       191.1149 288.5884       332.9694 -97.95128      233.3871 92.79360 40.32330 62.90180 29.69009 29.89180       50.07464 
1 1 1 8   11  37 o 137.2898 24.59827 555.0045       155.5248 560.0163       222.4767 550.2144       217.4984 123.8409 35.65272 123.4233 35.16254 0.4176254      50.07514 
1 1 1 8   11  38 o 65.80524 27.55841 110.8499       145.6149 125.9453       208.0641 96.35825       203.8612 70.70099 31.26124 68.17722 30.49448 2.523773       43.67125 
1 1 1 8   12  0  o 130.3006 9.411332 408.9383       58.23307 447.5721       81.47280 368.5867       83.26441 135.9541 12.68090 122.9973 14.43408 12.95680       19.21322 
1 1 1 8   12  1  o 215.0875 7.797801 1109.128       80.05277 1180.428       152.5695 1082.041       94.03712 221.1294 14.51174 212.3102 9.286928 8.819290       17.22898 
1 1 1 8   12  2  o 253.9977 9.124780 1547.562       110.6252 1590.664       188.5728 1524.945       136.6006 256.6967 15.43696 251.8895 11.37249 4.807190       19.17377 
1 1 1 8   12  3  o 375.7315 14.05921 3396.912       252.1044 0.000000       0.000000 3396.912       252.1044 ?        ?        375.7315 14.05921 0.000000       14.05921 
1 1 1 8   12  4  o 234.1714 8.596781 1315.142       96.08160 0.000000       0.000000 1315.142       96.08160 ?        ?        234.1714 8.596781 0.000000       8.596781 
1 1 1 8   12  5  f 828.2684 28.69315 16776.37       1134.492 0.000000       0.000000 16776.37       1134.492 ?        ?        828.2684 28.69315 0.000000       28.69315 
1 1 1 8   12  6  o 547.9249 19.29467 7257.146       504.6479 0.000000       0.000000 7257.146       504.6479 ?        ?        547.9249 19.29467 0.000000       19.29467 
1 1 1 8   12  7  o 787.1463 11.15585 14861.61       419.8232 0.000000       0.000000 14861.61       419.8232 ?        ?        787.1463 11.15585 0.000000       11.15585 
1 1 1 8   12  8  o 183.1559 9.076118 805.7119       79.22724 0.000000       0.000000 805.7119       79.22724 ?        ?        183.1559 9.076118 0.000000       9.076118 
1 1 1 8   12  9  o 149.0457 8.772420 534.0413       62.23327 569.9153       108.6001 516.5007       75.93864 153.1870 15.02151 146.3361 10.93336 6.850861       18.57913 
1 1 1 8   12  10 o 367.5562 10.34274 3242.399       181.5665 3220.874       350.9243 3250.268       212.1732 364.2846 20.22894 367.7342 12.08477 -3.449554      23.56378 
1 1 1 8   12  11 o 80.34993 18.32346 162.1106       68.82282 210.1255       81.08652 38.40459       130.1535 91.55764 19.14148 64.65910 26.46776 26.89854       32.66403 
1 1 1 8   12  12 o 140.4438 12.63185 477.8292       83.91076 549.3641       109.6994 376.9513       130.2697 150.2060 15.49824 122.5600 23.07895 27.64601       27.79988 
1 1 1 8   12  13 o 151.9933 13.51810 560.2522       97.20721 602.7487       134.0164 513.0717       141.2090 156.8233 18.21309 143.8673 21.16186 12.95599       27.92027 
1 1 1 8   12  14 o 270.4380 12.25159 1762.332       157.9934 2010.854       215.6030 1474.098       232.1909 288.2005 15.70711 245.6097 19.94537 42.59084       25.38762 
1 1 1 8   12  15 o 426.6378 12.63569 4384.934       257.4469 4807.083       486.8201 4221.037       303.3336 442.7981 23.07574 417.8563 15.20934 24.94177       27.63718 
1 1 1 8   12  16 o 164.2229 14.54358 656.0358       113.0069 688.1768       132.2659 569.1425       217.4758 167.7752 16.71168 148.2865 31.64081 19.48875       35.78297 
1 1 1 8   12  17 o 244.5774 12.75555 1445.688       148.6348 1471.768       201.0511 1414.255       220.7265 245.6882 17.22560 240.1894 19.38631 5.498825       25.93357 
1 1 1 8   12  18 f 584.2019 11.47322 8219.239       320.4474 8601.586       354.9474 6534.261       745.1309 597.2513 12.43079 508.5641 30.79058 88.68723       33.20519 
1 1 1 8   12  19 o 312.5699 14.24697 2369.675       212.3414 2637.720       296.4592 2087.289       304.2859 328.0088 18.98589 290.3585 22.08560 37.65030       29.12453 
1 1 1 8   12  20 o 51.17448 21.97155 -1.512256      96.53690 -67.74258      121.7194 110.7873       158.4968 50.48709 22.97751 77.92609 30.05972 -27.43901      37.83586 
1 1 1 8   12  21 o 400.9105 14.75944 3908.156       282.4124 4579.484       465.8969 3518.195       355.0857 429.1062 22.79172 377.8452 19.72502 51.26105       30.14198 
1 1 1 8   12  22 o 290.0233 14.71043 2049.047       203.3040 2213.827       276.0469 1853.723       300.5430 299.4597 19.38546 271.9713 23.33946 27.48834       30.34018 
1 1 1 8   12  23 o 137.7228 22.71914 483.1417       144.3797 481.4191       162.4875 489.6039       314.7158 136.3135 25.87914 132.7929 43.22919 3.520569       50.38345 
1 1 1 8   12  24 o 213.6195 15.64655 1119.659       158.6883 1141.434       207.6136 1089.064       246.1016 213.7334 20.57152 206.3960 25.48095 7.337341       32.74854 
1 1 1 8   12  25 f 252.1014 17.00993 1566.948       203.8150 1402.908       244.1569 1944.012       370.1705 236.1384 21.87553 273.6267 28.72438 -37.48833      36.10580 
1 1 1 8   12  26 o 256.8579 15.87390 1623.454       193.9804 1618.819       256.8872 1629.604       295.8878 253.5852 21.38820 252.2497 24.85778 1.335449       32.79274 
1 1 1 8   12  27 o 67.93893 29.17193 18.84644       170.2063 -3.730748      280.4483 32.01172       214.1574 82.13789 36.30718 75.98820 32.67657 6.149681       48.84639 
1 1 1 8   12  28 o 120.5272 29.04058 393.9191       165.3505 409.5379       184.6516 330.7064       371.4766 121.9329 31.46505 114.9440 45.52317 6.988953       55.33903 
1 1 1 8   12  29 o 229.7508 17.25253 1313.835       188.1197 1196.592       254.8622 1454.171       278.8337 214.3971 25.35445 236.8111 25.00548 -22.41397      35.61070 
1 1 1 8   12  30 o 192.4782 19.19248 938.7987       174.2606 890.0740       234.7315 998.6242       260.0997 181.9310 27.87381 191.8126 29.29039 -9.881577      40.43361 
1 1 1 8   12  31 o 81.08794 28.20805 169.7430       133.9344 241.5561       168.9167 48.14948       219.7991 93.67945 31.70830 76.03947 32.90333 17.63998       45.69513 
1 1 1 8   12  32 o 71.45353 29.12213 89.17360       156.7296 126.5476       173.2436 -79.30378      367.8267 77.73673 30.99032 83.16606 38.60314 -5.429329      49.50356 
1 1 1 8   12  33 o 98.90396 31.61599 286.7904       168.8331 249.4833       188.4926 438.1714       379.6942 93.39151 33.37783 113.9395 45.72453 -20.54800      56.61105 
1 1 1 8   12  34 o 81.12222 29.27675 183.9156       145.4152 309.5116       189.3267 3.236820       227.0792 99.29144 33.56952 70.16696 31.71483 29.12448       46.18163 
1 1 1 8   12  35 o 119.3020 33.44482 468.5860       198.3977 603.6123       325.3158 388.6258       250.3416 120.5817 43.75197 103.6093 38.25324 16.97234       58.11665 
1 1 1 8   12  36 o 57.51307 25.86491 0.1594640      148.8640 -42.18177      193.1737 62.07069       233.5882 60.46934 28.03601 71.62804 32.28986 -11.15870      42.76275 
1 1 1 8   12  37 o 67.70093 28.44320 114.4582       155.8814 227.6032       203.5450 -46.02386      242.4130 81.06339 33.13128 63.43217 30.03543 17.63121       44.71922 
1 1 1 8   13  0  o 140.5059 9.307691 475.3556       62.17128 465.0205       85.02834 487.2287       91.13599 138.4832 12.99457 141.6828 13.62207 -3.199646      18.82604 
1 1 1 8   13  1  o 44.41647 13.62051 47.45280       31.66846 119.6296       55.24190 12.12177       38.64988 69.06068 16.87674 35.68249 14.49196 33.37819       22.24503 
1 1 1 8   13  2  o 246.5451 7.258456 1456.734       85.46256 1487.453       123.0501 1428.106       118.7872 248.8062 10.36729 243.8022 10.21379 5.004013       14.55342 
1 1 1 8   13  3  o 226.6094 8.826720 1232.424       95.44524 0.000000       0.000000 1232.424       95.44524 ?        ?        226.6094 8.826720 0.000000       8.826720 
1 1 1 8   13  4  o 255.9207 9.081127 1571.675       110.9340 0.000000       0.000000 1571.675       110.9340 ?        ?        255.9207 9.081127 0.000000       9.081127 
1 1 1 8   13  5  o 239.8012 11.35848 1383.314       129.8506 0.000000       0.000000 1383.314       129.8506 ?        ?        239.8012 11.35848 0.000000       11.35848 
1 1 1 8   13  6  o 411.6013 15.57109 4087.183       305.8583 0.000000       0.000000 4087.183       305.8583 ?        ?        411.6013 15.57109 0.000000       15.57109 
1 1 1 8   13  7  o 251.7853 12.05670 1526.159       144.7116 0.000000       0.000000 1526.159       144.7116 ?        ?        251.7853 12.05670 0.000000       12.05670 
1 1 1 8   13  8  o 381.8832 10.98382 3503.322       200.3277 0.000000       0.000000 3503.322       200.3277 ?        ?        381.8832 10.98382 0.000000       10.98382 
1 1 1 8   13  9  o 213.0990 11.16295 1093.286       113.3318 0.000000       0.000000 1093.286       113.3318 ?        ?        213.0990 11.16295 0.000000       11.16295 
1 1 1 8   13  10 o 204.4720 9.493293 1004.917       92.54910 848.1603       155.4475 1090.994       115.1896 186.4804 17.64571 212.8234 11.36220 -26.34305      20.98739 
1 1 1 8   13  11 o 221.8722 9.583479 1183.181       101.4166 1230.244       171.0667 1157.675       125.9342 225.1781 15.99437 219.1128 12.06835 6.065247       20.03659 
1 1 1 8   13  12 o 302.6460 13.03719 2209.022       188.1947 2142.116       260.6229 2281.919       272.0392 296.7014 18.46470 306.2050 18.67154 -9.503601      26.25970 
1 1 1 8   13  13 o 138.3154 13.06845 464.7884       85.39314 544.0101       110.5222 347.4484       134.5087 149.2418 15.72609 116.8789 24.83819 32.36290       29.39806 
1 1 1 8   13  14 o 81.22716 24.12276 164.6139       100.4781 255.0244       174.8122 120.0089       122.7874 101.2126 32.15051 74.99277 26.92321 26.21987       41.93464 
1 1 1 8   13  15 o 238.4952 12.82522 1374.966       145.6977 1213.256       201.0426 1553.845       211.4460 222.4544 19.08768 252.3712 17.63572 -29.91678      25.98766 
1 1 1 8   13  16 o 39.19044 18.63754 -117.6108      95.34026 35.62463       156.9062 -207.3013      120.0421 68.92281 28.71625 40.18669 19.55501 28.73612       34.74222 
1 1 1 8   13  17 o 165.0323 13.43482 662.3309       105.0846 792.7853       136.4326 472.0572       164.7699 180.0478 16.01673 135.6380 26.35893 44.40981       30.84362 
1 1 1 8   13  18 o 148.9711 16.32287 545.8018       114.3525 427.0351       163.2512 660.2117       160.2290 128.3299 27.43963 162.6041 21.10882 -34.27417      34.61959 
1 1 1 8   13  19 o 434.9507 10.32271 4556.058       214.6556 4851.645       287.2445 4182.219       323.0355 447.4930 13.44156 414.1129 16.34848 33.38007       21.16479 
1 1 1 8   13  20 o 306.7486 14.41140 2288.522       210.7566 2642.663       292.9503 1908.576       303.4359 327.7626 18.77356 276.2825 23.18603 51.48004       29.83351 
1 1 1 8   13  21 f 325.4995 14.72915 2580.138       228.6176 2423.130       312.0661 2762.015       335.8731 312.4586 21.01252 333.5841 21.16936 -21.12555      29.82730 
1 1 1 8   13  22 o 62.60787 25.29022 50.73027       116.9827 75.86440       127.3583 -84.94367      295.8990 68.01121 26.74185 80.49881 36.31071 -12.48760      45.09539 
1 1 1 8   13  23 o 131.5640 20.44577 437.8068       124.4282 458.8510       157.1857 402.4880       203.6336 132.8292 25.68113 121.7179 33.79575 11.11132       42.44612 
1 1 1 8   13  24 o 208.7239 17.74466 1079.426       175.3943 1116.538       203.4080 971.8383       346.3318 211.1321 20.40540 185.3196 40.24488 25.81248       45.12239 
1 1 1 8   13  25 o 97.89939 26.32170 253.8708       125.8468 182.3885       156.0338 386.9161       212.8721 86.51464 30.42154 118.2479 35.11021 -31.73325      46.45640 
1 1 1 8   13  26 o 183.4963 21.38050 854.6740       184.0561 742.8221       271.0544 950.3747       250.7222 162.8035 35.80064 189.5630 28.55020 -26.75949      45.79083 
1 1 1 8   13  27 o 159.5056 25.49467 665.4091       187.8735 598.4008       281.1281 719.4865       252.5501 143.1692 39.69286 161.0620 33.87369 -17.89282      52.18189 
1 1 1 8   13  28 o 56.19599 24.86794 -23.79485      131.9231 39.81191       162.0606 -148.7389      227.1347 68.40211 28.88422 64.76437 30.15425 3.637741       41.75616 
1 1 1 8   13  29 o 90.81364 29.70211 220.3610       148.4870 358.4173       189.3719 -0.3746715E-05 239.2515 112.4883 33.04206 75.76048 33.50923 36.72784       47.06002 
1 1 1 8   13  30 f 57.03536 25.32980 -21.26122      138.0830 -10.42001      148.2920 -91.96442      378.7026 60.03296 26.47454 84.93634 39.33634 -24.90339      47.41570 
1 1 1 8   13  31 o 70.99034 27.18588 110.7176       128.9875 108.9204       155.6309 114.6607       230.5245 73.79521 29.38803 82.29478 34.58274 -8.499573      45.38306 
1 1 1 8   13  32 o 69.53246 27.16854 102.0874       130.7587 25.03791       159.7966 258.2285       227.4789 64.60526 28.00504 95.76560 36.23801 -31.16034      45.79821 
1 1 1 8   13  33 o 56.15073 24.92989 -7.416849      133.6628 -137.9671      165.4511 237.8818       226.7923 52.17397 24.73664 91.12659 35.72907 -38.95262      43.45650 
1 1 1 8   13  34 o 55.93548 25.06755 -9.568870      138.4805 -216.2594      172.8512 360.8438       231.3956 48.56512 23.59386 102.0893 36.91957 -53.52419      43.81466 
1 1 1 8   13  35 o 90.70785 33.54366 273.4917       192.6287 610.4594       314.4117 71.00297       243.7278 119.8018 43.07341 73.60986 33.10045 46.19197       54.32273 
1 1 1 8   13  36 o 50.84070 23.83016 -67.64409      145.7883 -43.39652      187.2220 -104.9951      232.3667 58.40704 27.25508 60.23539 28.77097 -1.828358      39.63090 
1 1 1 8   13  37 o 80.72921 32.06055 239.4471       184.7285 124.2948       204.8996 739.4373       426.9583 69.93127 30.96678 102.9882 45.18703 -33.05694      54.77964 
1 1 1 8   14  0  o 394.2731 9.265194 3729.264       174.6465 3365.254       374.1716 3830.656       197.4776 371.1862 21.17267 399.2878 10.35357 -28.10165      23.56859 
1 1 1 8   14  1  o 165.6371 7.596174 658.7496       59.99335 523.7192       101.0636 732.2231       74.54946 146.6734 14.60630 174.5039 8.965806 -27.83047      17.13854 
1 1 1 8   14  2  o 343.2821 8.291862 2824.747       136.0854 2713.693       306.5828 2851.996       151.8663 333.9122 19.28675 344.6992 9.223659 -10.78702      21.37884 
1 1 1 8   14  3  o 383.2339 9.313866 3522.936       170.6484 0.000000       0.000000 3522.936       170.6484 ?        ?        383.2339 9.313866 0.000000       9.313866 
1 1 1 8   14  4  o 147.3161 10.27574 523.4507       71.91846 0.000000       0.000000 523.4507       71.91846 ?        ?        147.3161 10.27574 0.000000       10.27574 
1 1 1 8   14  5  o 160.9846 10.74079 625.0922       82.19347 0.000000       0.000000 625.0922       82.19347 ?        ?        160.9846 10.74079 0.000000       10.74079 
1 1 1 8   14  6  o 149.1459 11.14567 537.3492       78.89944 0.000000       0.000000 537.3492       78.89944 ?        ?        149.1459 11.14567 0.000000       11.14567 
1 1 1 8   14  7  o 291.5626 12.64069 2049.255       175.7834 0.000000       0.000000 2049.255       175.7834 ?        ?        291.5626 12.64069 0.000000       12.64069 
1 1 1 8   14  8  o 373.8911 13.92042 3373.730       248.3973 0.000000       0.000000 3373.730       248.3973 ?        ?        373.8911 13.92042 0.000000       13.92042 
1 1 1 8   14  9  f 154.7249 10.45695 577.5950       76.89800 0.000000       0.000000 577.5950       76.89800 ?        ?        154.7249 10.45695 0.000000       10.45695 
1 1 1 8   14  10 o 282.9442 9.346027 1923.415       126.2524 0.000000       0.000000 1923.415       126.2524 ?        ?        282.9442 9.346027 0.000000       9.346027 
1 1 1 8   14  11 f 95.99028 12.40993 225.4774       55.62000 324.0877       92.75198 170.1061       69.50311 114.3459 17.52429 82.14878 18.17839 32.19708       25.24985 
1 1 1 8   14  12 o 341.2361 11.75137 2806.096       191.4270 2835.363       327.7668 2790.946       235.8263 340.3442 20.23499 339.5822 14.55958 0.7620239      24.92863 
1 1 1 8   14  13 o 125.5885 13.69897 385.1833       80.92000 420.4990       103.4837 329.6055       129.8189 130.5847 16.97720 113.5409 24.62562 17.04377       29.91063 
1 1 1 8   14  14 o 144.3478 14.93057 509.5630       101.5517 487.8886       143.5451 531.2802       143.6866 139.3123 22.30431 145.8160 21.23447 -6.503723      30.79586 
1 1 1 8   14  15 o 233.0531 13.04908 1315.782       144.8123 1472.679       200.3000 1143.964       209.6079 245.4418 17.17808 215.0764 20.63776 30.36540       26.85151 
1 1 1 8   14  16 o 384.9379 11.89083 3577.980       218.5698 3787.582       263.9697 3120.905       389.8077 395.3069 13.98932 354.5381 23.12360 40.76883       27.02595 
1 1 1 8   14  17 o 149.6139 15.33780 549.1490       108.1579 650.1248       146.6144 428.5868       160.2041 161.7845 19.33786 128.5727 26.92684 33.21179       33.15128 
1 1 1 8   14  18 o 81.46371 22.48016 169.5919       90.40755 241.3850       98.43598 -217.4514      228.5557 97.03895 21.75635 62.63057 29.50664 34.40837       36.66034 
1 1 1 8   14  19 f 139.2486 18.05169 482.1468       117.3503 750.9036       168.4720 228.8518       163.5541 173.3389 20.74056 95.26709 31.17351 78.07178       37.44273 
1 1 1 8   14  20 o 207.5820 13.22636 1048.372       130.5791 1007.384       170.6777 1106.226       202.7763 202.0214 17.85502 210.7969 20.37442 -8.775497      27.09093 
1 1 1 8   14  21 o 242.5343 15.38910 1439.634       177.5208 1486.311       221.5518 1355.921       296.7014 244.9474 19.06896 229.5827 27.58339 15.36472       33.53310 
1 1 1 8   14  22 o 120.1301 21.26496 368.1761       117.6621 343.9684       147.7910 410.0800       194.4461 114.0768 27.43562 123.0559 32.55371 -8.979050      42.57297 
1 1 1 8   14  23 o 72.40511 27.19497 107.8552       127.5778 111.4281       139.2570 89.19467       318.2482 74.49144 28.31493 93.89800 40.09402 -19.40656      49.08427 
1 1 1 8   14  24 o 82.49606 26.35665 173.7204       117.3464 98.35338       143.9556 322.9811       202.5866 73.08780 28.52137 109.0039 34.60868 -35.91605      44.84673 
1 1 1 8   14  25 o 59.90823 25.72575 8.851781       132.3876 -4.875598      143.1217 90.20614       348.4191 60.60544 26.38513 95.85360 41.45180 -35.24816      49.13682 
1 1 1 8   14  26 o 193.1526 20.45011 942.8637       185.9796 1153.669       270.5359 753.9731       256.0883 209.4359 27.69704 165.1975 33.57085 44.23840       43.52158 
1 1 1 8   14  27 o 225.2230 16.56709 1258.802       177.1403 1141.801       226.9866 1441.056       283.2971 210.9901 22.86761 235.3373 25.59087 -24.34721      34.31939 
1 1 1 8   14  28 o 129.9882 27.88082 460.1811       168.0718 436.1727       184.3499 578.3998       409.0762 124.8256 31.02545 133.5150 48.96676 -8.689423      57.96829 
1 1 1 8   14  29 o 145.7538 27.83637 582.2335       186.9012 1090.204       296.4354 247.0647       240.7922 196.2966 32.73948 97.20505 37.16423 99.09154       49.52831 
1 1 1 8   14  30 o 274.6391 16.80001 1897.363       219.5318 2135.388       291.0464 1583.195       334.3729 287.1136 21.35608 238.3930 30.00079 48.72060       36.82566 
1 1 1 8   14  31 o 159.0127 20.90178 662.3421       155.0561 795.4614       182.6739 319.2118       293.2820 173.2322 22.59459 103.8382 40.65479 69.39404       46.51158 
1 1 1 8   14  32 o 67.84780 28.03552 79.66563       147.8285 2.206727       159.0002 573.4902       401.4657 61.49850 27.25331 120.6899 47.47176 -59.19141      54.73857 
1 1 1 8   14  33 o 200.6122 18.43606 1057.137       174.8452 1168.558       223.9357 883.1404       279.8409 205.8650 23.15366 162.9794 36.78960 42.88554       43.46915 
1 1 1 8   14  34 o 110.6789 27.61786 372.6457       145.6586 385.4981       180.7577 348.8451       245.9794 107.8974 32.42926 98.14036 37.55234 9.757019       49.61688 
1 1 1 8   14  35 o 76.09221 31.41030 166.8947       185.3061 59.79110       285.8431 244.5372       243.3747 73.64436 34.13046 84.67062 35.55438 -11.02627      49.28491 
1 1 1 8   14  36 o 104.2912 29.15781 371.0594       151.0123 626.9133       189.1951 -78.10457      250.6780 136.6665 29.79814 61.65313 29.56455 75.01341       41.97609 
1 1 1 8   15  0  o 196.6430 8.649988 929.6744       81.12194 990.3766       135.6103 895.8481       101.2319 202.0331 14.12888 192.6757 11.03576 9.357391       17.92801 
1 1 1 8   15  1  o 127.1101 8.310699 389.2053       50.22706 367.9503       79.67900 403.2202       64.70084 122.7253 13.82003 129.0883 10.57636 -6.362946      17.40266 
1 1 1 8   15  2  o 220.6404 10.93727 1173.467       115.0128 0.000000       0.000000 1173.467       115.0128 ?        ?        220.6404 10.93727 0.000000       10.93727 
1 1 1 8   15  3  o 30.71098 13.07512 -0.5819704E-01 33.67070 0.000000       0.000000 -0.5819704E-01 33.67070 ?        ?        30.71098 13.07512 0.000000       13.07512 
1 1 1 8   15  4  o 212.9553 11.23326 1093.782       113.9629 0.000000       0.000000 1093.782       113.9629 ?        ?        212.9553 11.23326 0.000000       11.23326 
1 1 1 8   15  5  o 278.5974 8.968362 1864.680       119.2978 0.000000       0.000000 1864.680       119.2978 ?        ?        278.5974 8.968362 0.000000       8.968362 
1 1 1 8   15  6  o 398.6081 9.478362 3815.254       180.6291 0.000000       0.000000 3815.254       180.6291 ?        ?        398.6081 9.478362 0.000000       9.478362 
1 1 1 8   15  7  o 416.5945 9.501553 4167.786       189.2415 0.000000       0.000000 4167.786       189.2415 ?        ?        416.5945 9.501553 0.000000       9.501553 
1 1 1 8   15  8  o 409.3967 9.495240 4025.446       185.8483 0.000000       0.000000 4025.446       185.8483 ?        ?        409.3967 9.495240 0.000000       9.495240 
1 1 1 8   15  9  o 125.3448 11.35272 381.2073       67.29524 0.000000       0.000000 381.2073       67.29524 ?        ?        125.3448 11.35272 0.000000       11.35272 
1 1 1 8   15  10 f 224.2838 11.27745 1214.017       120.5373 0.000000       0.000000 1214.017       120.5373 ?        ?        224.2838 11.27745 0.000000       11.27745 
1 1 1 8   15  11 o 163.7774 8.631523 645.7358       67.34630 607.3613       109.6763 668.9629       85.32732 157.7485 14.71215 166.3816 10.78501 -8.633118      18.24181 
1 1 1 8   15  12 o 78.70089 17.31681 156.4554       63.38433 73.88792       121.7084 187.1836       74.24786 67.25637 26.23099 85.99908 18.60047 -18.74271      32.15653 
1 1 1 8   15  13 o 89.45443 11.87013 196.2824       49.51342 128.1742       85.95796 230.1017       60.57159 72.14500 22.49445 96.65779 13.47328 -24.51279      26.22079 
1 1 1 8   15  14 f 233.5173 11.74215 1318.729       130.6710 1505.116       170.1724 1050.923       203.9818 248.8212 14.36626 205.6843 21.03960 43.13692       25.47655 
1 1 1 8   15  15 o 393.9732 15.65068 3778.956       294.2003 3854.752       409.4355 3698.047       423.0212 394.5828 21.78855 385.6689 23.04755 8.913879       31.71640 
1 1 1 8   15  16 o 331.6505 11.76019 2658.678       186.1724 2779.704       228.3571 2418.797       321.4953 338.2937 14.15052 312.1913 21.67458 26.10242       25.88483 
1 1 1 8   15  17 o 225.7246 13.49657 1238.716       144.9849 1306.684       198.2700 1160.602       212.5537 230.3278 18.15199 215.9707 20.84439 14.35706       27.64025 
1 1 1 8   15  18 o 225.8441 14.82405 1245.280       159.1755 1218.425       199.9832 1291.703       262.9393 221.8941 19.03495 225.9494 24.74511 -4.055344      31.21938 
1 1 1 8   15  19 o 130.8877 20.55924 432.8721       124.4152 306.1485       189.8770 528.2138       164.6968 107.6254 33.41274 143.2329 24.95768 -35.60749      41.70488 
1 1 1 8   15  20 o 302.1979 12.42134 2215.848       179.0777 2134.991       222.8940 2363.070       300.7629 295.2543 15.84850 308.2159 20.52784 -12.96167      25.93390 
1 1 1 8   15  21 o 80.77197 22.43385 168.3475       89.71371 237.1449       108.0859 15.97659       160.8549 95.31204 23.79486 66.48759 28.45009 28.82445       37.08912 
1 1 1 8   15  22 o 52.88873 21.83849 25.97303       89.61129 -56.95204      102.7604 289.2268       183.0923 46.19876 21.05927 104.0161 32.88622 -57.81733      39.05120 
1 1 1 8   15  23 o 113.9449 23.24933 338.3730       122.3588 361.2620       153.2958 298.1887       203.1160 116.0894 27.95603 105.3722 34.75345 10.71721       44.60204 
1 1 1 8   15  24 o 87.56985 26.79856 200.7199       122.6722 244.6636       151.9178 118.3738       207.9612 95.93121 29.90353 83.37415 33.70496 12.55705       45.05824 
1 1 1 8   15  25 o 75.51489 30.10784 98.94087       163.5351 506.1821       248.6325 -211.5747      217.1070 132.7575 37.51918 59.75101 28.33117 73.00646       47.01430 
1 1 1 8   15  26 o 359.5727 13.54287 3165.208       232.3961 3436.526       324.8602 2880.823       332.5915 371.0641 18.36925 337.7492 20.69659 33.31482       27.67270 
1 1 1 8   15  27 o 49.30612 22.84814 -87.23510      128.0404 -115.8176      154.8024 -25.32962      227.8203 53.03972 24.76130 72.06503 32.23482 -19.02531      40.64733 
1 1 1 8   15  28 o 102.3282 27.46024 290.0280       137.1281 222.4676       170.7652 412.6949       230.1002 90.95478 31.83729 117.3567 36.83519 -26.40195      48.68721 
1 1 1 8   15  29 o 102.4283 36.71845 305.8497       228.2928 615.1735       284.1122 -257.7874      383.5155 138.6353 40.40270 77.38122 36.96102 61.25408       54.75852 
1 1 1 8   15  30 o 102.6265 28.33254 300.4019       143.5721 178.7125       177.4004 531.4201       244.4281 83.95447 31.94736 129.9467 37.35777 -45.99228      49.15524 
1 1 1 8   15  31 o 67.34126 27.59115 82.39507       141.6003 207.9529       173.7478 -165.9379      244.3512 86.06769 31.85197 63.09597 29.95755 22.97171       43.72645 
1 1 1 8   15  32 o 99.91032 29.67981 307.1909       152.0863 574.5410       190.7080 -159.8951      252.0734 137.7384 29.82582 62.99123 30.05386 74.74715       42.34163 
1 1 1 8   15  33 o 85.36005 32.10072 227.6488       177.8771 216.4344       196.7125 277.9392       416.5687 84.18196 33.19360 92.93719 42.37848 -8.755226      53.83076 
1 1 1 8   15  34 o 92.12415 33.08189 298.1394       185.4006 271.6150       207.0303 405.5518       416.6180 87.92885 34.23484 94.64181 42.84987 -6.712959      54.84647 
1 1 1 8   15  35 o 65.58337 27.18141 110.9925       139.5329 96.15521       168.7326 143.0851       248.1559 66.02773 28.69836 73.85689 33.28923 -7.829163      43.95189 
1 1 1 8   16  0  f 163.0606 7.805113 639.3370       60.66996 672.7739       93.58397 615.0956       79.68317 166.6627 11.82178 159.5485 10.50482 7.114212       15.81473 
1 1 1 8   16  1  o 280.0446 6.735109 1879.755       90.17377 1794.213       143.0727 1936.130       116.1464 272.7728 10.99355 283.8497 8.568536 -11.07687      13.93836 
1 1 1 8   16  2  o 129.8372 10.95677 408.6604       67.37856 0.000000       0.000000 408.6604       67.37856 ?        ?        129.8372 10.95677 0.000000       10.95677 
1 1 1 8   16  3  o 280.5342 12.02574 1900.773       160.9149 0.000000       0.000000 1900.773       160.9149 ?        ?        280.5342 12.02574 0.000000       12.02574 
1 1 1 8   16  4  o 151.6353 11.35598 556.8769       81.72729 0.000000       0.000000 556.8769       81.72729 ?        ?        151.6353 11.35598 0.000000       11.35598 
1 1 1 8   16  5  o 93.62379 15.33777 217.7692       66.27747 0.000000       0.000000 217.7692       66.27747 ?        ?        93.62379 15.33777 0.000000       15.33777 
1 1 1 8   16  6  o 297.3754 9.308402 2127.048       132.1762 0.000000       0.000000 2127.048       132.1762 ?        ?        297.3754 9.308402 0.000000       9.308402 
1 1 1 8   16  7  o 315.2123 13.14791 2404.350       197.7032 0.000000       0.000000 2404.350       197.7032 ?        ?        315.2123 13.14791 0.000000       13.14791 
1 1 1 8   16  8  f 121.8534 10.84221 360.3044       62.50431 0.000000       0.000000 360.3044       62.50431 ?        ?        121.8534 10.84221 0.000000       10.84221 
1 1 1 8   16  9  o 253.4716 11.64303 1552.294       140.7155 0.000000       0.000000 1552.294       140.7155 ?        ?        253.4716 11.64303 0.000000       11.64303 
1 1 1 8   16  10 o 184.2686 10.63575 820.3226       93.29932 0.000000       0.000000 820.3226       93.29932 ?        ?        184.2686 10.63575 0.000000       10.63575 
1 1 1 8   16  11 o 145.5227 11.88330 514.2921       81.95613 0.000000       0.000000 514.2921       81.95613 ?        ?        145.5227 11.88330 0.000000       11.88330 
1 1 1 8   16  12 o 183.0571 8.877467 807.2264       77.46174 782.6536       136.0268 819.0193       94.23347 178.6790 16.09601 184.0649 10.75529 -5.385880      19.35866 
1 1 1 8   16  13 o 373.2745 12.12016 3368.649       216.0074 3682.411       373.0689 3210.416       264.9337 386.4438 20.26350 363.1816 15.29248 23.26218       25.38640 
1 1 1 8   16  14 o 215.3564 8.651957 1116.444       88.89872 1110.053       167.9308 1118.932       104.7856 212.7525 16.64236 215.3028 10.20899 -2.550247      19.52412 
1 1 1 8   16  15 o 93.35535 19.93537 222.2418       86.26974 229.1094       93.85396 184.8276       219.0636 94.52679 21.28201 93.69713 35.53711 0.8296585      41.42234 
1 1 1 8   16  16 o 195.1685 13.40409 927.6898       124.3112 1057.590       165.5215 759.6241       188.2733 207.3771 16.83974 173.2088 23.32837 34.16833       28.77134 
1 1 1 8   16  17 o 256.8368 13.36023 1604.269       163.4872 1719.298       217.7993 1455.803       247.4379 264.3963 17.32576 241.2740 21.68198 23.12224       27.75410 
1 1 1 8   16  18 o 108.6108 23.10144 305.0759       116.2632 168.8605       130.4809 829.9254       256.1246 82.94334 27.86806 176.8634 31.44261 -93.92006      42.01507 
1 1 1 8   16  19 o 88.72581 27.12069 203.5751       125.6863 104.4170       205.1308 263.1759       159.0351 82.41405 33.41750 99.87810 30.50293 -17.46404      45.24553 
1 1 1 8   16  20 f 108.7095 26.06712 312.3734       133.7248 273.4015       219.7019 335.3082       168.5406 103.1116 36.11073 111.4449 30.67030 -8.333351      47.37776 
1 1 1 8   16  21 o 75.33298 22.79901 144.9330       89.11995 51.55510       105.9332 371.0787       164.8558 60.18180 24.15158 117.2540 29.45146 -57.07216      38.08788 
1 1 1 8   16  22 o 146.1619 16.38318 531.4340       112.5150 654.2695       138.3611 291.6107       193.3293 161.6511 18.22007 104.1096 33.88112 57.54159       38.46948 
1 1 1 8   16  23 o 248.1377 14.56270 1511.234       172.0005 1528.208       218.3252 1483.464       279.2632 247.5313 18.58438 240.1358 24.67547 7.395477       30.89107 
1 1 1 8   16  24 o 160.5598 16.77507 642.8430       126.8708 648.7140       151.9156 629.3083       230.6583 159.7887 20.34689 150.6263 32.94909 9.162338       38.72517 
1 1 1 8   16  25 o 79.58073 30.38667 138.1577       160.8397 410.9760       228.9058 -127.8826      226.0445 119.1726 36.63290 65.45689 30.34125 53.71568       47.56638 
1 1 1 8   16  26 o 69.77657 31.11760 -19.26875      210.6261 -105.1348      252.9802 174.7307       380.2560 70.18616 32.37940 100.2572 43.33010 -30.07108      54.09180 
1 1 1 8   16  27 o 162.9085 20.05667 683.9960       152.9170 747.2167       190.1146 568.1392       257.3633 167.5709 24.45069 136.0756 38.07214 31.49533       45.24736 
1 1 1 8   16  28 o 55.01409 24.59024 -26.43174      132.3233 67.67812       157.9801 -247.6668      242.2210 69.14452 28.81194 60.39376 28.98715 8.750759       40.87032 
1 1 1 8   16  29 o 121.2363 36.63935 462.2017       230.2795 553.5798       281.4314 277.0762       400.5755 128.9898 40.77105 103.0520 44.50513 25.93787       60.35714 
1 1 1 8   16  30 o 71.08404 27.97168 115.2535       139.4357 5.863837       171.4830 328.6986       239.5389 63.43156 28.19565 100.9367 37.39120 -37.50511      46.83051 
1 1 1 8   16  31 o 79.61681 29.28811 181.2245       146.5254 12.16227       181.6258 496.3518       247.9689 64.23346 28.75310 117.6646 38.37682 -53.43114      47.95333 
1 1 1 8   16  32 o 62.17100 28.56940 -26.00411      194.2471 39.87087       298.0221 -74.65990      256.1270 75.91539 35.06571 66.36315 31.25607 9.552238       46.97388 
1 1 1 8   16  33 o 156.5363 23.60814 709.9240       171.1897 830.2548       216.7565 510.4382       279.0872 162.7587 28.91541 108.7077 40.34325 54.05101       49.63546 
1 1 1 8   16  34 o 112.6381 39.49337 576.5149       262.8401 564.2996       325.0172 599.6028       446.8344 102.8340 41.92772 96.27124 43.89578 6.562790       60.70234 
1 1 1 8   17  0  o 404.8813 7.525749 3933.278       145.6752 3734.645       203.9088 4140.339       208.1897 393.5908 10.84668 414.5376 10.51327 -20.94678      15.10560 
1 1 1 8   17  1  o 488.6004 14.44487 5789.488       337.0535 5730.012       581.0845 5819.645       413.7725 478.9411 25.46908 488.0935 17.76131 -9.152374      31.05057 
1 1 1 8   17  2  o 93.24899 14.18627 215.1697       61.25314 0.000000       0.000000 215.1697       61.25314 ?        ?        93.24899 14.18627 0.000000       14.18627 
1 1 1 8   17  3  o 290.2566 10.70479 2031.662       148.2942 0.000000       0.000000 2031.662       148.2942 ?        ?        290.2566 10.70479 0.000000       10.70479 
1 1 1 8   17  4  o 324.0699 13.14451 2542.878       203.2307 0.000000       0.000000 2542.878       203.2307 ?        ?        324.0699 13.14451 0.000000       13.14451 
1 1 1 8   17  5  o 89.35957 14.62973 198.3829       60.34001 0.000000       0.000000 198.3829       60.34001 ?        ?        89.35957 14.62973 0.000000       14.62973 
1 1 1 8   17  6  f 160.8467 11.25312 626.6279       85.98944 0.000000       0.000000 626.6279       85.98944 ?        ?        160.8467 11.25312 0.000000       11.25312 
1 1 1 8   17  7  o 41.00159 15.13606 32.27082       39.19199 0.000000       0.000000 32.27082       39.19199 ?        ?        41.00159 15.13606 0.000000       15.13606 
1 1 1 8   17  8  o 270.0810 12.76675 1767.016       164.3810 0.000000       0.000000 1767.016       164.3810 ?        ?        270.0810 12.76675 0.000000       12.76675 
1 1 1 8   17  9  o 323.5471 8.860509 2518.044       136.9290 0.000000       0.000000 2518.044       136.9290 ?        ?        323.5471 8.860509 0.000000       8.860509 
1 1 1 8   17  10 o 152.6987 11.11637 565.2274       80.59761 0.000000       0.000000 565.2274       80.59761 ?        ?        152.6987 11.11637 0.000000       11.11637 
1 1 1 8   17  11 o 281.1274 9.801180 1904.958       131.5301 0.000000       0.000000 1904.958       131.5301 ?        ?        281.1274 9.801180 0.000000       9.801180 
1 1 1 8   17  12 f 335.3337 13.79227 2731.498       220.6446 0.000000       0.000000 2731.498       220.6446 ?        ?        335.3337 13.79227 0.000000       13.79227 
1 1 1 8   17  13 o 315.1706 9.543044 2393.652       143.6284 0.000000       0.000000 2393.652       143.6284 ?        ?        315.1706 9.543044 0.000000       9.543044 
1 1 1 8   17  14 o 60.16794 15.33805 91.53254       44.24680 77.12426       83.12020 97.22980       52.26774 60.71762 22.10316 62.06826 17.07910 -1.350636      27.93287 
1 1 1 8   17  15 o 112.3105 13.25609 310.0740       69.80782 206.3954       145.8847 340.8640       79.50052 90.31825 29.43428 117.5354 14.45181 -27.21717      32.79073 
1 1 1 8   17  16 o 176.5142 15.18970 765.4356       126.9395 966.7882       147.5427 191.7124       249.0522 198.3510 15.68638 96.37935 37.54208 101.9717       40.68747 
1 1 1 8   17  17 o 286.6844 13.99183 2005.442       191.1936 2179.434       256.6557 1788.496       286.5913 296.8515 18.17144 266.2859 22.72868 30.56552       29.09972 
1 1 1 8   17  18 o 191.3271 13.71557 895.5996       124.6257 1013.129       158.0447 702.3632       202.6520 202.5618 16.46154 164.0326 26.76314 38.52922       31.42050 
1 1 1 8   17  19 o 49.93999 22.65219 -55.91344      117.0733 -286.5317      175.8077 127.8358       156.9292 48.44664 23.59475 78.77386 30.03043 -30.32722      38.19083 
1 1 1 8   17  20 o 158.8336 19.53857 635.6471       145.2462 656.7910       222.6198 619.9756       191.6582 155.9097 30.95848 153.3741 27.13004 2.535568       41.16390 
1 1 1 8   17  21 o 216.6345 16.57497 1161.585       170.3641 1165.989       204.6083 1151.631       307.6155 215.3399 20.10666 206.4722 32.21418 8.867661       37.97409 
1 1 1 8   17  22 o 199.2287 15.53439 980.7003       146.7946 1088.293       194.4671 838.1894       223.8096 207.8876 19.80536 178.3225 27.10426 29.56512       33.56923 
1 1 1 8   17  23 o 70.03036 23.95047 119.3818       96.40611 76.86610       112.7765 234.7731       185.7935 64.76535 25.25281 94.76145 33.20583 -29.99610      41.71728 
1 1 1 8   17  24 o 173.2496 18.10937 758.4838       147.7846 754.6560       185.7628 765.0834       243.9170 169.7897 23.51485 165.2009 32.03957 4.588791       39.74270 
1 1 1 8   17  25 o 148.8189 24.93669 591.9343       171.1501 595.3972       262.9568 589.3890       225.4375 139.7939 38.24490 142.6265 33.61491 -2.832565      50.91792 
1 1 1 8   17  26 o 74.45307 32.30072 44.82345       212.9396 60.01197       258.6580 12.88120       375.1033 80.88686 35.33816 88.79304 40.38206 -7.906181      53.66094 
1 1 1 8   17  27 o 209.8445 17.43163 1117.528       173.3040 1020.913       219.0885 1279.047       283.2752 195.6601 23.91784 215.1032 28.22606 -19.44308      36.99694 
1 1 1 8   17  28 o 62.12143 26.25106 44.57704       134.0180 -83.82172      159.5795 351.8672       246.8716 54.99070 25.49102 105.2768 38.12566 -50.28610      45.86238 
1 1 1 8   17  29 o 231.7095 18.74612 1403.120       205.8934 1384.715       232.5441 1469.895       442.9347 226.9728 21.69370 195.9546 47.72873 31.01822       52.42756 
1 1 1 8   17  30 o 40.70587 20.01071 -228.7929      135.5959 -350.6763      163.6741 37.89590       242.1086 41.31180 20.59740 72.35764 32.72218 -31.04584      38.66515 
1 1 1 8   17  31 o 196.4908 19.24526 1037.367       178.4740 691.9538       222.8318 1655.445       298.0775 145.6477 32.79330 237.0961 26.76362 -91.44838      42.32838 
1 1 1 8   17  32 o 64.62523 29.12831 41.23791       189.9978 198.7585       294.8351 -70.63549      248.4700 81.28554 36.49084 63.54588 30.18206 17.73965       47.35545 
1 1 1 8   17  33 o 50.31264 23.75683 -71.05216      149.6859 -60.48102      179.5029 -95.18308      271.2048 55.10538 26.01859 62.51265 30.17288 -7.407272      39.84181 
1 1 1 8   18  0  o 272.9993 7.033449 1789.372       91.72259 1790.705       142.6005 1788.431       119.7912 272.2508 10.97830 272.5038 9.208066 -0.2529602     14.32870 
1 1 1 8   18  1  o 304.4551 12.94426 2247.403       187.9822 0.000000       0.000000 2247.403       187.9822 ?        ?        304.4551 12.94426 0.000000       12.94426 
1 1 1 8   18  2  o 264.0649 11.44555 1686.190       144.1529 0.000000       0.000000 1686.190       144.1529 ?        ?        264.0649 11.44555 0.000000       11.44555 
1 1 1 8   18  3  o 84.34994 16.08387 178.8269       62.49441 0.000000       0.000000 178.8269       62.49441 ?        ?        84.34994 16.08387 0.000000       16.08387 
1 1 1 8   18  4  o 168.0804 11.86150 685.6786       94.70373 0.000000       0.000000 685.6786       94.70373 ?        ?        168.0804 11.86150 0.000000       11.86150 
1 1 1 8   18  5  o 230.8951 9.640832 1285.469       106.1894 0.000000       0.000000 1285.469       106.1894 ?        ?        230.8951 9.640832 0.000000       9.640832 
1 1 1 8   18  6  o 295.4123 12.67641 2115.219       178.6164 0.000000       0.000000 2115.219       178.6164 ?        ?        295.4123 12.67641 0.000000       12.67641 
1 1 1 8   18  7  o 204.5683 11.72697 1014.136       114.2113 0.000000       0.000000 1014.136       114.2113 ?        ?        204.5683 11.72697 0.000000       11.72697 
1 1 1 8   18  8  o 139.1744 11.58370 471.0076       76.37714 0.000000       0.000000 471.0076       76.37714 ?        ?        139.1744 11.58370 0.000000       11.58370 
1 1 1 8   18  9  o 162.0019 11.81738 637.6410       90.89758 0.000000       0.000000 637.6410       90.89758 ?        ?        162.0019 11.81738 0.000000       11.81738 
1 1 1 8   18  10 o 185.9734 10.09252 836.0693       89.39812 0.000000       0.000000 836.0693       89.39812 ?        ?        185.9734 10.09252 0.000000       10.09252 
1 1 1 8   18  11 o 137.8708 12.06122 463.3481       78.70108 0.000000       0.000000 463.3481       78.70108 ?        ?        137.8708 12.06122 0.000000       12.06122 
1 1 1 8   18  12 o 173.4916 12.17314 732.2622       100.3285 0.000000       0.000000 732.2622       100.3285 ?        ?        173.4916 12.17314 0.000000       12.17314 
1 1 1 8   18  13 f 114.5315 13.15356 322.4506       70.71815 0.000000       0.000000 322.4506       70.71815 ?        ?        114.5315 13.15356 0.000000       13.15356 
1 1 1 8   18  14 o 163.7640 11.69198 652.4579       90.93864 0.000000       0.000000 652.4579       90.93864 ?        ?        163.7640 11.69198 0.000000       11.69198 
1 1 1 8   18  15 o 71.43184 17.77058 130.5144       60.43938 250.6975       88.99626 27.63731       82.33971 99.03118 19.49145 51.43377 21.05281 47.59741       28.69037 
1 1 1 8   18  16 o 136.6161 10.31572 453.3817       66.87884 493.9263       117.1590 433.7839       81.45401 140.5096 17.84239 132.9939 12.97552 7.515625       22.06161 
1 1 1 8   18  17 o 131.0033 11.37521 418.6736       70.53879 423.4191       117.8931 416.0274       88.03581 129.2526 19.70027 129.7994 14.43022 -0.5467987     24.41991 
1 1 1 8   18  18 o 330.4168 11.87484 2651.580       187.2800 2753.286       224.7038 2420.214       338.9127 335.6594 14.03338 308.9425 23.11325 26.71686       27.03994 
1 1 1 8   18  19 o 38.76613 18.84944 -182.9748      110.9605 -202.8275      153.4453 -161.2152      160.6460 47.84272 22.99122 51.85619 24.52335 -4.013466      33.61534 
1 1 1 8   18  20 o 161.3601 15.07513 644.1219       114.9502 594.0504       139.5196 749.9448       202.8286 153.1925 19.49043 169.0811 25.91641 -15.88860      32.42741 
1 1 1 8   18  21 o 85.53631 25.65877 193.8519       113.2417 383.2276       143.4566 -119.2550      184.4610 119.5852 25.84695 58.87429 27.33091 60.71086       37.61706 
1 1 1 8   18  22 o 148.2533 17.09879 553.7177       118.9755 694.8877       146.6034 281.3750       203.6248 165.4028 18.87683 100.8284 34.79630 64.57435       39.58684 
1 1 1 8   18  23 o 69.71204 25.65640 111.4887       112.4617 93.13211       120.2986 238.7648       316.7660 67.76550 26.17541 100.5967 41.24771 -32.83122      48.85209 
1 1 1 8   18  24 o 38.51573 18.44995 -122.4504      97.05630 -43.26068      110.9256 -381.0539      200.4541 48.83222 22.10968 48.32016 23.86351 0.5120621      32.53160 
1 1 1 8   18  25 o 65.50074 27.98029 37.82981       155.1095 -77.87769      230.5921 133.4480       209.6206 67.66364 31.10596 81.95113 33.57291 -14.28749      45.76812 
1 1 1 8   18  26 o 134.1651 28.67168 513.4479       178.3280 313.8771       266.8094 674.5829       239.7440 101.9561 39.08556 149.2843 34.31113 -47.32818      52.00898 
1 1 1 8   18  27 o 76.34097 28.20897 153.5958       136.1844 236.9760       162.6767 -41.71650      248.9765 89.63048 31.09304 70.07245 32.25297 19.55803       44.79990 
1 1 1 8   18  28 o 57.47452 25.31276 11.05800       135.1427 60.94001       160.2348 -111.8599      251.5315 66.08920 28.33980 65.26140 30.80952 0.8278046      41.86133 
1 1 1 8   18  29 o 121.8599 29.91231 462.5628       172.9557 420.4427       187.9202 695.8763       442.2816 112.8819 32.84781 117.3999 48.50027 -4.517937      58.57692 
1 1 1 8   18  30 o 93.47650 33.81785 305.5246       194.1721 445.5807       289.8387 191.4836       261.5386 103.2014 40.41249 81.97286 35.67791 21.22850       53.90809 
1 1 1 8   18  31 o 118.2126 28.05189 449.4293       156.1412 451.2240       189.9144 445.6856       274.2940 111.4976 33.17706 99.61577 39.22186 11.88180       51.37190 
1 1 1 8   19  0  o 214.2749 9.028169 1106.878       92.27946 1065.318       152.0063 1131.134       116.1269 208.5457 15.35350 216.1072 11.27875 -7.561493      19.05098 
1 1 1 8   19  1  o 265.2034 9.492347 1696.043       120.1600 0.000000       0.000000 1696.043       120.1600 ?        ?        265.2034 9.492347 0.000000       9.492347 
1 1 1 8   19  2  o 98.63821 12.87661 239.6235       59.27493 0.000000       0.000000 239.6235       59.27493 ?        ?        98.63821 12.87661 0.000000       12.87661 
1 1 1 8   19  3  o 185.3021 11.07246 832.1737       97.64444 0.000000       0.000000 832.1737       97.64444 ?        ?        185.3021 11.07246 0.000000       11.07246 
1 1 1 8   19  4  o 190.8495 11.14496 882.7953       101.2475 0.000000       0.000000 882.7953       101.2475 ?        ?        190.8495 11.14496 0.000000       11.14496 
1 1 1 8   19  5  f 145.7923 12.53493 518.5930       86.52317 0.000000       0.000000 518.5930       86.52317 ?        ?        145.7923 12.53493 0.000000       12.53493 
1 1 1 8   19  6  o 387.1925 15.36789 3662.740       283.9134 0.000000       0.000000 3662.740       283.9134 ?        ?        387.1925 15.36789 0.000000       15.36789 
1 1 1 8   19  7  o 61.12130 20.40606 88.38869       69.97307 0.000000       0.000000 88.38869       69.97307 ?        ?        61.12130 20.40606 0.000000       20.40606 
1 1 1 8   19  8  o 296.2499 13.06824 2133.968       184.6349 0.000000       0.000000 2133.968       184.6349 ?        ?        296.2499 13.06824 0.000000       13.06824 
1 1 1 8   19  9  o 159.6993 11.18556 619.5083       84.86221 0.000000       0.000000 619.5083       84.86221 ?        ?        159.6993 11.18556 0.000000       11.18556 
1 1 1 8   19  10 o 67.60062 15.71430 116.0603       49.82027 0.000000       0.000000 116.0603       49.82027 ?        ?        67.60062 15.71430 0.000000       15.71430 
1 1 1 8   19  11 o 110.6010 14.63925 303.1542       75.50907 0.000000       0.000000 303.1542       75.50907 ?        ?        110.6010 14.63925 0.000000       14.63925 
1 1 1 8   19  12 o 176.9496 12.88695 764.2166       108.2731 0.000000       0.000000 764.2166       108.2731 ?        ?        176.9496 12.88695 0.000000       12.88695 
1 1 1 8   19  13 o 157.2130 12.53096 603.4791       93.40597 0.000000       0.000000 603.4791       93.40597 ?        ?        157.2130 12.53096 0.000000       12.53096 
1 1 1 8   19  14 o 265.2906 12.70767 1713.270       160.7058 0.000000       0.000000 1713.270       160.7058 ?        ?        265.2906 12.70767 0.000000       12.70767 
1 1 1 8   19  15 o 289.7476 13.96566 2051.972       192.8896 0.000000       0.000000 2051.972       192.8896 ?        ?        289.7476 13.96566 0.000000       13.96566 
1 1 1 8   19  16 o 236.3500 10.12986 1352.629       114.1981 1705.653       190.5903 1154.897       142.6383 263.4247 15.19790 217.1489 13.81104 46.27571       20.53585 
1 1 1 8   19  17 o 85.82161 18.37967 189.3593       73.13973 67.94724       157.5946 222.6890       82.57075 70.92529 29.08907 92.99098 19.20883 -22.06570      34.85904 
1 1 1 8   19  18 o 146.3659 11.05687 522.8715       76.79922 520.5620       130.7735 524.0873       94.88510 142.9706 19.65154 145.7166 13.78395 -2.745956      24.00375 
1 1 1 8   19  19 o 231.9344 13.86920 1324.312       153.0865 1246.069       194.6435 1451.203       247.8753 222.4853 18.46532 237.7263 22.06130 -15.24100      28.76924 
1 1 1 8   19  20 o 60.19388 25.12942 36.93938       120.5087 -45.26166      131.9572 449.9494       295.7841 53.72112 24.23866 121.3273 41.93468 -67.60616      48.43583 
1 1 1 8   19  21 o 61.66418 24.38625 66.99255       106.4559 -58.56684      131.5790 304.9371       181.1339 52.28752 23.83292 103.4175 32.71151 -51.12997      40.47284 
1 1 1 8   19  22 o 196.2137 17.90419 975.8950       166.1064 923.7090       191.8370 1132.232       332.0369 188.4085 21.69272 195.1706 36.93708 -6.762115      42.83599 
1 1 1 8   19  23 o 44.95806 20.47382 -45.52288      96.82733 -50.17779      112.3549 -32.08664      190.8866 48.37236 22.03865 64.92054 29.23461 -16.54818      36.61098 
1 1 1 8   19  24 o 63.68361 24.37509 87.37858       103.6580 -3.360831      120.7015 342.3532       202.3314 54.58008 23.98414 105.8780 34.67422 -51.29790      42.16089 
1 1 1 8   19  25 o 64.53402 25.80309 82.62233       120.4577 72.85059       127.7377 161.0952       361.9869 64.18670 26.24144 91.19183 40.72248 -27.00513      48.44516 
1 1 1 8   19  26 o 61.81787 27.07483 26.00673       152.6705 105.7903       210.7497 -62.09686      221.4661 75.68809 32.47947 64.59279 29.97236 11.09530       44.19568 
1 1 1 8   19  27 o 58.69109 26.76583 -27.50626      166.2362 -323.2002      238.5078 251.8418       231.8218 54.14820 26.60299 89.37761 35.77571 -35.22941      44.58274 
1 1 1 8   19  28 o 47.62438 22.78500 -133.9972      147.0281 -115.5719      155.9382 -281.5475      441.2811 50.34414 23.91135 73.12115 35.97604 -22.77701      43.19755 
1 1 1 8   19  29 o 264.2898 17.89755 1876.702       224.8087 2109.957       287.6388 1510.569       360.3727 272.2454 22.29441 200.9442 38.91799 71.30115       44.85143 
1 1 1 8   19  30 o 81.55119 33.23545 243.8170       204.1146 540.5463       291.7555 -40.65114      285.6641 104.5477 40.65891 66.16876 31.68474 38.37891       51.54676 
1 1 1 8   20  0  o 154.7448 11.55639 582.8707       84.87872 0.000000       0.000000 582.8707       84.87872 ?        ?        154.7448 11.55639 0.000000       11.55639 
1 1 1 8   20  1  f 103.9716 18.02406 273.2347       86.34791 0.000000       0.000000 273.2347       86.34791 ?        ?        103.9716 18.02406 0.000000       18.02406 
1 1 1 8   20  2  o 76.14398 15.62103 146.6536       54.95732 0.000000       0.000000 146.6536       54.95732 ?        ?        76.14398 15.62103 0.000000       15.62103 
1 1 1 8   20  3  o 294.6348 9.871127 2096.156       138.8499 0.000000       0.000000 2096.156       138.8499 ?        ?        294.6348 9.871127 0.000000       9.871127 
1 1 1 8   20  4  o 56.63476 17.45185 79.02592       51.91264 0.000000       0.000000 79.02592       51.91264 ?        ?        56.63476 17.45185 0.000000       17.45185 
1 1 1 8   20  5  o 45.61766 18.41284 24.66039       61.95623 0.000000       0.000000 24.66039       61.95623 ?        ?        45.61766 18.41284 0.000000       18.41284 
1 1 1 8   20  6  o 118.2683 13.48913 344.2357       74.90917 0.000000       0.000000 344.2357       74.90917 ?        ?        118.2683 13.48913 0.000000       13.48913 
1 1 1 8   20  7  o 203.6178 10.39992 1003.847       100.9051 0.000000       0.000000 1003.847       100.9051 ?        ?        203.6178 10.39992 0.000000       10.39992 
1 1 1 8   20  8  o 138.0533 13.20346 467.3063       86.08448 0.000000       0.000000 467.3063       86.08448 ?        ?        138.0533 13.20346 0.000000       13.20346 
1 1 1 8   20  9  o 114.5182 14.31109 324.5123       76.64732 0.000000       0.000000 324.5123       76.64732 ?        ?        114.5182 14.31109 0.000000       14.31109 
1 1 1 8   20  10 o 283.0544 12.63470 1950.315       170.5482 0.000000       0.000000 1950.315       170.5482 ?        ?        283.0544 12.63470 0.000000       12.63470 
1 1 1 8   20  11 o 175.3157 12.64097 750.8788       105.2407 0.000000       0.000000 750.8788       105.2407 ?        ?        175.3157 12.64097 0.000000       12.64097 
1 1 1 8   20  12 o 72.72367 20.96815 135.9644       76.89731 0.000000       0.000000 135.9644       76.89731 ?        ?        72.72367 20.96815 0.000000       20.96815 
1 1 1 8   20  13 o 121.7087 13.14850 365.2308       75.29480 0.000000       0.000000 365.2308       75.29480 ?        ?        121.7087 13.14850 0.000000       13.14850 
1 1 1 8   20  14 o 38.00285 15.93953 7.520831       48.82757 0.000000       0.000000 7.520831       48.82757 ?        ?        38.00285 15.93953 0.000000       15.93953 
1 1 1 8   20  15 o 36.92309 17.05165 -51.38885      70.42226 0.000000       0.000000 -51.38885      70.42226 ?        ?        36.92309 17.05165 0.000000       17.05165 
1 1 1 8   20  16 o 49.00079 21.90182 -30.88002      104.9638 0.000000       0.000000 -30.88002      104.9638 ?        ?        49.00079 21.90182 0.000000       21.90182 
1 1 1 8   20  17 o 173.6660 11.08395 736.5922       91.54717 1117.333       191.7238 624.1443       104.1926 209.8520 19.32667 158.8385 13.85924 51.01350       23.78232 
1 1 1 8   20  18 o 231.8807 11.41724 1313.958       126.1818 1824.333       242.8818 1125.285       147.6745 268.3228 19.05745 213.0695 14.58488 55.25325       23.99803 
1 1 1 8   20  19 o 317.2763 12.04708 2465.573       182.4055 3113.676       332.2966 2186.070       218.2217 349.4447 19.97338 296.4316 15.45137 53.01315       25.25234 
1 1 1 8   20  20 o 200.2514 11.60221 983.5891       110.6015 1077.823       225.6419 953.7885       126.8904 201.8082 23.84701 196.2527 13.60827 5.555542       27.45660 
1 1 1 8   20  21 o 71.05884 26.80936 116.6649       124.2925 174.2850       135.0169 -203.4269      318.2280 81.02834 28.31314 71.95921 34.17205 9.069122       44.37751 
1 1 1 8   20  22 o 114.9161 23.36013 361.4521       123.9618 430.9174       155.1805 238.9609       206.0656 123.2208 27.08193 91.61906 34.52991 31.60176       43.88332 
1 1 1 8   20  23 o 100.1526 25.59959 286.9317       123.0262 325.6187       152.0108 213.4801       209.4560 104.4038 29.27749 87.39965 34.31584 17.00415       45.10819 
1 1 1 8   20  24 o 111.0522 24.61546 351.4840       127.2557 354.8832       157.8499 345.1731       215.0797 107.6932 29.69886 101.7303 35.72112 5.962822       46.45450 
1 1 1 8   20  25 o 67.62865 25.21832 117.7978       109.2999 101.3634       125.2605 170.2413       223.7601 66.51829 26.40573 81.35203 34.12175 -14.83374      43.14576 
1 1 1 8   20  26 o 145.2903 19.42751 571.3477       131.5676 586.0983       154.5301 532.4813       250.8394 143.7207 23.28589 118.4809 38.59528 25.23982       45.07581 
1 1 1 8   20  27 o 60.45496 27.93033 -19.21474      189.2201 -115.7307      213.6837 331.3867       407.2664 57.82743 27.61239 90.07600 41.38350 -32.24857      49.74975 
1 1 1 8   20  28 o 106.4418 26.24996 358.3690       132.7322 323.4605       150.1327 483.3211       284.0411 97.04126 29.63696 100.9877 39.86614 -3.946465      49.67553 
1 1 1 8   21  0  o 202.9589 12.41748 1006.407       119.9130 0.000000       0.000000 1006.407       119.9130 ?        ?        202.9589 12.41748 0.000000       12.41748 
1 1 1 8   21  1  o 183.3388 12.26922 821.3740       106.9234 0.000000       0.000000 821.3740       106.9234 ?        ?        183.3388 12.26922 0.000000       12.26922 
1 1 1 8   21  2  o 93.36126 20.07789 225.7955       86.95367 0.000000       0.000000 225.7955       86.95367 ?        ?        93.36126 20.07789 0.000000       20.07789 
1 1 1 8   21  3  o 120.2441 14.99771 359.8082       84.34863 0.000000       0.000000 359.8082       84.34863 ?        ?        120.2441 14.99771 0.000000       14.99771 
1 1 1 8   21  4  o 204.7439 12.77420 1025.216       124.4183 0.000000       0.000000 1025.216       124.4183 ?        ?        204.7439 12.77420 0.000000       12.77420 
1 1 1 8   21  5  o 68.50692 25.87929 96.67767       115.9018 0.000000       0.000000 96.67767       115.9018 ?        ?        68.50692 25.87929 0.000000       25.87929 
1 1 1 8   21  6  o 190.1411 11.57710 881.2902       104.7420 0.000000       0.000000 881.2902       104.7420 ?        ?        190.1411 11.57710 0.000000       11.57710 
1 1 1 8   21  7  o 181.2500 12.39216 803.5633       106.7364 0.000000       0.000000 803.5633       106.7364 ?        ?        181.2500 12.39216 0.000000       12.39216 
1 1 1 8   21  8  o 31.52499 14.16166 -19.54561      44.48761 0.000000       0.000000 -19.54561      44.48761 ?        ?        31.52499 14.16166 0.000000       14.16166 
1 1 1 8   21  9  o 164.1235 13.00343 661.6096       101.1988 0.000000       0.000000 661.6096       101.1988 ?        ?        164.1235 13.00343 0.000000       13.00343 
1 1 1 8   21  10 o 164.0533 12.58399 660.2539       97.94524 0.000000       0.000000 660.2539       97.94524 ?        ?        164.0533 12.58399 0.000000       12.58399 
1 1 1 8   21  11 o 95.36974 14.95969 228.8195       65.96712 0.000000       0.000000 228.8195       65.96712 ?        ?        95.36974 14.95969 0.000000       14.95969 
1 1 1 8   21  12 o 67.32121 20.57234 116.0294       72.32565 0.000000       0.000000 116.0294       72.32565 ?        ?        67.32121 20.57234 0.000000       20.57234 
1 1 1 8   21  13 o 49.37462 21.58383 -8.623910      96.61822 0.000000       0.000000 -8.623910      96.61822 ?        ?        49.37462 21.58383 0.000000       21.58383 
1 1 1 8   21  14 o 251.8521 11.84129 1550.995       142.1789 0.000000       0.000000 1550.995       142.1789 ?        ?        251.8521 11.84129 0.000000       11.84129 
1 1 1 8   21  15 o 135.1724 14.37847 455.1884       91.49582 0.000000       0.000000 455.1884       91.49582 ?        ?        135.1724 14.37847 0.000000       14.37847 
1 1 1 8   21  16 o 31.34616 14.87354 -68.78984      60.04622 0.000000       0.000000 -68.78984      60.04622 ?        ?        31.34616 14.87354 0.000000       14.87354 
1 1 1 8   21  17 o 188.3771 13.83003 880.7703       123.6864 0.000000       0.000000 880.7703       123.6864 ?        ?        188.3771 13.83003 0.000000       13.83003 
1 1 1 8   21  18 o 44.02230 20.14449 -49.26060      95.20956 0.000000       0.000000 -49.26060      95.20956 ?        ?        44.02230 20.14449 0.000000       20.14449 
1 1 1 8   21  19 o 146.0947 16.32103 544.5211       112.0510 651.9940       304.3125 527.6647       120.5183 136.8772 42.26695 142.8144 18.05385 -5.937271      45.96125 
1 1 1 8   21  20 o 103.5748 20.15717 287.9243       96.22131 -174.8114      301.1957 340.5175       101.5423 69.29630 33.00330 113.2508 19.45493 -43.95454      38.31073 
1 1 1 8   21  21 f 142.8002 15.42886 521.7566       103.6640 737.7272       314.8496 495.4977       109.7853 140.6882 42.90937 138.1958 16.97256 2.492386       46.14414 
1 1 1 8   21  22 o 112.0796 35.93416 427.1534       217.9808 519.7144       283.0817 292.3235       341.6573 117.5113 41.00112 95.56830 41.18646 21.94300       58.11554 
1 1 1 8   21  23 o 53.20736 24.82169 -76.39785      155.1061 -117.0774      234.9316 -44.96486      206.5124 62.32069 29.52658 62.88562 29.09746 -0.5649376     41.45457 
1 1 1 8   21  24 o 56.83798 24.57389 34.96938       122.3953 -29.14841      146.7974 181.1932       221.6859 54.64771 25.00924 80.07185 33.79569 -25.42415      42.04297 
1 1 1 8   21  25 o 49.94619 23.22734 -53.43426      134.1418 22.87424       143.3697 -589.6198      380.0394 57.83752 25.74073 59.65008 29.97635 -1.812561      39.51160 
1 1 1 8   21  26 o 57.76478 25.10018 48.57770       129.0017 25.40320       152.2623 107.5254       242.8402 58.37840 26.21411 71.83440 32.59950 -13.45600      41.83189 
1 1 1 8   22  0  o 81.48145 23.78712 177.3431       98.40628 0.000000       0.000000 177.3431       98.40628 ?        ?        81.48145 23.78712 0.000000       23.78712 
1 1 1 8   22  1  o 101.0519 16.98080 260.7306       79.13067 0.000000       0.000000 260.7306       79.13067 ?        ?        101.0519 16.98080 0.000000       16.98080 
1 1 1 8   22  2  o 164.3089 15.22496 672.5726       118.2383 0.000000       0.000000 672.5726       118.2383 ?        ?        164.3089 15.22496 0.000000       15.22496 
1 1 1 8   22  3  f 86.86903 16.34824 192.8542       65.40509 0.000000       0.000000 192.8542       65.40509 ?        ?        86.86903 16.34824 0.000000       16.34824 
1 1 1 8   22  4  o 160.5554 13.61520 636.8810       103.5254 0.000000       0.000000 636.8810       103.5254 ?        ?        160.5554 13.61520 0.000000       13.61520 
1 1 1 8   22  5  o 162.1619 15.49323 655.7039       118.6569 0.000000       0.000000 655.7039       118.6569 ?        ?        162.1619 15.49323 0.000000       15.49323 
1 1 1 8   22  6  o 214.2358 14.49709 1135.480       147.6101 0.000000       0.000000 1135.480       147.6101 ?        ?        214.2358 14.49709 0.000000       14.49709 
1 1 1 8   22  7  o 127.4415 13.18782 402.1227       79.19148 0.000000       0.000000 402.1227       79.19148 ?        ?        127.4415 13.18782 0.000000       13.18782 
1 1 1 8   22  8  o 214.3645 25.37321 1216.798       255.0023 0.000000       0.000000 1216.798       255.0023 ?        ?        214.3645 25.37321 0.000000       25.37321 
1 1 1 8   22  9  o 16.83863 8.547764 -132.6403      35.87881 0.000000       0.000000 -132.6403      35.87881 ?        ?        16.83863 8.547764 0.000000       8.547764 
1 1 1 8   22  10 o 147.7161 13.40853 540.6818       93.66222 0.000000       0.000000 540.6818       93.66222 ?        ?        147.7161 13.40853 0.000000       13.40853 
1 1 1 8   22  11 o 88.93691 20.11098 208.9291       83.49927 0.000000       0.000000 208.9291       83.49927 ?        ?        88.93691 20.11098 0.000000       20.11098 
1 1 1 8   22  12 o 65.89987 17.45027 113.2925       55.83871 0.000000       0.000000 113.2925       55.83871 ?        ?        65.89987 17.45027 0.000000       17.45027 
1 1 1 8   22  13 o 111.0995 16.75242 316.3373       86.21735 0.000000       0.000000 316.3373       86.21735 ?        ?        111.0995 16.75242 0.000000       16.75242 
1 1 1 8   22  14 o 252.4007 14.72537 1593.565       176.9192 0.000000       0.000000 1593.565       176.9192 ?        ?        252.4007 14.72537 0.000000       14.72537 
1 1 1 8   22  15 o 70.65176 23.86867 131.0081       95.71416 0.000000       0.000000 131.0081       95.71416 ?        ?        70.65176 23.86867 0.000000       23.86867 
1 1 1 8   22  16 o 45.69745 20.58483 -28.55822      94.72716 0.000000       0.000000 -28.55822      94.72716 ?        ?        45.69745 20.58483 0.000000       20.58483 
1 1 1 8   22  17 o 62.14376 25.02776 72.95325       114.1912 0.000000       0.000000 72.95325       114.1912 ?        ?        62.14376 25.02776 0.000000       25.02776 
1 1 1 8   22  18 o 58.98531 23.72858 64.52630       102.5172 0.000000       0.000000 64.52630       102.5172 ?        ?        58.98531 23.72858 0.000000       23.72858 
1 1 1 8   22  19 o 143.8997 14.41391 526.8672       97.82958 0.000000       0.000000 526.8672       97.82958 ?        ?        143.8997 14.41391 0.000000       14.41391 
1 1 1 8   22  20 o 121.1593 14.84530 377.8687       84.19661 593.6725       192.3775 326.7375       93.64139 139.1048 29.82267 110.5340 18.36413 28.57084       35.02332 
1 1 1 8   22  21 f 81.76931 22.70037 193.2538       91.88123 253.3409       190.8141 175.1164       104.8353 87.62209 33.18189 77.15526 24.93720 10.46684       41.50785 
1 1 1 8   22  22 o 121.3730 17.01237 393.6193       96.01076 393.9136       206.0332 393.5376       108.5129 103.1951 35.01834 119.3156 19.71048 -16.12052      40.18441 
1 1 1 8   22  23 o 62.61135 23.67369 105.1646       97.03875 442.3842       199.1353 0.1510492      111.1257 108.9177 34.27844 50.30027 22.50528 58.61740       41.00608 
1 1 1 8   23  0  o 198.3482 13.79329 980.9613       129.9841 0.000000       0.000000 980.9613       129.9841 ?        ?        198.3482 13.79329 0.000000       13.79329 
1 1 1 8   23  1  o 160.1388 14.41457 643.1398       109.1788 0.000000       0.000000 643.1398       109.1788 ?        ?        160.1388 14.41457 0.000000       14.41457 
1 1 1 8   23  2  o 54.08196 21.12792 54.30347       79.06617 0.000000       0.000000 54.30347       79.06617 ?        ?        54.08196 21.12792 0.000000       21.12792 
1 1 1 8   23  3  o 111.6118 13.76353 313.1674       71.88868 0.000000       0.000000 313.1674       71.88868 ?        ?        111.6118 13.76353 0.000000       13.76353 
1 1 1 8   23  4  o 245.7058 10.00085 1474.547       117.2336 0.000000       0.000000 1474.547       117.2336 ?        ?        245.7058 10.00085 0.000000       10.00085 
1 1 1 8   23  5  f 74.90162 29.45553 125.7771       154.5376 0.000000       0.000000 125.7771       154.5376 ?        ?        74.90162 29.45553 0.000000       29.45553 
1 1 1 8   23  6  o 187.7271 13.97792 880.4507       124.5517 0.000000       0.000000 880.4507       124.5517 ?        ?        187.7271 13.97792 0.000000       13.97792 
1 1 1 8   23  7  o 297.3929 15.79057 2229.259       223.7058 0.000000       0.000000 2229.259       223.7058 ?        ?        297.3929 15.79057 0.000000       15.79057 
1 1 1 8   23  8  o 72.63665 22.55408 141.8110       86.51235 0.000000       0.000000 141.8110       86.51235 ?        ?        72.63665 22.55408 0.000000       22.55408 
1 1 1 8   23  9  o 40.10067 16.58765 15.63143       51.82478 0.000000       0.000000 15.63143       51.82478 ?        ?        40.10067 16.58765 0.000000       16.58765 
1 1 1 8   23  10 o 46.89592 17.47519 45.90168       52.46692 0.000000       0.000000 45.90168       52.46692 ?        ?        46.89592 17.47519 0.000000       17.47519 
1 1 1 8   23  11 f 166.6647 14.04624 698.0436       110.8804 0.000000       0.000000 698.0436       110.8804 ?        ?        166.6647 14.04624 0.000000       14.04624 
1 1 1 8   23  12 o 56.76247 21.33089 71.25391       78.51255 0.000000       0.000000 71.25391       78.51255 ?        ?        56.76247 21.33089 0.000000       21.33089 
1 1 1 8   23  13 o 126.1335 15.61670 407.8365       92.16351 0.000000       0.000000 407.8365       92.16351 ?        ?        126.1335 15.61670 0.000000       15.61670 
1 1 1 8   23  14 f 86.65782 19.92578 204.2361       80.82639 0.000000       0.000000 204.2361       80.82639 ?        ?        86.65782 19.92578 0.000000       19.92578 
1 1 1 8   23  15 o 123.0777 15.59972 390.8672       89.73302 0.000000       0.000000 390.8672       89.73302 ?        ?        123.0777 15.59972 0.000000       15.59972 
1 1 1 8   23  16 o 113.6883 16.56718 338.9360       87.40148 0.000000       0.000000 338.9360       87.40148 ?        ?        113.6883 16.56718 0.000000       16.56718 
1 1 1 8   23  17 o 67.13619 20.88946 125.1068       74.17080 0.000000       0.000000 125.1068       74.17080 ?        ?        67.13619 20.88946 0.000000       20.88946 
1 1 1 8   23  18 o 27.60915 13.58570 -119.8268      62.99904 0.000000       0.000000 -119.8268      62.99904 ?        ?        27.60915 13.58570 0.000000       13.58570 
1 1 1 8   23  19 o 155.1814 15.07850 627.8029       110.4594 0.000000       0.000000 627.8029       110.4594 ?        ?        155.1814 15.07850 0.000000       15.07850 
1 1 1 8   24  0  o 49.66222 23.31206 -91.94938      140.3987 0.000000       0.000000 -91.94938      140.3987 ?        ?        49.66222 23.31206 0.000000       23.31206 
1 1 1 8   24  1  o 55.09693 23.51616 30.62147       109.3982 0.000000       0.000000 30.62147       109.3982 ?        ?        55.09693 23.51616 0.000000       23.51616 
1 1 1 8   24  2  o 59.50288 18.54060 93.73588       58.40622 0.000000       0.000000 93.73588       58.40622 ?        ?        59.50288 18.54060 0.000000       18.54060 
1 1 1 8   24  3  o 95.45132 15.41273 236.6066       67.93929 0.000000       0.000000 236.6066       67.93929 ?        ?        95.45132 15.41273 0.000000       15.41273 
1 1 1 8   24  4  o 78.58759 30.69673 166.7430       166.8812 0.000000       0.000000 166.7430       166.8812 ?        ?        78.58759 30.69673 0.000000       30.69673 
1 1 1 8   24  5  o 132.3853 41.47842 658.3730       291.8967 0.000000       0.000000 658.3730       291.8967 ?        ?        132.3853 41.47842 0.000000       41.47842 
1 1 1 8   24  6  o 77.90316 22.21091 170.3041       86.74937 0.000000       0.000000 170.3041       86.74937 ?        ?        77.90316 22.21091 0.000000       22.21091 
1 1 1 8   24  7  o 42.94464 19.19521 -16.81438      80.62759 0.000000       0.000000 -16.81438      80.62759 ?        ?        42.94464 19.19521 0.000000       19.19521 
1 1 1 8   24  8  f 107.1151 20.69332 314.8373       102.1355 0.000000       0.000000 314.8373       102.1355 ?        ?        107.1151 20.69332 0.000000       20.69332 
1 1 1 8   24  9  o 104.5749 44.51572 458.8896       390.1866 0.000000       0.000000 458.8896       390.1866 ?        ?        104.5749 44.51572 0.000000       44.51572 
1 1 1 8   24  10 o 49.07444 18.27666 53.74255       57.37410 0.000000       0.000000 53.74255       57.37410 ?        ?        49.07444 18.27666 0.000000       18.27666 
1 1 1 8   24  11 o 110.8748 14.91061 318.5526       77.03646 0.000000       0.000000 318.5526       77.03646 ?        ?        110.8748 14.91061 0.000000       14.91061 
1 1 1 8   24  12 o 104.4791 15.45393 285.6223       74.86723 0.000000       0.000000 285.6223       74.86723 ?        ?        104.4791 15.45393 0.000000       15.45393 
1 1 1 8   24  13 o 94.10111 16.92329 237.0834       73.33675 0.000000       0.000000 237.0834       73.33675 ?        ?        94.10111 16.92329 0.000000       16.92329 
1 1 1 9   -15 0  o 85.04449 24.60270 218.6369       105.7017 218.6369       105.7017 0.000000       0.000000 85.04449 24.60270 ?        ?        0.000000       24.60270 
1 1 1 9   -15 1  o 40.81354 18.23690 -12.25629      72.71690 -12.25629      72.71690 0.000000       0.000000 40.81354 18.23690 ?        ?        0.000000       18.23690 
1 1 1 9   -15 2  o 55.15800 23.14096 48.86292       102.9561 48.86292       102.9561 0.000000       0.000000 55.15800 23.14096 ?        ?        0.000000       23.14096 
1 1 1 9   -15 3  o 107.3633 36.36655 440.5633       222.1955 440.5633       222.1955 0.000000       0.000000 107.3633 36.36655 ?        ?        0.000000       36.36655 
1 1 1 9   -15 4  o 150.4636 16.24442 597.6841       115.0040 597.6841       115.0040 0.000000       0.000000 150.4636 16.24442 ?        ?        0.000000       16.24442 
1 1 1 9   -15 5  o 89.46323 22.16716 233.2330       94.32347 233.2330       94.32347 0.000000       0.000000 89.46323 22.16716 ?        ?        0.000000       22.16716 
1 1 1 9   -15 6  o 139.8506 18.35662 532.0142       119.7739 532.0142       119.7739 0.000000       0.000000 139.8506 18.35662 ?        ?        0.000000       18.35662 
1 1 1 9   -15 7  o 88.18709 26.40741 245.0493       120.0255 245.0493       120.0255 0.000000       0.000000 88.18709 26.40741 ?        ?        0.000000       26.40741 
1 1 1 9   -14 0  o 182.2715 23.03698 915.2071       196.2726 915.2071       196.2726 0.000000       0.000000 182.2715 23.03698 ?        ?        0.000000       23.03698 
1 1 1 9   -14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -14 2  o 271.1564 14.12253 1854.923       182.4490 1854.923       182.4490 0.000000       0.000000 271.1564 14.12253 ?        ?        0.000000       14.12253 
1 1 1 9   -14 3  o 50.87915 23.39361 -53.03417      130.4941 -53.03417      130.4941 0.000000       0.000000 50.87915 23.39361 ?        ?        0.000000       23.39361 
1 1 1 9   -14 4  o 97.67793 19.41277 257.4557       87.46049 257.4557       87.46049 0.000000       0.000000 97.67793 19.41277 ?        ?        0.000000       19.41277 
1 1 1 9   -14 5  o 198.7848 12.82108 989.6287       121.1976 989.6287       121.1976 0.000000       0.000000 198.7848 12.82108 ?        ?        0.000000       12.82108 
1 1 1 9   -14 6  o 66.12234 24.74428 108.7695       105.4172 108.7695       105.4172 0.000000       0.000000 66.12234 24.74428 ?        ?        0.000000       24.74428 
1 1 1 9   -14 7  o 83.09765 26.11092 201.1051       115.5893 201.1051       115.5893 0.000000       0.000000 83.09765 26.11092 ?        ?        0.000000       26.11092 
1 1 1 9   -14 8  o 232.7768 14.37030 1374.709       159.1444 1374.709       159.1444 0.000000       0.000000 232.7768 14.37030 ?        ?        0.000000       14.37030 
1 1 1 9   -14 9  o 161.6439 15.70823 674.6062       119.8644 674.6062       119.8644 0.000000       0.000000 161.6439 15.70823 ?        ?        0.000000       15.70823 
1 1 1 9   -14 10 o 70.04065 27.03065 128.1754       128.2069 128.1754       128.2069 0.000000       0.000000 70.04065 27.03065 ?        ?        0.000000       27.03065 
1 1 1 9   -14 11 o 42.39203 17.78798 17.99021       60.84849 81.47376       126.8076 -0.9997279     69.35477 63.10083 26.00920 41.65553 18.24621 21.44530       31.77110 
1 1 1 9   -14 12 o 55.85087 18.62582 82.35600       58.29944 79.65619       101.3249 83.69209       71.28011 59.63089 23.72401 57.15348 20.51390 2.477409       31.36317 
1 1 1 9   -14 13 o 148.1336 12.64622 558.0934       88.70611 495.3185       254.8708 566.7457       94.62202 109.9517 38.86168 148.7046 13.45487 -38.75288      41.12498 
1 1 1 9   -13 0  o 47.84528 20.59012 5.463223       85.15424 5.463223       85.15424 0.000000       0.000000 47.84528 20.59012 ?        ?        0.000000       20.59012 
1 1 1 9   -13 1  o 47.61512 20.00355 17.62661       77.09348 17.62661       77.09348 0.000000       0.000000 47.61512 20.00355 ?        ?        0.000000       20.00355 
1 1 1 9   -13 2  o 147.1140 15.96958 547.2117       110.5200 547.2117       110.5200 0.000000       0.000000 147.1140 15.96958 ?        ?        0.000000       15.96958 
1 1 1 9   -13 3  o 288.6364 11.68682 2045.442       160.9373 2045.442       160.9373 0.000000       0.000000 288.6364 11.68682 ?        ?        0.000000       11.68682 
1 1 1 9   -13 4  o 101.8607 20.07783 274.3545       94.29823 274.3545       94.29823 0.000000       0.000000 101.8607 20.07783 ?        ?        0.000000       20.07783 
1 1 1 9   -13 5  o 163.4066 22.13530 707.5384       168.4846 707.5384       168.4846 0.000000       0.000000 163.4066 22.13530 ?        ?        0.000000       22.13530 
1 1 1 9   -13 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -13 7  o 46.16008 19.17787 21.39230       69.69743 21.39230       69.69743 0.000000       0.000000 46.16008 19.17787 ?        ?        0.000000       19.17787 
1 1 1 9   -13 8  o 181.9829 16.16154 841.8438       139.1509 841.8438       139.1509 0.000000       0.000000 181.9829 16.16154 ?        ?        0.000000       16.16154 
1 1 1 9   -13 9  o 213.9661 13.65730 1144.575       138.9777 1144.575       138.9777 0.000000       0.000000 213.9661 13.65730 ?        ?        0.000000       13.65730 
1 1 1 9   -13 10 o 165.4222 10.01742 671.9298       78.85292 726.1984       131.8002 641.6765       98.40749 168.2378 16.60260 160.2257 12.95703 8.012085       21.06017 
1 1 1 9   -13 11 o 63.09177 18.26739 105.7672       58.25063 101.9928       117.8251 106.9881       67.01293 66.76055 25.87300 63.53822 19.86917 3.222328       32.62202 
1 1 1 9   -13 12 o 122.2512 12.93318 375.9302       74.44563 384.9842       201.0228 374.4911       80.14398 108.8517 34.46444 121.4796 14.05855 -12.62788      37.22150 
1 1 1 9   -13 13 o 59.15406 19.53352 90.73761       64.16017 71.46886       149.9285 95.05742       70.98873 66.17905 27.85472 60.66236 20.55549 5.516689       34.61811 
1 1 1 9   -13 14 o 55.76834 20.31122 74.45633       70.20107 -36.05082      161.8685 100.0566       77.90932 57.55185 26.30935 62.05291 21.51814 -4.501068      33.98841 
1 1 1 9   -13 15 o 90.52552 18.85824 223.1395       78.96391 431.3538       280.4909 205.2173       82.29219 105.2482 40.14233 85.91991 20.34914 19.32827       45.00550 
1 1 1 9   -13 16 o 163.0321 12.98500 674.0289       100.3743 1081.558       280.3878 614.1264       107.4984 181.3394 33.57770 154.3102 14.75065 27.02924       36.67484 
1 1 1 9   -13 17 o 85.48406 19.49419 204.0324       77.89858 452.8168       261.2189 179.7484       81.61195 105.1785 39.03099 79.22328 21.15093 25.95520       44.39347 
1 1 1 9   -12 0  o 265.8844 9.266264 1714.313       117.6093 1714.313       117.6093 0.000000       0.000000 265.8844 9.266264 ?        ?        0.000000       9.266264 
1 1 1 9   -12 1  o 139.8284 13.04208 483.3556       86.18121 483.3556       86.18121 0.000000       0.000000 139.8284 13.04208 ?        ?        0.000000       13.04208 
1 1 1 9   -12 2  o 37.73824 17.42421 -51.89116      73.47356 -51.89116      73.47356 0.000000       0.000000 37.73824 17.42421 ?        ?        0.000000       17.42421 
1 1 1 9   -12 3  o 236.4174 9.797654 1357.935       110.5014 1357.935       110.5014 0.000000       0.000000 236.4174 9.797654 ?        ?        0.000000       9.797654 
1 1 1 9   -12 4  o 268.8685 10.28926 1758.592       132.0171 1758.592       132.0171 0.000000       0.000000 268.8685 10.28926 ?        ?        0.000000       10.28926 
1 1 1 9   -12 5  o 149.4631 13.55842 553.2656       95.83081 553.2656       95.83081 0.000000       0.000000 149.4631 13.55842 ?        ?        0.000000       13.55842 
1 1 1 9   -12 6  o 52.09489 21.23903 34.49168       83.39558 34.49168       83.39558 0.000000       0.000000 52.09489 21.23903 ?        ?        0.000000       21.23903 
1 1 1 9   -12 7  o 264.8748 10.72400 1710.336       135.5211 1710.336       135.5211 0.000000       0.000000 264.8748 10.72400 ?        ?        0.000000       10.72400 
1 1 1 9   -12 8  o 108.6805 18.73580 305.2016       93.83458 305.2016       93.83458 0.000000       0.000000 108.6805 18.73580 ?        ?        0.000000       18.73580 
1 1 1 9   -12 9  o 410.9806 9.816684 4100.785       192.8833 4086.514       443.6726 4104.111       214.1827 395.4826 23.57229 410.2542 10.92974 -14.77158      25.98293 
1 1 1 9   -12 10 o 140.1794 10.33097 480.5332       68.74985 503.1938       115.6429 468.1463       85.49969 140.5854 17.58950 137.3914 13.17794 3.194000       21.97836 
1 1 1 9   -12 11 o 87.86333 14.10351 195.1824       57.23989 228.5583       114.1854 183.9804       66.15189 91.22237 25.29903 84.29300 17.00237 6.929375       30.48149 
1 1 1 9   -12 12 o 47.56615 16.23165 53.33096       44.27452 203.0265       195.7462 45.25979       45.45243 88.18056 33.55790 45.50673 16.37518 42.67383       37.34005 
1 1 1 9   -12 13 o 143.1272 11.92618 507.0204       80.86689 553.5053       155.7734 489.8711       94.61497 143.0036 23.60746 139.6010 14.38187 3.402618       27.64327 
1 1 1 9   -12 14 o 104.6464 14.20094 277.5697       69.21597 86.92844       147.0388 331.8393       78.45161 68.76508 28.13853 114.3495 14.68911 -45.58447      31.74188 
1 1 1 9   -12 15 o 85.81435 14.43133 188.8777       57.10812 43.12799       149.4090 213.8146       61.80073 63.75362 27.35249 91.33246 14.64840 -27.57884      31.02796 
1 1 1 9   -12 16 o 128.1932 13.79686 415.1913       83.22815 891.7571       226.8675 341.0783       89.46599 176.0872 27.87573 114.5715 16.83495 61.51573       32.56489 
1 1 1 9   -12 17 o 70.74272 20.66805 136.6225       74.26623 102.7685       227.6718 140.6537       78.56355 77.06438 33.41668 71.62426 21.34520 5.440117       39.65214 
1 1 1 9   -12 18 o 65.80079 21.32503 117.4290       76.63265 217.6622       240.4854 106.1007       80.84724 86.46191 35.74553 63.46897 21.92454 22.99295       41.93362 
1 1 1 9   -12 19 o 60.22164 18.13501 97.83733       56.48736 390.2575       302.5080 87.27280       57.49869 99.53597 40.49965 57.36135 18.46181 42.17462       44.50910 
1 1 1 9   -12 20 o 57.55460 22.07142 78.48706       85.09982 300.8954       356.0971 65.01572       87.63919 90.41456 40.38162 55.53234 22.07341 34.88222       46.02077 
1 1 1 9   -11 0  o 143.6903 11.31594 504.0432       77.10988 504.0432       77.10988 0.000000       0.000000 143.6903 11.31594 ?        ?        0.000000       11.31594 
1 1 1 9   -11 1  o 63.35767 18.44429 102.0608       59.23847 102.0608       59.23847 0.000000       0.000000 63.35767 18.44429 ?        ?        0.000000       18.44429 
1 1 1 9   -11 2  o 199.3971 10.09123 964.2284       95.88644 964.2284       95.88644 0.000000       0.000000 199.3971 10.09123 ?        ?        0.000000       10.09123 
1 1 1 9   -11 3  o 358.2609 8.226424 3092.736       140.9025 3092.736       140.9025 0.000000       0.000000 358.2609 8.226424 ?        ?        0.000000       8.226424 
1 1 1 9   -11 4  o 268.2157 8.971860 1738.052       114.8850 1738.052       114.8850 0.000000       0.000000 268.2157 8.971860 ?        ?        0.000000       8.971860 
1 1 1 9   -11 5  o 153.0880 11.88745 573.0153       86.32245 573.0153       86.32245 0.000000       0.000000 153.0880 11.88745 ?        ?        0.000000       11.88745 
1 1 1 9   -11 6  o 129.2952 13.82736 413.3115       84.14769 413.3115       84.14769 0.000000       0.000000 129.2952 13.82736 ?        ?        0.000000       13.82736 
1 1 1 9   -11 7  o 134.2264 14.03360 445.8462       88.72734 445.8462       88.72734 0.000000       0.000000 134.2264 14.03360 ?        ?        0.000000       14.03360 
1 1 1 9   -11 8  o 125.3396 9.425954 382.0275       56.06971 356.6262       89.36707 398.5179       72.00518 119.1495 16.09993 127.3854 11.96323 -8.235901      20.05808 
1 1 1 9   -11 9  o 120.2896 10.36880 353.4652       59.04856 312.7366       96.18735 378.0971       74.80272 110.3721 18.90833 123.7589 12.82831 -13.38686      22.84930 
1 1 1 9   -11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -11 11 o 178.0450 10.91299 773.5582       92.44647 571.6542       196.8289 830.7044       104.7152 143.8547 29.60677 184.1562 11.95832 -40.30153      31.93059 
1 1 1 9   -11 12 o 105.6357 15.21145 280.9746       74.61105 194.1021       201.2456 294.8183       80.33629 89.29292 34.01533 107.9555 16.05315 -18.66257      37.61312 
1 1 1 9   -11 13 o 116.9386 11.80128 337.0464       65.07575 359.7633       138.1889 330.5730       73.76727 115.0394 25.76705 115.2182 13.65693 -0.1788406     29.16252 
1 1 1 9   -11 14 f 136.9265 11.55201 460.6806       74.91816 559.0979       151.6977 428.9332       86.15851 145.9264 22.46334 131.2794 13.94042 14.64703       26.43742 
1 1 1 9   -11 15 o 64.99689 19.33970 109.4440       64.53385 386.3555       196.7571 76.06416       68.31277 114.5323 33.69033 57.12038 20.12541 57.41194       39.24373 
1 1 1 9   -11 16 o 86.34981 18.21912 195.2727       72.84525 191.5817       210.0474 195.7773       77.66534 87.80442 34.39714 86.06086 19.34769 1.743561       39.46513 
1 1 1 9   -11 17 o 187.8824 12.62078 874.9823       112.7078 1058.271       237.5597 821.7411       128.0352 196.2533 25.95472 180.7650 14.94871 15.48831       29.95182 
1 1 1 9   -11 18 o 45.63267 19.25596 15.58501       71.94430 102.4667       240.0076 7.007521       75.41212 79.60358 34.41405 45.22004 19.41726 34.38355       39.51401 
1 1 1 9   -11 19 o 164.2620 13.08409 675.2147       101.9031 1303.785       282.8504 581.4598       109.2388 212.8578 28.51082 151.1058 15.33331 61.75198       32.37248 
1 1 1 9   -11 20 f 203.9499 13.83949 1047.097       134.1441 1392.922       301.6843 961.8721       149.7639 217.2217 29.83718 193.5407 16.33796 23.68102       34.01744 
1 1 1 9   -11 21 o 86.42924 23.10319 213.2888       97.29869 443.7897       186.6896 127.3295       114.0067 117.2525 32.28370 69.50156 25.78648 47.75092       41.31803 
1 1 1 9   -11 22 o 83.72797 24.23406 206.3438       102.5340 127.6050       194.4867 236.6530       120.6653 74.17162 31.49554 88.23398 26.49068 -14.06236      41.15490 
1 1 1 9   -10 0  o 192.1206 9.282598 892.6229       85.00900 892.6229       85.00900 0.000000       0.000000 192.1206 9.282598 ?        ?        0.000000       9.282598 
1 1 1 9   -10 1  o 220.8265 8.831484 1177.353       93.05001 1177.353       93.05001 0.000000       0.000000 220.8265 8.831484 ?        ?        0.000000       8.831484 
1 1 1 9   -10 2  o 253.8870 8.611804 1554.896       104.3792 1554.896       104.3792 0.000000       0.000000 253.8870 8.611804 ?        ?        0.000000       8.611804 
1 1 1 9   -10 3  o 248.4872 8.590751 1489.425       101.9036 1489.425       101.9036 0.000000       0.000000 248.4872 8.590751 ?        ?        0.000000       8.590751 
1 1 1 9   -10 4  o 42.25181 17.61807 11.63276       59.13019 11.63276       59.13019 0.000000       0.000000 42.25181 17.61807 ?        ?        0.000000       17.61807 
1 1 1 9   -10 5  o 274.7516 8.494168 1820.141       111.4417 1820.141       111.4417 0.000000       0.000000 274.7516 8.494168 ?        ?        0.000000       8.494168 
1 1 1 9   -10 6  o 110.0743 12.53941 298.0873       64.81367 298.0873       64.81367 0.000000       0.000000 110.0743 12.53941 ?        ?        0.000000       12.53941 
1 1 1 9   -10 7  o 110.0166 12.90135 298.2485       66.57046 298.2485       66.57046 0.000000       0.000000 110.0166 12.90135 ?        ?        0.000000       12.90135 
1 1 1 9   -10 8  o 35.33468 13.73465 19.43748       33.27877 4.221704       57.76878 26.99486       40.71288 40.50641 17.18134 39.82942 15.26821 0.6769867      22.98513 
1 1 1 9   -10 9  o 468.8354 7.828948 5289.050       175.4818 5798.400       272.7667 4929.370       229.2141 488.9364 11.66892 451.3701 10.62185 37.56625       15.77933 
1 1 1 9   -10 10 o 137.2169 10.64161 458.2975       69.26567 447.9348       158.9010 460.7285       76.96247 130.0328 26.46147 137.2923 11.84090 -7.259567      28.98994 
1 1 1 9   -10 11 o 174.5453 11.84380 743.0853       98.24892 764.7339       189.2025 735.0924       114.9642 172.2176 23.59958 172.9110 14.02730 -0.6934204     27.45369 
1 1 1 9   -10 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -10 13 o 164.9862 10.76652 663.0908       84.46029 898.6086       199.6518 611.7552       93.21175 186.5972 22.85670 157.9435 12.44460 28.65373       26.02493 
1 1 1 9   -10 14 o 111.9765 12.61287 309.7814       66.34941 391.5679       182.9401 297.3938       71.19706 117.9957 31.74034 109.2973 13.94221 8.698341       34.66749 
1 1 1 9   -10 15 o 55.89433 19.25018 73.21541       62.30975 90.96651       186.5990 70.98767       66.10411 76.61888 31.56281 55.92388 19.78901 20.69500       37.25341 
1 1 1 9   -10 16 o 136.9669 13.09066 463.7098       84.67894 416.8643       209.5845 472.8488       92.57112 119.5750 34.65876 137.9114 14.24475 -18.33640      37.47189 
1 1 1 9   -10 17 o 178.3340 12.09748 780.6654       102.5319 1017.627       238.9975 727.2158       113.5080 195.0178 26.30372 171.3424 13.97784 23.67537       29.78701 
1 1 1 9   -10 18 o 103.9722 19.90067 282.6805       95.32006 469.3437       251.0248 251.2308       103.0376 123.4942 38.43060 96.80202 22.66566 26.69221       44.61663 
1 1 1 9   -10 19 o 119.1538 15.24200 358.7191       84.84210 512.4991       265.3035 341.2008       89.54429 126.4054 39.53493 115.5614 16.69054 10.84400       42.91369 
1 1 1 9   -10 20 o 60.39410 19.85589 92.68681       66.32122 294.2054       277.2101 80.45192       68.30486 99.64099 39.36845 57.68227 20.13934 41.95872       44.22067 
1 1 1 9   -10 21 o 111.0408 21.93065 335.4597       112.2918 534.8942       313.0666 306.0133       120.2964 121.0191 43.04145 104.4215 24.51815 16.59757       49.53489 
1 1 1 9   -10 22 o 46.75342 21.02934 -25.39335      98.44860 358.2617       204.9046 -140.5374      112.2540 105.2475 34.91372 40.61383 19.55496 64.63370       40.01705 
1 1 1 9   -10 23 o 74.43401 20.81369 152.9558       76.94194 -84.24733      223.0353 184.9984       81.97424 63.25906 29.59402 81.75240 20.89651 -18.49334      36.22803 
1 1 1 9   -10 24 o 124.4719 17.87518 412.7301       103.3249 836.9197       396.3019 381.7922       107.0265 131.2629 48.18700 118.4779 19.57816 12.78497       52.01241 
1 1 1 9   -10 25 o 77.66568 28.84410 183.1474       142.7116 22.23246       407.6842 205.6192       152.3509 79.15050 37.88775 80.93452 29.84877 -1.784027      48.23309 
1 1 1 9   -9  0  o 395.2768 7.738898 3756.093       146.2476 3756.093       146.2476 0.000000       0.000000 395.2768 7.738898 ?        ?        0.000000       7.738898 
1 1 1 9   -9  1  o 321.6911 7.898860 2488.237       121.4820 2488.237       121.4820 0.000000       0.000000 321.6911 7.898860 ?        ?        0.000000       7.898860 
1 1 1 9   -9  2  o 244.4166 8.267164 1438.779       96.46507 1438.779       96.46507 0.000000       0.000000 244.4166 8.267164 ?        ?        0.000000       8.267164 
1 1 1 9   -9  3  o 159.0574 9.592349 612.1232       72.60458 612.1232       72.60458 0.000000       0.000000 159.0574 9.592349 ?        ?        0.000000       9.592349 
1 1 1 9   -9  4  o 173.2533 9.202107 725.2145       75.94805 725.2145       75.94805 0.000000       0.000000 173.2533 9.202107 ?        ?        0.000000       9.202107 
1 1 1 9   -9  5  o 119.8338 11.91508 351.1455       67.35951 351.1455       67.35951 0.000000       0.000000 119.8338 11.91508 ?        ?        0.000000       11.91508 
1 1 1 9   -9  6  o 163.6700 10.06585 648.9040       78.38300 648.9040       78.38300 0.000000       0.000000 163.6700 10.06585 ?        ?        0.000000       10.06585 
1 1 1 9   -9  7  o 146.0260 7.672943 514.0222       53.37944 465.4203       73.52914 568.1776       77.61642 138.2572 11.22042 152.9685 10.68022 -14.71136      15.49080 
1 1 1 9   -9  8  o 116.2914 9.025252 327.7791       49.78570 299.0322       77.14101 348.3005       65.17674 109.6597 15.11562 119.3883 11.56346 -9.728622      19.03143 
1 1 1 9   -9  9  o 216.4969 8.791029 1130.882       90.80201 1122.425       160.8235 1134.840       110.0150 213.4771 15.87114 216.4055 10.66634 -2.928375      19.12234 
1 1 1 9   -9  10 o 167.6169 8.882654 678.8414       70.92767 850.1554       130.5771 607.1392       84.47668 185.9756 14.80817 157.9695 11.25931 28.00618       18.60253 
1 1 1 9   -9  11 o 155.7482 11.24103 590.3215       83.13923 654.5869       164.2120 568.1702       96.40874 160.2714 22.01174 152.2197 13.38373 8.051682       25.76122 
1 1 1 9   -9  12 o 214.9892 9.264749 1116.683       95.00317 1130.318       181.7724 1111.558       111.4344 213.2282 17.99890 214.0538 10.92514 -0.8256073     21.05514 
1 1 1 9   -9  13 o 213.2533 11.68579 1105.670       118.6859 977.6014       181.6862 1201.003       156.7545 197.5245 19.49328 221.1393 14.91397 -23.61484      24.54413 
1 1 1 9   -9  14 o 149.1107 10.88685 540.9775       77.07549 371.0234       138.0276 617.9842       92.91042 118.7088 25.10612 159.0478 12.31466 -40.33903      27.96370 
1 1 1 9   -9  15 o 245.0464 10.02999 1454.011       117.2569 1264.271       226.5232 1523.461       137.0464 223.3793 21.47530 250.3474 11.48084 -26.96806      24.35156 
1 1 1 9   -9  16 o 130.5056 12.76230 418.9341       78.61144 314.3562       149.5449 458.8668       92.40927 107.4663 28.60392 136.1283 14.41795 -28.66198      32.03220 
1 1 1 9   -9  17 o 244.4059 10.42298 1451.020       121.5105 1686.663       225.8708 1355.048       144.1461 259.3412 18.33534 235.1873 12.86882 24.15387       22.40070 
1 1 1 9   -9  18 o 165.4567 12.10783 671.1591       95.11339 848.4543       176.4180 598.5075       112.9320 182.1028 20.62646 154.9759 15.44762 27.12694       25.76974 
1 1 1 9   -9  19 o 132.5098 15.51512 439.9188       96.43157 342.2720       171.0131 485.4419       116.7659 110.0482 31.12158 138.1850 18.10990 -28.13679      36.00724 
1 1 1 9   -9  20 o 43.64043 19.78312 -40.35092      89.13536 -77.71593      178.7089 -27.97712      102.8407 60.10279 27.53880 48.57135 21.69667 11.53144       35.05896 
1 1 1 9   -9  21 o 229.1464 13.66240 1299.264       148.9951 1364.712       351.8596 1284.965       164.4684 215.9374 35.30125 226.9402 15.24721 -11.00284      38.45330 
1 1 1 9   -9  22 o 186.8310 17.28716 889.7295       152.6612 831.0778       357.8807 902.7758       168.7882 153.0559 45.54381 186.9091 19.15965 -33.85313      49.40982 
1 1 1 9   -9  23 o 44.37641 19.57769 -10.38516      81.16829 -176.6019      213.7031 17.63593       87.74369 58.26919 27.76498 49.76143 21.14355 8.507759       34.89906 
1 1 1 9   -9  24 o 120.6136 18.82607 384.0018       105.0140 571.9407       236.0205 337.6122       117.2604 132.2258 36.25686 110.5042 22.94678 21.72160       42.90821 
1 1 1 9   -9  25 o 156.3005 23.14316 675.6650       167.7194 943.3963       415.0017 623.3998       183.3607 145.2318 49.69143 146.4140 27.19571 -1.182205      56.64666 
1 1 1 9   -9  26 o 162.2508 20.06022 714.4587       152.2967 634.8442       283.6379 746.7103       180.5276 126.9478 41.01710 161.9365 24.04706 -34.98869      47.54644 
1 1 1 9   -9  27 o 64.07886 23.09419 111.0937       90.44617 187.3671       270.3392 101.4800       95.97709 81.55621 35.86423 62.67659 23.57770 18.87962       42.92029 
1 1 1 9   -8  0  o 316.7036 7.604085 2409.025       115.1353 2409.025       115.1353 0.000000       0.000000 316.7036 7.604085 ?        ?        0.000000       7.604085 
1 1 1 9   -8  1  o 172.7809 8.477000 719.4946       69.81013 719.4946       69.81013 0.000000       0.000000 172.7809 8.477000 ?        ?        0.000000       8.477000 
1 1 1 9   -8  2  o 95.91347 11.86374 225.6732       53.24269 225.6732       53.24269 0.000000       0.000000 95.91347 11.86374 ?        ?        0.000000       11.86374 
1 1 1 9   -8  3  o 145.5529 9.460071 512.2067       65.47333 512.2067       65.47333 0.000000       0.000000 145.5529 9.460071 ?        ?        0.000000       9.460071 
1 1 1 9   -8  4  o 213.8439 8.087422 1100.490       82.53384 1100.490       82.53384 0.000000       0.000000 213.8439 8.087422 ?        ?        0.000000       8.087422 
1 1 1 9   -8  5  o 327.5563 7.689293 2577.204       120.4150 2577.204       120.4150 0.000000       0.000000 327.5563 7.689293 ?        ?        0.000000       7.689293 
1 1 1 9   -8  6  o 90.00915 13.86791 201.0903       57.76309 201.0903       57.76309 0.000000       0.000000 90.00915 13.86791 ?        ?        0.000000       13.86791 
1 1 1 9   -8  7  o 121.5285 8.168633 356.5922       47.18521 330.4704       67.64053 381.3533       65.85522 116.2079 12.36445 125.1832 11.11919 -8.975296      16.62877 
1 1 1 9   -8  8  o 148.9303 9.102065 535.8694       64.49887 497.9148       125.1546 549.5952       75.26320 141.0230 19.04972 150.5684 10.52161 -9.545319      21.76227 
1 1 1 9   -8  9  o 241.6272 8.500869 1405.980       98.04838 1586.378       188.0351 1338.614       114.9063 254.5499 15.52487 235.3686 10.23591 19.18129       18.59558 
1 1 1 9   -8  10 o 73.30577 14.05385 134.8840       47.46225 39.17502       134.3003 148.5435       50.73622 64.27692 26.65581 76.95973 14.31618 -12.68281      30.25698 
1 1 1 9   -8  11 o 85.54135 13.74924 182.1593       54.32436 171.5777       155.2642 183.6353       57.98970 85.26253 30.31262 85.67231 14.68628 -0.4097824     33.68296 
1 1 1 9   -8  12 o 119.9505 10.84346 350.4843       61.51305 508.0110       118.9454 292.9729       71.87005 142.6543 17.82850 108.8256 14.14826 33.82867       22.76024 
1 1 1 9   -8  13 o 418.3105 9.593778 4220.348       191.8655 4884.346       454.9571 4076.710       211.6027 441.6436 21.61280 410.5111 10.79107 31.13251       24.15699 
1 1 1 9   -8  14 o 216.1583 10.09406 1130.677       104.0268 1092.744       185.5791 1148.057       125.6181 209.4155 18.73348 217.2301 12.14385 -7.814514      22.32524 
1 1 1 9   -8  15 o 137.1549 12.84128 460.9839       83.22405 619.4349       143.8944 381.3378       102.0184 156.8684 19.61416 123.1814 17.84196 33.68697       26.51510 
1 1 1 9   -8  16 o 222.8057 10.50700 1202.622       111.6062 1349.673       200.9899 1137.068       134.1966 233.0766 18.18085 215.8506 13.06527 17.22607       22.38850 
1 1 1 9   -8  17 o 241.2502 11.77334 1414.891       135.3824 1723.844       216.4033 1216.217       173.5356 263.9067 17.24611 221.8364 16.48014 42.07030       23.85421 
1 1 1 9   -8  18 o 350.3443 10.51974 2973.360       176.0014 3371.739       365.1629 2852.810       200.8732 366.0743 20.95205 342.3355 12.29327 23.73883       24.29224 
1 1 1 9   -8  19 o 95.40084 25.63980 243.7886       119.4395 -17.43594      288.9268 297.6308       131.1723 81.35296 36.35157 105.1762 26.18778 -23.82320      44.80219 
1 1 1 9   -8  20 o 350.5906 10.39340 2983.625       174.0150 3083.823       290.9936 2927.846       217.1132 351.6977 17.36000 345.7125 13.16002 5.985229       21.78430 
1 1 1 9   -8  21 o 159.6732 16.85051 640.6057       126.6957 903.3658       216.1311 503.0436       156.3820 184.9253 25.09310 137.5223 24.69254 47.40295       35.20490 
1 1 1 9   -8  22 o 79.55180 26.27776 165.1448       116.1101 212.5646       204.7985 142.6828       140.9524 91.60065 34.44505 77.57814 28.69270 14.02251       44.83004 
1 1 1 9   -8  23 o 50.54350 23.05540 -56.01036      123.4319 618.5057       367.7956 -141.6210      131.0310 134.1266 46.73918 45.75922 21.78629 88.36740       51.56737 
1 1 1 9   -8  24 o 29.23926 14.40983 -145.6976      71.78078 -141.2127      232.3622 -146.1708      75.47221 63.63495 29.90860 30.38046 14.93367 33.25449       33.42962 
1 1 1 9   -8  25 o 105.7654 26.16319 318.6963       131.5565 482.1434       248.6201 255.1348       155.0403 120.1643 38.36102 93.03329 30.34554 27.13100       48.91237 
1 1 1 9   -8  26 o 44.55321 21.55780 -181.9964      140.5843 151.8035       409.1213 -226.6880      149.7000 91.89757 41.94028 44.13577 21.55594 47.76180       47.15555 
1 1 1 9   -8  27 o 163.1045 19.91127 712.3756       152.0501 798.0415       277.4857 675.6168       181.7679 152.1357 38.20807 153.6897 25.64077 -1.554016      46.01419 
1 1 1 9   -8  28 o 66.98892 24.57549 120.6265       103.0520 154.0701       441.7661 118.7019       105.9757 86.81815 40.93884 66.83078 24.84913 19.98737       47.89017 
1 1 1 9   -7  0  f 411.6134 7.402674 4066.428       145.6755 4066.428       145.6755 0.000000       0.000000 411.6134 7.402674 ?        ?        0.000000       7.402674 
1 1 1 9   -7  1  o 333.2742 7.497420 2666.060       119.4598 2666.060       119.4598 0.000000       0.000000 333.2742 7.497420 ?        ?        0.000000       7.497420 
1 1 1 9   -7  2  o 226.0579 7.590174 1228.076       81.91502 1228.076       81.91502 0.000000       0.000000 226.0579 7.590174 ?        ?        0.000000       7.590174 
1 1 1 9   -7  3  o 385.0003 7.383156 3557.335       135.8975 3557.335       135.8975 0.000000       0.000000 385.0003 7.383156 ?        ?        0.000000       7.383156 
1 1 1 9   -7  4  o 351.7223 7.438425 2969.135       125.0804 2969.135       125.0804 0.000000       0.000000 351.7223 7.438425 ?        ?        0.000000       7.438425 
1 1 1 9   -7  5  o 241.7956 7.739604 1405.129       89.35435 1405.129       89.35435 0.000000       0.000000 241.7956 7.739604 ?        ?        0.000000       7.739604 
1 1 1 9   -7  6  o 57.96850 10.31620 83.33555       27.54234 120.3051       48.04847 65.24329       33.61275 69.08250 14.98035 51.00364 13.55439 18.07886       20.20229 
1 1 1 9   -7  7  o 279.8069 8.540246 1883.401       114.1113 1925.764       227.7191 1869.196       131.8616 280.3235 17.07245 278.4422 9.921326 1.881317       19.74592 
1 1 1 9   -7  8  o 135.9488 8.970696 446.3711       57.97968 501.5520       118.4201 428.9724       66.49493 142.1375 17.81680 132.9987 10.54384 9.138809       20.70292 
1 1 1 9   -7  9  o 187.6521 8.394054 847.9241       75.11606 993.9210       138.6647 787.2875       89.36373 201.8171 14.46739 180.4466 10.40277 21.37050       17.81917 
1 1 1 9   -7  10 o 149.8609 9.361727 542.5720       66.73875 779.7358       147.1286 481.1309       74.88629 177.6911 17.54784 140.7496 11.22161 36.94147       20.82910 
1 1 1 9   -7  11 o 38.76453 15.23113 21.65768       41.28925 103.0413       144.2207 14.39168       43.09303 74.48144 28.68899 37.65350 15.29866 36.82793       32.51319 
1 1 1 9   -7  12 o 387.5377 8.247602 3610.174       152.8094 3685.208       253.4148 3567.302       191.5528 389.4466 13.63157 384.4520 10.43132 4.994598       17.16486 
1 1 1 9   -7  13 o 138.3969 11.53410 466.0751       75.62334 666.6041       190.7522 428.6803       82.37324 160.9354 25.65236 132.3214 13.19690 28.61404       28.84790 
1 1 1 9   -7  14 o 174.8926 11.02286 741.8574       91.69789 788.4494       215.9529 731.6089       101.2820 174.5678 26.72453 173.3706 12.29922 1.197189       29.41889 
1 1 1 9   -7  15 o 229.0063 10.79230 1269.828       117.8274 1374.998       237.4118 1235.458       135.7222 234.0598 21.45459 225.3427 12.64869 8.717178       24.90560 
1 1 1 9   -7  16 o 41.68268 19.18574 -61.14283      88.10046 -252.6490      147.5921 44.86494       109.8096 44.09115 21.50562 60.10886 24.42172 -16.01771      32.54093 
1 1 1 9   -7  17 o 166.6249 13.03076 678.7834       102.9799 820.8998       185.5448 615.5173       123.7976 179.8771 22.03536 157.4884 16.69604 22.38867       27.64624 
1 1 1 9   -7  18 o 217.8893 13.11979 1158.582       136.0363 1026.632       297.1515 1193.568       153.0123 194.8842 33.07397 220.6387 14.58747 -25.75455      36.14805 
1 1 1 9   -7  19 f 352.4438 10.42840 3005.249       175.5246 3048.162       341.7514 2989.873       204.5675 349.0085 20.57295 350.7612 12.21744 -1.752747      23.92723 
1 1 1 9   -7  20 o 147.9550 16.03791 543.7390       111.6331 655.2576       196.8279 490.8554       135.5417 157.6181 27.09646 138.6047 21.12095 19.01338       34.35568 
1 1 1 9   -7  21 o 495.6710 9.906826 5943.857       234.7667 6346.042       426.9197 5769.516       281.0819 505.3418 17.69797 486.9424 12.07388 18.39941       21.42421 
1 1 1 9   -7  22 o 209.7134 13.74535 1082.248       137.0534 1256.248       256.3356 1012.596       162.1809 219.2415 24.89589 201.3035 17.01062 17.93797       30.15239 
1 1 1 9   -7  23 o 103.1596 27.88129 292.9059       140.7568 290.5066       222.7957 294.4997       181.5862 102.3831 36.32011 102.4466 32.79252 -0.6345367E-01 48.93363 
1 1 1 9   -7  24 o 88.93279 33.15195 199.1838       188.8591 423.6747       378.1808 124.5972       217.9868 118.0416 46.18034 83.03417 34.15040 35.00748       57.43582 
1 1 1 9   -7  25 o 167.3170 18.33510 714.6572       144.2675 595.8539       259.1184 768.0287       173.6758 138.8114 37.96013 171.4395 21.67294 -32.62810      43.71142 
1 1 1 9   -7  26 o 84.16022 31.54652 187.1757       171.4893 74.35452       245.0512 295.4575       240.0706 78.92341 34.43986 99.38915 37.31052 -20.46574      50.77577 
1 1 1 9   -7  27 o 120.7778 31.56168 444.1271       184.2325 395.9868       267.4578 487.5926       254.1402 108.1006 39.60229 119.7095 38.83767 -11.60894      55.46806 
1 1 1 9   -7  28 o 120.0662 24.73991 407.4138       137.2864 492.1594       238.9063 365.6324       167.7493 120.0234 37.51325 108.9457 30.82776 11.07774       48.55507 
1 1 1 9   -7  29 o 109.4426 36.71722 428.0278       226.5090 228.2330       401.4828 521.3165       274.3400 90.80577 41.48201 115.9850 40.36977 -25.17920      57.88329 
1 1 1 9   -7  30 o 107.5732 33.17498 402.1057       187.5456 446.4426       252.1232 347.1805       280.6183 105.9326 38.50527 94.35854 38.77097 11.57404       54.64288 
1 1 1 9   -6  0  o 175.2606 7.958813 738.6432       66.51295 738.6432       66.51295 0.000000       0.000000 175.2606 7.958813 ?        ?        0.000000       7.958813 
1 1 1 9   -6  1  o 161.0956 7.887351 624.2077       60.56211 624.2077       60.56211 0.000000       0.000000 161.0956 7.887351 ?        ?        0.000000       7.887351 
1 1 1 9   -6  2  o 31.08980 13.08865 2.803050       33.11560 2.803050       33.11560 0.000000       0.000000 31.08980 13.08865 ?        ?        0.000000       13.08865 
1 1 1 9   -6  3  o 141.2775 8.444580 480.8889       56.77705 480.8889       56.77705 0.000000       0.000000 141.2775 8.444580 ?        ?        0.000000       8.444580 
1 1 1 9   -6  4  o 109.6434 13.83129 295.1891       70.89249 295.1891       70.89249 0.000000       0.000000 109.6434 13.83129 ?        ?        0.000000       13.83129 
1 1 1 9   -6  5  o 367.7925 7.459973 3244.868       131.1742 3244.868       131.1742 0.000000       0.000000 367.7925 7.459973 ?        ?        0.000000       7.459973 
1 1 1 9   -6  6  o 452.3228 6.096422 4902.364       131.8353 4785.885       164.0650 5114.644       221.4866 446.6056 7.683929 461.0756 10.04770 -14.47000      12.64908 
1 1 1 9   -6  7  o 418.8834 7.508519 4209.835       150.3681 4140.453       224.6786 4266.125       202.3717 414.2866 11.35435 421.0612 10.05301 -6.774567      15.16523 
1 1 1 9   -6  8  o 175.7169 8.585450 743.4768       71.90652 682.4630       129.5944 770.6163       86.43182 166.6874 16.47737 178.6467 10.16167 -11.95927      19.35881 
1 1 1 9   -6  9  o 194.4638 8.411197 910.0577       78.01476 978.7595       143.9616 881.4937       92.82672 200.2234 15.15161 191.0801 10.19824 9.143372       18.26405 
1 1 1 9   -6  10 o 79.23403 12.16331 155.0340       44.60581 118.0430       89.52086 167.2512       51.44725 70.14314 23.06920 82.06731 13.58748 -11.92418      26.77326 
1 1 1 9   -6  11 o 223.8015 8.904954 1206.018       95.09007 1094.668       180.6073 1248.723       111.8478 210.8009 18.09559 227.4580 10.31214 -16.65712      20.82764 
1 1 1 9   -6  12 o 362.5956 8.276655 3158.721       143.4781 3060.392       236.2295 3216.197       180.6072 355.0092 13.94543 365.2185 10.35410 -10.20932      17.36901 
1 1 1 9   -6  13 o 167.8552 12.14079 684.4192       96.77102 472.6711       172.4964 781.6681       116.8995 134.6148 27.72622 179.0527 13.76149 -44.43785      30.95355 
1 1 1 9   -6  14 o 375.4980 9.622894 3397.109       172.6091 2928.343       375.4075 3522.777       194.3737 342.2591 23.07735 382.0489 10.65208 -39.78986      25.41714 
1 1 1 9   -6  15 o 551.7889 20.57606 7538.071       541.8538 7140.991       771.5919 7924.437       761.1097 525.9236 30.82226 556.8380 28.68642 -30.91443      42.10609 
1 1 1 9   -6  16 o 155.9928 14.89635 597.5847       109.7469 704.0795       250.3741 572.2571       122.1020 161.7783 33.47580 151.9812 17.10090 9.797073       37.59082 
1 1 1 9   -6  17 f 285.8060 13.62527 1989.250       185.6404 1882.454       284.3011 2068.629       245.1078 274.0685 21.87910 289.6110 17.78829 -15.54248      28.19784 
1 1 1 9   -6  18 o 167.5427 14.66328 689.4976       116.2706 613.8550       294.6991 703.4430       126.5353 146.5101 40.64741 168.8624 15.85930 -22.35231      43.63174 
1 1 1 9   -6  19 o 319.1099 12.71716 2476.669       193.6280 2413.808       345.0374 2505.566       233.9368 308.7013 23.55655 319.7249 15.34914 -11.02362      28.11596 
1 1 1 9   -6  20 o 233.5884 14.26140 1335.676       158.5065 1263.540       253.0290 1382.267       203.3509 222.3681 24.19010 235.9446 18.16697 -13.57654      30.25226 
1 1 1 9   -6  21 o 72.67477 25.71537 122.3979       111.6252 497.4452       324.7584 72.15315       118.8674 131.0705 43.96492 65.57922 25.81999 65.49124       50.98613 
1 1 1 9   -6  22 o 273.0318 14.36298 1827.185       186.8253 2054.696       296.8286 1677.929       240.4204 284.9922 21.95445 258.8836 19.56981 26.10864       29.41047 
1 1 1 9   -6  23 o 167.8765 23.37300 730.4159       182.5113 670.3774       364.0555 750.5709       210.9331 145.7271 46.40883 168.0248 27.18609 -22.29774      53.78535 
1 1 1 9   -6  24 o 83.20885 30.00631 170.4047       152.7166 -78.48898      227.6484 374.0712       205.9290 68.64154 31.31074 114.3002 34.67028 -45.65868      46.71607 
1 1 1 9   -6  25 o 306.0849 15.64455 2326.177       228.1762 2763.186       398.8033 2113.496       278.2136 323.4114 26.01181 288.0587 20.33239 35.35278       33.01545 
1 1 1 9   -6  26 o 78.44006 29.08010 147.5120       144.9380 82.80624       209.6960 206.7000       200.5560 77.89119 32.87186 90.30338 34.05835 -12.41219      47.33424 
1 1 1 9   -6  27 o 145.3129 18.54264 543.8052       125.8895 583.5099       233.9551 527.6237       149.3553 138.6081 35.23437 140.4955 23.03311 -1.887314      42.09495 
1 1 1 9   -6  28 f 53.84587 23.18921 15.14567       108.1586 128.4604       222.6459 -19.85533      123.7404 80.64398 33.94361 53.20419 23.78045 27.43979       41.44488 
1 1 1 9   -6  29 o 78.16737 30.14758 158.6025       159.4050 226.1143       228.2209 94.29204       222.7442 89.15785 35.56072 76.56673 33.12726 12.59112       48.60021 
1 1 1 9   -6  30 o 62.46619 27.55221 24.76017       160.6738 -112.1626      230.3909 154.4118       224.1902 62.43845 29.47972 80.28723 33.94131 -17.84879      44.95627 
1 1 1 9   -6  31 o 101.5822 32.13566 347.8186       174.8071 343.9918       255.0599 351.2083       240.0513 95.77342 37.78697 97.12893 37.11393 -1.355507      52.96508 
1 1 1 9   -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -5  2  o 246.2477 9.936606 1458.916       116.7416 1458.916       116.7416 0.000000       0.000000 246.2477 9.936606 ?        ?        0.000000       9.936606 
1 1 1 9   -5  3  o 217.1040 10.04473 1134.722       103.9767 1134.722       103.9767 0.000000       0.000000 217.1040 10.04473 ?        ?        0.000000       10.04473 
1 1 1 9   -5  4  o 352.2766 7.106398 2973.986       119.6855 2973.986       119.6855 0.000000       0.000000 352.2766 7.106398 ?        ?        0.000000       7.106398 
1 1 1 9   -5  5  o 74.73383 12.23051 137.9418       42.18868 137.9418       42.18868 0.000000       0.000000 74.73383 12.23051 ?        ?        0.000000       12.23051 
1 1 1 9   -5  6  o 193.3258 7.463597 897.3241       68.85410 982.8074       110.9304 843.7505       87.81837 201.7470 11.54924 187.1499 9.849608 14.59711       15.17893 
1 1 1 9   -5  7  o 271.4116 7.338246 1767.240       95.13281 1889.681       147.7407 1680.513       124.3412 280.0350 11.05691 264.2786 9.858404 15.75641       14.81362 
1 1 1 9   -5  8  f 96.12897 9.798080 224.3319       44.40133 212.8854       98.18482 227.2745       49.78255 91.32642 22.60904 96.57716 10.97638 -5.250748      25.13264 
1 1 1 9   -5  9  o 76.72510 12.04039 145.2304       42.71336 93.33355       105.0107 155.5188       46.75595 67.65607 24.80997 79.31617 12.76307 -11.66010      27.90037 
1 1 1 9   -5  10 o 116.2973 10.32990 327.9012       56.83775 292.6789       125.1317 337.0574       63.79900 106.6298 24.98531 117.7319 11.48041 -11.10208      27.49664 
1 1 1 9   -5  11 o 189.3619 8.907000 863.3472       80.41065 1031.980       153.4525 799.5156       94.41060 205.5977 15.73107 181.8794 10.90759 23.71829       19.14268 
1 1 1 9   -5  12 o 236.4861 9.236491 1346.462       104.2282 1295.751       196.8307 1366.222       122.8686 229.6791 18.07060 237.9018 10.83117 -8.222672      21.06801 
1 1 1 9   -5  13 o 352.4920 11.39326 2999.883       191.7498 3177.475       246.2138 2726.138       305.6845 361.7779 14.26310 332.9248 19.28778 28.85309       23.98864 
1 1 1 9   -5  14 o 422.1144 15.34893 4336.311       309.2380 4740.697       448.0788 3968.532       427.3167 437.7083 21.47778 399.7639 22.44843 37.94431       31.06811 
1 1 1 9   -5  15 o 257.8983 10.33793 1604.911       127.2065 2021.106       268.9232 1484.946       144.3805 286.0641 19.78520 247.5887 12.23536 38.47543       23.26281 
1 1 1 9   -5  16 o 183.0342 12.23204 813.4265       106.4240 837.3679       191.7596 802.7700       127.9350 182.4875 22.45213 181.1500 14.90382 1.337509       26.94850 
1 1 1 9   -5  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -5  18 o 64.99899 25.84526 63.54576       120.1896 -43.44805      170.2741 169.7879       169.6749 63.01373 28.04781 86.65630 31.57469 -23.64256      42.23317 
1 1 1 9   -5  19 f 194.4967 16.97765 933.8124       156.2886 814.7577       306.8597 975.5128       181.6086 171.0689 38.45730 197.8677 19.44894 -26.79884      43.09554 
1 1 1 9   -5  20 o 67.49471 22.84265 108.2872       87.66355 243.3009       187.5819 70.56041       99.15790 97.74927 33.40909 62.09089 23.82132 35.65838       41.03197 
1 1 1 9   -5  21 o 126.2094 19.28901 402.6870       112.6994 236.8791       301.8342 429.5477       121.4855 104.3276 41.12329 130.1132 20.18311 -25.78561      45.80920 
1 1 1 9   -5  22 o 162.6442 17.86458 659.7291       136.6280 661.3530       200.3969 658.3185       186.7649 158.6370 27.41395 159.2596 25.38022 -0.6226196     37.35881 
1 1 1 9   -5  23 o 230.1111 15.25271 1301.893       166.8534 1516.935       319.6647 1221.366       195.6151 240.7569 28.31260 221.3325 18.65989 19.42433       33.90862 
1 1 1 9   -5  24 o 176.6304 15.30813 771.1039       127.9944 1029.850       218.2805 635.5182       158.0101 200.3578 23.21692 157.6923 21.51968 42.66557       31.65631 
1 1 1 9   -5  25 o 152.1646 21.52902 596.4633       152.2504 459.6198       217.2617 728.5084       213.4187 126.5482 34.82051 164.5739 28.13470 -38.02574      44.76639 
1 1 1 9   -5  26 o 163.5452 17.06780 672.2238       131.4897 742.0960       226.9430 636.9144       161.3278 164.2238 30.01047 156.6059 22.16611 7.617920       37.30904 
1 1 1 9   -5  27 o 54.23355 23.35788 7.395441       109.7533 243.2776       205.9003 -86.22791      129.7184 95.37628 34.77771 49.62526 22.99649 45.75103       41.69326 
1 1 1 9   -5  28 o 65.71220 25.61672 86.18340       116.0311 14.33144       215.4442 115.5391       137.7088 72.17346 31.86612 72.68373 28.02402 -0.5102692     42.43578 
1 1 1 9   -5  29 o 204.6680 19.25675 1086.259       186.2121 1257.766       267.2485 924.4219       259.6052 212.9380 26.84699 177.5633 31.74636 35.37466       41.57634 
1 1 1 9   -5  30 o 101.7590 35.68483 332.7991       214.5964 174.7796       412.7342 391.3443       251.2238 93.59486 42.48459 107.5847 38.52415 -13.98981      57.35025 
1 1 1 9   -5  31 o 198.2795 21.84846 1067.840       203.6835 1207.157       306.0038 957.0124       272.9291 195.9123 33.89708 173.8440 34.05712 22.06831       48.05101 
1 1 1 9   -5  32 o 66.27232 31.05903 -50.76295      247.5087 255.4157       721.5926 -91.58846      263.4938 94.12943 46.25116 65.80930 31.20596 28.32014       55.79410 
1 1 1 9   -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -4  5  o 403.5272 7.118368 3900.609       137.3288 3900.609       137.3288 0.000000       0.000000 403.5272 7.118368 ?        ?        0.000000       7.118368 
1 1 1 9   -4  6  o 197.1776 7.274343 932.7169       68.45649 926.8510       104.9511 937.0606       90.31363 196.0691 11.24331 197.3760 9.599640 -1.306961      14.78395 
1 1 1 9   -4  7  o 272.2314 7.349536 1777.011       95.56725 1749.844       144.7461 1798.005       127.2442 269.5838 11.25540 273.5190 9.746231 -3.935181      14.88869 
1 1 1 9   -4  8  o 375.3327 7.502782 3376.106       134.6316 3392.153       205.0343 3363.944       178.5061 375.4219 11.43682 374.1578 9.987998 1.264130       15.18423 
1 1 1 9   -4  9  o 138.2409 9.137269 460.6068       60.05082 549.2629       125.1976 434.1158       68.43703 149.4442 17.87727 133.9679 10.77602 15.47630       20.87389 
1 1 1 9   -4  10 o 207.8746 8.648113 1038.556       85.75937 1180.599       157.1473 978.3120       102.3426 220.5168 14.99506 201.4573 10.66387 19.05959       18.40027 
1 1 1 9   -4  11 o 270.1088 8.474697 1752.307       109.3034 1894.009       188.2814 1680.275       134.2401 279.6776 14.12701 264.1295 10.65244 15.54813       17.69313 
1 1 1 9   -4  12 o 342.1982 8.292422 2809.956       135.6649 3108.849       226.5153 2642.771       169.4101 358.6412 13.23349 331.2691 10.71078 27.37213       17.02486 
1 1 1 9   -4  13 o 340.0733 8.573800 2778.401       139.2861 3004.654       237.5074 2659.797       171.9611 352.1687 14.13518 332.2332 10.84079 19.93552       17.81365 
1 1 1 9   -4  14 o 106.1925 16.81833 280.7421       82.54422 147.8981       191.1904 311.1769       91.51256 86.97604 33.14939 111.6950 17.72874 -24.71900      37.59243 
1 1 1 9   -4  15 o 245.9583 11.95384 1463.388       140.1441 1504.698       209.4816 1429.919       188.5537 247.6562 17.81142 241.8666 16.40318 5.789612       24.21386 
1 1 1 9   -4  16 o 435.8048 16.86821 4637.505       350.7911 4388.595       502.2919 4874.497       490.1191 418.5446 25.21886 442.6901 23.23898 -24.14557      34.29346 
1 1 1 9   -4  17 o 429.1101 12.79682 4458.048       262.2369 4659.594       324.3775 4077.830       445.5335 437.4077 15.53625 404.6195 23.12799 32.78818       27.86179 
1 1 1 9   -4  18 o 132.4228 18.48774 437.5983       113.8596 462.6776       263.4069 431.8355       126.2651 130.1271 39.15560 130.7974 20.89460 -0.6702271     44.38181 
1 1 1 9   -4  19 o 350.7853 12.41816 2981.417       207.9320 3227.221       368.7738 2866.845       251.7704 360.2336 21.51047 342.7343 15.40458 17.49927       26.45754 
1 1 1 9   -4  20 o 256.3933 14.65315 1604.607       178.8684 1542.649       296.1890 1640.174       224.4101 246.3012 25.52272 257.7407 18.33137 -11.43951      31.42369 
1 1 1 9   -4  21 o 192.0298 16.23052 908.3699       147.6140 894.0247       290.0498 913.3842       171.4826 181.5667 34.67818 191.5400 18.97546 -9.973236      39.53030 
1 1 1 9   -4  22 o 214.9174 14.37406 1130.767       146.8437 944.1949       228.0497 1262.915       191.9274 191.4652 25.55052 225.7432 17.93057 -34.27798      31.21433 
1 1 1 9   -4  23 o 556.3500 10.34422 7478.693       275.1402 7430.853       428.5348 7512.246       358.8798 550.0054 16.31515 555.5102 13.51290 -5.504822      21.18449 
1 1 1 9   -4  24 o 130.6857 19.31616 431.7730       117.0546 352.7456       197.3310 474.6775       145.3979 113.4718 33.83186 135.6025 23.26489 -22.13069      41.05910 
1 1 1 9   -4  25 o 181.4120 15.91995 814.2643       136.6770 892.1198       221.5361 766.4189       173.6682 185.1992 25.71325 173.6466 21.36939 11.55254       33.43385 
1 1 1 9   -4  26 o 198.2430 18.05650 985.3701       169.2591 655.3185       365.2386 1075.637       191.0075 143.8206 46.55113 206.3547 19.59587 -62.53412      50.50748 
1 1 1 9   -4  27 o 187.3186 17.20400 879.8151       152.3509 931.6124       264.3028 854.0406       186.4418 183.7202 31.20617 181.9916 21.86549 1.728531       38.10413 
1 1 1 9   -4  28 o 168.0880 22.84321 738.8055       178.8242 712.6647       264.1858 760.9108       242.9392 155.5004 36.21365 164.1894 32.09968 -8.689072      48.39233 
1 1 1 9   -4  29 f 212.3351 22.14044 1175.786       221.4605 1160.977       427.5455 1181.216       258.8994 184.0233 48.07620 209.2360 26.47289 -25.21272      54.88293 
1 1 1 9   -4  30 o 72.58296 30.20082 89.29711       173.2138 336.8501       249.0574 -142.6145      241.0608 104.0358 38.19888 64.53245 30.37184 39.50338       48.80167 
1 1 1 9   -4  31 o 83.36087 34.20952 170.2192       218.1233 -49.13471      437.8974 242.6054       251.5518 85.32769 40.39282 91.88559 37.09676 -6.557899      54.84296 
1 1 1 9   -4  32 o 71.06574 27.87335 121.9078       138.0678 185.1634       270.4978 99.62164       160.5580 86.03083 36.85479 70.40842 29.16717 15.62241       46.99999 
1 1 1 9   -4  33 o 139.6143 26.14411 576.0527       168.0951 638.0590       443.9328 565.6746       181.6184 110.5745 47.28793 135.3711 28.93954 -24.79662      55.44047 
1 1 1 9   -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -3  6  o 340.8821 7.039569 2782.374       114.7251 2874.082       168.4708 2703.071       156.6636 345.9875 10.19600 335.5872 9.775012 10.40030       14.12478 
1 1 1 9   -3  7  o 204.7216 7.596207 1005.260       74.21900 1091.697       122.1397 954.6585       93.45129 212.8257 12.05322 199.2624 9.840046 13.56335       15.55978 
1 1 1 9   -3  8  o 226.0488 7.690541 1225.532       82.99167 1265.453       132.9985 1200.075       106.2062 229.1398 12.18434 223.4329 9.967563 5.706894       15.74199 
1 1 1 9   -3  9  o 259.4161 8.641878 1615.123       107.0303 1644.908       205.0642 1603.971       125.4774 260.4303 16.55557 258.3184 10.18012 2.111847       19.43507 
1 1 1 9   -3  10 o 407.7186 9.363188 3988.090       182.5125 4555.540       426.7213 3861.042       201.9130 432.2762 20.70807 400.8417 10.54534 31.43454       23.23851 
1 1 1 9   -3  11 o 327.2185 8.090655 2566.813       126.5697 2828.226       204.5223 2404.554       161.1317 342.5754 12.50852 316.1964 10.67429 26.37906       16.44395 
1 1 1 9   -3  12 o 347.3439 13.81000 2914.124       228.8732 2995.025       327.9925 2837.347       319.5249 350.2998 19.66358 340.9174 19.68786 9.382385       27.82567 
1 1 1 9   -3  13 o 254.5333 9.518812 1557.836       115.6299 1799.163       194.1441 1425.172       143.9453 272.4319 14.96335 242.9262 12.43547 29.50568       19.45618 
1 1 1 9   -3  14 o 167.3406 12.96245 679.3711       102.8963 628.1460       183.1727 702.9880       124.3744 157.6932 25.13971 169.7164 15.49935 -12.02324      29.53362 
1 1 1 9   -3  15 o 544.5524 8.768211 7120.331       228.2753 7058.657       346.6211 7167.566       303.3492 540.5753 13.41190 545.4312 11.63307 -4.855896      17.75409 
1 1 1 9   -3  16 o 226.6999 12.32030 1243.814       133.0288 1263.353       230.7309 1234.084       162.8142 225.6387 21.65415 225.0844 15.21947 0.5543976      26.46762 
1 1 1 9   -3  17 o 144.7864 15.46555 514.6715       105.3978 588.8814       231.8310 495.3367       118.3342 148.8751 33.39600 141.3777 17.90857 7.497391       37.89472 
1 1 1 9   -3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -3  19 o 267.6481 14.44719 1743.521       184.1803 2077.257       311.7518 1564.579       228.2780 288.5272 22.78510 251.8084 19.10462 36.71877       29.73462 
1 1 1 9   -3  20 o 198.8058 16.20775 969.9810       152.7139 915.2181       223.8410 1017.666       208.8750 189.5981 25.32727 201.5112 22.04001 -11.91312      33.57428 
1 1 1 9   -3  21 o 331.3803 14.85091 2677.530       234.6840 2756.007       349.7353 2613.247       316.5299 332.2852 22.14140 324.5071 20.50733 7.778046       30.17933 
1 1 1 9   -3  22 o 143.7449 17.48153 513.9541       117.6708 507.5186       204.6229 517.1339       143.8324 137.3317 31.79368 142.7240 21.76687 -5.392212      38.53095 
1 1 1 9   -3  23 o 220.7584 17.96039 1207.576       187.9214 1321.149       343.3424 1159.002       224.5400 222.0190 33.37866 214.2561 22.24392 7.762894       40.11143 
1 1 1 9   -3  24 o 261.2460 14.76508 1671.915       183.6634 1794.642       286.4802 1586.273       239.3150 266.4083 22.70881 251.9020 20.03645 14.50630       30.28448 
1 1 1 9   -3  25 o 131.8620 25.32698 455.0725       153.8638 501.7282       221.0113 411.1931       214.3348 134.5495 34.26905 121.7414 34.97750 12.80816       48.96727 
1 1 1 9   -3  26 o 56.29317 25.53666 -65.05153      148.8360 -17.15979      211.2507 -112.2560      209.7295 71.55241 31.57480 64.45498 29.64352 7.097435       43.30943 
1 1 1 9   -3  27 o 129.0626 31.94629 463.6767       196.0513 646.9513       378.7659 396.6051       229.1337 142.9758 47.46980 117.8248 36.72458 25.15094       60.01730 
1 1 1 9   -3  28 o 84.49464 31.00278 174.0070       164.0143 336.3891       235.2899 20.52527       228.7508 108.7699 37.40955 75.82912 33.17811 32.94076       50.00261 
1 1 1 9   -3  29 o 172.7669 22.63743 778.8256       182.4867 861.6094       269.1132 708.3558       248.2928 173.7240 33.61705 156.7215 34.10890 17.00258       47.89074 
1 1 1 9   -3  30 o 86.15997 34.17646 168.8477       209.6785 626.3436       420.2896 17.24922       241.9371 132.7560 49.46190 75.99326 33.65034 56.76278       59.82328 
1 1 1 9   -3  31 o 100.9255 27.52603 291.0539       136.4592 273.9720       262.5301 297.3775       159.7328 97.55951 38.38398 100.6184 30.53788 -3.058846      49.04989 
1 1 1 9   -3  32 o 67.99117 27.12549 98.25475       132.8260 289.4957       269.0291 36.61074       152.7405 96.59903 38.58243 63.43103 27.43805 33.16800       47.34396 
1 1 1 9   -3  33 o 196.7825 16.80973 1001.299       156.6321 977.5775       254.6508 1015.734       198.6558 179.9109 30.70718 193.3331 21.87642 -13.42216      37.70290 
1 1 1 9   -3  34 o 68.15849 26.41535 120.5207       122.8186 -264.0070      221.8463 290.4632       147.4821 53.29961 26.07626 95.31897 29.42297 -42.01936      39.31517 
1 1 1 9   -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -2  6  o 370.0539 6.973274 3278.098       123.3701 3368.744       176.6786 3191.844       172.3455 374.7412 9.870118 364.7594 9.892047 9.981781       13.97397 
1 1 1 9   -2  7  f 714.9202 7.849347 12240.15       268.2869 12950.52       383.3768 11558.42       375.5735 734.7474 10.91389 694.0421 11.31881 40.70526       15.72350 
1 1 1 9   -2  8  o 372.1715 7.350247 3316.514       130.7837 3455.051       192.2872 3197.260       178.4042 379.3792 10.61195 364.9946 10.23385 14.38452       14.74263 
1 1 1 9   -2  9  o 640.4307 7.900550 9823.904       241.9011 10204.71       351.4201 9480.980       333.4837 652.0563 11.27284 628.5479 11.09757 23.50842       15.81875 
1 1 1 9   -2  10 o 245.6214 8.502558 1447.380       99.69394 1617.421       160.0489 1339.576       127.4363 259.0685 12.96319 235.9473 11.33028 23.12112       17.21684 
1 1 1 9   -2  11 o 419.7078 8.101329 4220.858       162.5592 4179.692       244.2849 4253.575       217.7785 416.8411 12.27131 420.8016 10.83404 -3.960571      16.36953 
1 1 1 9   -2  12 o 378.0636 8.444987 3426.236       152.6414 3524.369       233.6892 3353.213       201.5861 382.5415 12.79568 373.4340 11.30417 9.107513       17.07377 
1 1 1 9   -2  13 o 437.7487 10.26290 4601.058       214.7847 4648.759       484.4992 4589.390       239.6170 435.4139 23.36012 436.8011 11.48424 -1.387207      26.03043 
1 1 1 9   -2  14 o 292.7707 10.13185 2061.012       141.6021 2143.943       227.6554 2008.681       180.8420 297.3078 16.07614 288.4475 13.14824 8.860260       20.76821 
1 1 1 9   -2  15 o 115.6304 18.31238 332.4525       97.86504 460.6240       135.8135 194.0216       141.1445 135.6789 21.66572 89.24374 28.94254 46.43518       36.15347 
1 1 1 9   -2  16 o 61.07419 21.12494 83.23363       75.06744 189.3375       133.1607 33.80610       90.88560 87.73021 28.08154 55.00314 22.26515 32.72707       35.83727 
1 1 1 9   -2  17 o 207.9783 15.46867 1054.208       152.7069 1279.535       261.6043 937.7454       188.0751 226.1458 24.59179 194.6476 20.51869 31.49821       32.02769 
1 1 1 9   -2  18 o 99.67455 32.70719 248.7971       179.9883 358.8017       291.5520 181.0552       228.7914 119.2893 41.61076 94.89304 36.23955 24.39626       55.17935 
1 1 1 9   -2  19 o 113.1946 26.25990 332.7458       139.3546 367.3006       305.8217 323.6907       156.5522 120.3901 42.56756 111.1141 29.12244 9.275917       51.57629 
1 1 1 9   -2  20 o 162.0583 20.61006 656.4216       156.0757 423.6638       318.7359 729.8345       179.0050 126.5753 43.54051 170.3164 22.53620 -43.74108      49.02710 
1 1 1 9   -2  21 o 86.63042 29.27581 182.6576       143.9919 488.2299       319.2693 104.6318       161.3316 133.2962 43.55068 77.24883 30.17963 56.04742       52.98558 
1 1 1 9   -2  22 o 243.3488 17.01344 1455.312       196.6913 1610.396       345.4598 1380.924       239.2584 249.5258 29.52999 235.1055 21.52468 14.42024       36.54219 
1 1 1 9   -2  23 o 267.2060 15.44207 1747.220       196.4292 1517.207       290.5235 1940.913       266.6012 244.2354 25.24421 279.4854 20.08634 -35.25003      32.26037 
1 1 1 9   -2  24 o 100.7923 26.76348 268.2106       131.1167 149.0988       207.2498 347.7001       169.3058 87.47311 34.19666 113.7211 30.51017 -26.24801      45.82883 
1 1 1 9   -2  25 o 177.3656 18.36068 784.6071       153.4433 732.9592       237.2541 821.7441       201.1830 165.2417 31.17485 178.9707 24.12657 -13.72896      39.42034 
1 1 1 9   -2  26 o 220.7386 16.64591 1204.127       174.3743 1274.466       269.5196 1153.486       228.6859 222.2031 25.85288 213.0204 22.80952 9.182678       34.47675 
1 1 1 9   -2  27 o 72.22441 29.17382 79.28280       155.6636 79.68409       380.7072 79.20225       170.5738 98.31386 42.91357 74.39884 30.35902 23.91502       52.56657 
1 1 1 9   -2  28 o 335.0363 16.45275 2778.816       262.7293 2789.925       391.3965 2769.706       354.4550 328.3431 25.12418 329.4993 22.63838 -1.156158      33.81894 
1 1 1 9   -2  29 o 334.7786 16.38920 2785.686       261.5183 2931.601       400.5698 2677.290       345.2506 334.9261 25.20102 322.7880 22.51333 12.13812       33.79262 
1 1 1 9   -2  30 o 110.2000 34.50493 352.6607       202.0315 446.9048       266.1565 224.5324       310.3362 120.8702 39.77887 99.11567 40.75393 21.75453       56.94946 
1 1 1 9   -2  31 o 87.79832 32.00165 202.6375       174.3159 -147.5160      443.4150 266.6435       189.5796 87.25474 41.10490 97.12274 33.57217 -9.868004      53.07262 
1 1 1 9   -2  32 o 103.5585 30.32445 316.4401       159.7156 321.0081       276.7850 314.1598       195.5581 102.0884 39.63005 101.6216 34.11678 0.4668655      52.29240 
1 1 1 9   -2  33 o 90.35049 34.99112 241.2304       215.3944 -90.44558      287.9079 662.8641       324.6117 71.26266 33.42979 131.9502 43.94936 -60.68753      55.21863 
1 1 1 9   -2  34 o 130.9511 37.61196 597.2822       247.8740 464.4924       384.3009 691.8818       324.3648 106.6965 44.73241 131.3344 43.93663 -24.63789      62.70101 
1 1 1 9   -2  35 o 89.67751 30.03919 261.0801       151.6141 385.6913       235.8712 173.3448       197.9172 100.7645 37.14383 78.21960 32.39130 22.54487       49.28347 
1 1 1 9   -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   -1  6  o 313.9517 9.886368 2364.568       148.2062 2364.568       148.2062 0.000000       0.000000 313.9517 9.886368 ?        ?        0.000000       9.886368 
1 1 1 9   -1  7  o 175.3436 7.662876 737.5092       64.08258 739.5013       91.19225 735.5657       90.07105 175.2662 10.93759 174.8094 10.83054 0.4568024      15.39258 
1 1 1 9   -1  8  f 165.8117 8.472077 660.2219       66.93781 735.3755       100.7145 600.7562       89.58804 174.6245 12.13922 157.7713 11.96643 16.85313       17.04571 
1 1 1 9   -1  9  o 452.8312 7.690280 4909.949       166.4895 4894.575       238.6424 4924.528       232.3857 451.7203 11.05019 453.1454 10.72663 -1.425110      15.40024 
1 1 1 9   -1  10 o 360.3614 8.062786 3110.147       138.9094 3098.252       202.9804 3120.625       190.5075 359.0847 11.83977 360.4974 11.06665 -1.412659      16.20650 
1 1 1 9   -1  11 o 211.6951 10.08509 1077.030       101.7767 1225.298       158.5834 973.1880       132.7147 225.1689 14.81358 200.7022 13.91735 24.46667       20.32572 
1 1 1 9   -1  12 o 299.6111 10.18715 2155.574       145.7091 2019.736       259.2716 2218.282       176.1599 288.3950 18.90867 303.6538 12.15903 -15.25876      22.48065 
1 1 1 9   -1  13 f 207.9585 12.50187 1043.230       123.7229 920.3912       193.0913 1128.790       161.1498 193.5763 21.21114 215.7978 15.72773 -22.22154      26.40594 
1 1 1 9   -1  14 o 342.0898 9.351533 2809.094       152.8001 2739.249       251.0659 2850.185       192.5713 336.5488 15.64666 344.1783 11.72017 -7.629486      19.54943 
1 1 1 9   -1  15 o 83.41914 23.13883 175.3136       95.50922 232.9132       124.5468 93.08632       148.8096 95.77045 26.36867 74.95100 29.06851 20.81945       39.24647 
1 1 1 9   -1  16 o 203.1869 14.95636 1002.498       144.2699 1070.203       236.0545 962.1296       182.2744 207.4435 24.25904 197.9474 19.51402 9.496185       31.13355 
1 1 1 9   -1  17 o 241.3684 13.22782 1409.330       152.0596 1326.173       226.7960 1477.238       204.9492 232.1376 20.65064 246.0482 17.53777 -13.91054      27.09285 
1 1 1 9   -1  18 o 294.2416 15.62582 2104.197       219.0258 2172.217       336.8425 2054.371       288.2921 295.7156 24.03260 288.8160 21.02263 6.899658       31.92987 
1 1 1 9   -1  19 o 391.6695 20.35353 3772.066       379.8179 3772.066       379.8179 0.000000       0.000000 391.6695 20.35353 ?        ?        0.000000       20.35353 
1 1 1 9   -1  20 o 274.4114 16.28301 1838.718       212.6612 1991.926       296.1692 1675.655       305.5467 283.2294 22.04575 258.2193 25.06526 25.01010       33.38087 
1 1 1 9   -1  21 f 100.7049 31.26879 261.5150       166.2849 484.9631       204.1557 -178.8973      286.6175 135.0384 32.09710 74.27792 34.33726 60.76050       47.00288 
1 1 1 9   -1  22 o 356.8658 15.20129 3102.700       258.7604 3020.213       394.9136 3164.758       342.5353 347.3053 23.93014 357.9279 20.09784 -10.62265      31.25019 
1 1 1 9   -1  23 o 133.9625 23.58275 459.6565       145.5242 293.2328       218.1758 593.0383       195.3203 106.7775 36.03662 150.7209 28.14067 -43.94341      45.72237 
1 1 1 9   -1  24 o 286.6201 15.98426 2012.706       218.1644 1878.819       320.9623 2127.688       297.4406 272.2090 24.93971 291.9205 21.46218 -19.71152      32.90311 
1 1 1 9   -1  25 o 207.3118 17.62519 1064.184       173.0347 740.7329       260.1938 1320.660       231.6943 164.9074 34.12825 229.3165 21.37987 -64.40909      40.27203 
1 1 1 9   -1  26 o 316.4184 16.58626 2465.610       250.0342 2625.457       361.3621 2318.793       346.3207 321.7611 23.65633 301.9001 24.19666 19.86102       33.83933 
1 1 1 9   -1  27 o 173.8055 23.33755 773.9202       189.0259 567.5311       398.0681 834.0082       214.7869 137.8766 48.58139 179.2507 25.80595 -41.37411      55.00999 
1 1 1 9   -1  28 o 253.4730 19.01273 1604.533       228.7221 1529.120       421.5638 1635.994       272.2819 232.2323 39.37438 253.6989 22.68796 -21.46661      45.44321 
1 1 1 9   -1  29 o 63.55510 28.90966 -73.39520      192.3621 31.36476       242.9861 -249.2850      314.8503 79.07208 34.40261 72.29961 34.23299 6.772469       48.53284 
1 1 1 9   -1  30 f 98.74512 34.93463 264.7354       206.0035 71.29662       265.1547 559.2875       327.1966 83.91521 36.22467 132.9216 44.11971 -49.00644      57.08569 
1 1 1 9   -1  31 o 186.7885 21.13889 901.4248       185.4594 1006.277       301.6927 837.7335       235.1343 186.1963 35.17995 174.3596 29.24163 11.83669       45.74606 
1 1 1 9   -1  32 o 51.08923 24.67123 -230.8793      181.8625 -258.1944      464.4795 -225.9336      197.6421 84.44408 40.42682 54.18084 26.05150 30.26324       48.09375 
1 1 1 9   -1  33 o 150.4204 32.98885 684.3514       230.6921 649.1332       303.9122 732.2331       354.3639 135.8060 42.28938 139.5582 45.89810 -3.752243      62.41016 
1 1 1 9   -1  34 o 76.98795 29.42638 156.0593       150.9335 -49.05820      224.6087 324.9455       203.8085 66.08656 30.49585 100.2457 34.80111 -34.15913      46.27217 
1 1 1 9   -1  35 o 71.28207 30.76040 88.65099       191.0629 76.66325       228.5480 116.4727       348.1779 73.57663 32.63651 83.63856 38.36601 -10.06193      50.36956 
1 1 1 9   -1  36 o 63.67796 30.32321 -92.26408      254.0804 110.2678       366.5261 -279.6239      352.5303 80.14812 37.63632 65.44878 32.19218 14.69933       49.52605 
1 1 1 9   0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0   5  o 46.92712 15.92450 48.98500       42.60671 0.000000       0.000000 48.98500       42.60671 ?        ?        46.92712 15.92450 0.000000       15.92450 
1 1 1 9   0   6  o 475.3557 10.40921 5416.074       236.5619 0.000000       0.000000 5416.074       236.5619 ?        ?        475.3557 10.40921 0.000000       10.40921 
1 1 1 9   0   7  o 213.3830 10.98325 1094.590       111.6697 0.000000       0.000000 1094.590       111.6697 ?        ?        213.3830 10.98325 0.000000       10.98325 
1 1 1 9   0   8  o 446.9985 10.74622 4790.383       229.6520 0.000000       0.000000 4790.383       229.6520 ?        ?        446.9985 10.74622 0.000000       10.74622 
1 1 1 9   0   9  o 96.96822 20.57739 235.6940       92.43922 0.000000       0.000000 235.6940       92.43922 ?        ?        96.96822 20.57739 0.000000       20.57739 
1 1 1 9   0   10 o 273.1124 12.29512 1793.875       160.1281 0.000000       0.000000 1793.875       160.1281 ?        ?        273.1124 12.29512 0.000000       12.29512 
1 1 1 9   0   11 o 499.6604 11.58959 5990.379       276.8544 0.000000       0.000000 5990.379       276.8544 ?        ?        499.6604 11.58959 0.000000       11.58959 
1 1 1 9   0   12 o 810.3371 12.50911 15768.45       484.6190 0.000000       0.000000 15768.45       484.6190 ?        ?        810.3371 12.50911 0.000000       12.50911 
1 1 1 9   0   13 o 152.3940 17.32542 567.3045       123.9910 0.000000       0.000000 567.3045       123.9910 ?        ?        152.3940 17.32542 0.000000       17.32542 
1 1 1 9   0   14 o 288.8225 12.99422 2009.374       178.9682 2166.326       256.5133 1860.508       249.8181 298.8826 18.03543 276.6796 19.00130 22.20303       26.19782 
1 1 1 9   0   15 o 190.1428 12.92171 873.5622       116.7671 959.2452       173.5555 802.7031       157.8296 198.2248 18.52819 181.1944 18.47778 17.03044       26.16720 
1 1 1 9   0   16 o 200.1703 14.38455 970.8641       136.7410 1059.200       189.1867 874.2363       197.8672 208.0628 19.23674 188.0364 22.45338 20.02634       29.56698 
1 1 1 9   0   17 o 160.6701 16.90146 631.7556       127.8858 588.4568       255.3268 646.2557       147.7557 149.6883 36.09975 161.9202 19.47751 -12.23196      41.01909 
1 1 1 9   0   18 o 208.8274 16.79888 1063.837       166.3027 1174.167       246.3065 971.4005       225.4502 217.2408 24.12129 197.2684 24.42617 19.97237       34.32891 
1 1 1 9   0   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0   20 o 80.32983 28.17445 147.0457       133.7757 -67.10205      221.4621 270.0773       167.8615 71.12827 31.80124 102.5680 31.34058 -31.43971      44.64920 
1 1 1 9   0   21 o 154.0382 21.23154 594.5070       152.2031 646.1058       247.6421 563.1835       192.9475 155.6894 34.20660 147.3262 28.42356 8.363235       44.47460 
1 1 1 9   0   22 o 295.0561 18.17369 2138.284       255.1194 2267.103       409.4981 2056.567       326.1489 297.7858 29.13575 286.5026 24.03234 11.28317       37.76831 
1 1 1 9   0   23 o 149.4757 25.83196 574.6448       177.9272 760.3587       392.4082 526.5818       199.6277 162.0590 47.55348 141.1674 30.47278 20.89156       56.47941 
1 1 1 9   0   24 o 214.8709 19.97623 1148.440       202.8602 1425.648       406.8329 1056.709       234.0298 228.6189 38.59423 204.0700 24.47515 24.54890       45.70063 
1 1 1 9   0   25 o 149.5325 26.42727 580.8160       182.0197 475.9721       407.2398 606.9897       203.4753 132.1602 48.79042 151.7424 29.10617 -19.58214      56.81262 
1 1 1 9   0   26 o 203.7018 21.13654 1043.774       202.8550 1858.475       423.2048 800.7548       231.1384 262.7862 34.51911 174.5220 28.69883 88.26421       44.89089 
1 1 1 9   0   27 o 63.18600 30.03625 -251.2415      247.0995 -182.1366      415.0391 -289.1862      307.5459 88.59556 41.08280 70.64922 33.56253 17.94633       53.04941 
1 1 1 9   0   28 o 116.9990 31.78875 374.4586       182.4023 384.0527       438.2886 372.4489       200.5992 123.1388 49.22466 116.1886 33.97416 6.950172       59.81062 
1 1 1 9   0   29 o 266.0538 17.23361 1755.600       218.0274 2433.493       348.0022 1317.590       279.7332 308.5793 23.77197 224.7859 26.54073 83.79340       35.63028 
1 1 1 9   0   30 o 196.2722 21.22372 985.5009       195.9897 809.3361       316.9788 1094.531       249.3704 163.9936 40.63767 203.5998 26.22743 -39.60617      48.36629 
1 1 1 9   0   31 o 186.3362 22.27085 900.6920       194.4763 959.6561       317.8314 865.4035       245.8778 179.8175 38.15344 177.1750 30.10343 2.642548       48.59940 
1 1 1 9   0   32 o 160.7527 32.95074 742.4096       244.7258 673.0514       323.3818 835.3694       374.3814 143.5587 43.42595 157.0269 46.54628 -13.46820      63.65822 
1 1 1 9   0   33 o 56.59426 26.48716 -118.1352      178.9754 33.82091       311.3019 -193.1619      218.7413 83.07027 37.37703 59.00609 28.10889 24.06419       46.76699 
1 1 1 9   0   34 o 71.78023 31.86218 35.25274       218.2152 45.75089       304.5356 24.17438       312.8378 80.61564 36.55357 80.05897 36.58959 0.5566711      51.72004 
1 1 1 9   0   35 o 93.23820 28.39357 261.5025       137.9306 296.6777       196.9101 227.6167       193.2676 95.98135 34.13535 87.22181 33.30812 8.759537       47.69332 
1 1 1 9   0   36 o 103.3686 28.32182 333.4077       144.0812 198.3325       207.0151 460.3130       200.6570 81.72311 33.40807 115.6515 34.02338 -33.92839      47.68322 
1 1 1 9   0   37 o 131.3359 30.62671 571.0500       188.7538 516.9861       228.2308 688.0630       335.7669 115.1293 36.75446 117.2742 44.10332 -2.144859      57.41074 
1 1 1 9   1   0  o 229.8672 7.027943 1265.735       77.14417 0.000000       0.000000 1265.735       77.14417 ?        ?        229.8672 7.027943 0.000000       7.027943 
1 1 1 9   1   1  o 287.9846 6.960059 1984.771       95.82760 0.000000       0.000000 1984.771       95.82760 ?        ?        287.9846 6.960059 0.000000       6.960059 
1 1 1 9   1   2  o 303.6440 6.883195 2206.423       99.92247 0.000000       0.000000 2206.423       99.92247 ?        ?        303.6440 6.883195 0.000000       6.883195 
1 1 1 9   1   3  o 618.7471 7.569377 9164.019       223.9142 0.000000       0.000000 9164.019       223.9142 ?        ?        618.7471 7.569377 0.000000       7.569377 
1 1 1 9   1   4  o 53.67230 10.31204 71.35627       25.49946 0.000000       0.000000 71.35627       25.49946 ?        ?        53.67230 10.31204 0.000000       10.31204 
1 1 1 9   1   5  o 488.8065 7.224410 5718.550       168.8293 0.000000       0.000000 5718.550       168.8293 ?        ?        488.8065 7.224410 0.000000       7.224410 
1 1 1 9   1   6  o 258.8427 7.252132 1604.841       89.65650 1439.445       120.1067 1812.987       134.7378 244.8694 10.28234 274.8617 10.27145 -29.99234      14.53372 
1 1 1 9   1   7  o 355.5798 7.346303 3026.324       124.8861 2709.987       169.1884 3405.024       185.1156 336.0884 10.54256 376.7985 10.28566 -40.71005      14.72889 
1 1 1 9   1   8  o 441.3741 7.712470 4663.607       162.7454 4548.170       224.0721 4792.494       236.7656 435.5786 10.76001 447.0874 11.07689 -11.50879      15.44265 
1 1 1 9   1   9  o 187.9517 9.890108 848.8219       88.55734 845.3088       115.9059 853.7490       137.2635 187.2058 13.03160 187.8090 15.42304 -0.6031952     20.19141 
1 1 1 9   1   10 o 186.5308 10.69127 836.8520       94.94356 685.1252       123.8096 1053.449       147.9276 168.0706 15.58582 208.8145 14.91590 -40.74391      21.57318 
1 1 1 9   1   11 o 207.3703 11.17800 1034.271       110.4106 980.0584       149.8300 1098.694       163.3304 201.2353 15.69762 213.0624 16.15476 -11.82713      22.52535 
1 1 1 9   1   12 o 127.9175 15.03310 398.8597       90.18346 416.0426       110.1087 363.8424       157.1864 130.1177 18.19705 119.7775 27.96045 10.34016       33.36045 
1 1 1 9   1   13 o 540.3337 11.54827 7005.686       298.3234 7142.661       706.6755 6975.981       329.0843 540.2017 27.45250 538.9593 12.77153 1.242432       30.27791 
1 1 1 9   1   14 o 237.0768 12.51593 1353.624       141.3577 1425.131       199.8123 1281.977       200.0078 242.4632 17.35196 229.7011 18.36562 12.76216       25.26631 
1 1 1 9   1   15 o 409.7805 15.92888 4053.441       311.4705 3970.358       440.0072 4136.888       440.9659 403.4658 22.90511 412.0178 22.47128 -8.552032      32.08742 
1 1 1 9   1   16 o 79.28607 22.85056 156.6282       91.34210 133.9132       131.6632 177.7052       126.8270 78.72341 27.92129 85.76151 27.40075 -7.038101      39.12032 
1 1 1 9   1   17 o 314.2282 13.29179 2381.636       199.2301 2382.158       304.6823 2381.246       263.3279 312.3444 20.51712 313.1347 17.66124 -0.7902527     27.07160 
1 1 1 9   1   18 f 155.2275 20.31671 596.2100       147.1600 728.4158       199.7247 439.1917       217.6615 170.4103 25.28000 129.7393 34.49818 40.67102       42.76918 
1 1 1 9   1   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   1   20 o 288.4347 17.98682 2032.898       246.7990 2042.172       323.8568 2020.052       381.1543 286.7702 23.83698 282.9358 28.56853 3.834381       37.20702 
1 1 1 9   1   21 o 240.5181 36.29132 1522.795       404.3347 1522.795       404.3347 0.000000       0.000000 240.5181 36.29132 ?        ?        0.000000       36.29132 
1 1 1 9   1   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   1   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   1   24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   1   25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   1   26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   1   27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   1   28 o 356.4954 18.26776 3151.380       310.3108 3359.373       497.1517 3018.626       397.1812 358.2698 29.28004 344.1865 24.29325 14.08331       38.04579 
1 1 1 9   1   29 o 323.3512 19.12619 2606.126       294.3521 2605.955       507.6189 2606.213       361.2966 309.1893 34.95248 319.8148 23.80025 -10.62552      42.28626 
1 1 1 9   1   30 o 140.2503 28.18252 529.0184       182.4059 484.6633       309.1569 552.7043       225.9188 127.7744 42.89626 140.1538 34.05569 -12.37947      54.77115 
1 1 1 9   1   31 o 105.3917 32.05048 311.8991       175.8290 573.9013       307.0943 184.1206       214.4609 135.6950 42.54871 89.57214 34.85251 46.12284       55.00082 
1 1 1 9   1   32 o 77.91000 31.23692 118.2821       177.0328 -470.2987      313.7131 393.2935       214.4396 62.69248 30.74164 115.3924 35.45382 -52.69994      46.92571 
1 1 1 9   1   33 o 147.8622 28.43183 608.1387       193.6897 650.3970       340.0366 587.8422       235.6573 138.4104 44.92557 140.0918 35.22613 -1.681381      57.08929 
1 1 1 9   1   34 o 160.3181 21.52852 683.1293       160.8412 246.2936       213.6474 1254.594       244.3617 92.68954 35.10879 215.2419 24.16316 -122.5523      42.62025 
1 1 1 9   1   35 o 64.29488 28.58229 13.91636       176.2635 -14.62462      318.8452 26.47751       211.5242 77.45067 35.94708 69.66623 31.11830 7.784439       47.54515 
1 1 1 9   1   36 o 78.85611 31.36394 169.7300       177.0448 68.42689       333.5012 209.4822       208.9135 80.72890 37.21941 84.48740 33.91285 -3.758499      50.35241 
1 1 1 9   1   37 o 61.65812 26.81914 52.68204       147.5876 154.5242       205.4631 -55.88440      212.1377 76.01595 32.32891 61.21050 28.70832 14.80545       43.23571 
1 1 1 9   2   0  o 561.3749 7.354525 7542.623       197.3858 7278.482       277.6552 7812.512       280.6605 551.0984 10.53824 570.9929 10.28116 -19.89447      14.72266 
1 1 1 9   2   1  o 415.9973 7.111301 4141.529       141.4321 0.000000       0.000000 4141.529       141.4321 ?        ?        415.9973 7.111301 0.000000       7.111301 
1 1 1 9   2   2  o 800.4180 8.317789 15339.00       318.2974 0.000000       0.000000 15339.00       318.2974 ?        ?        800.4180 8.317789 0.000000       8.317789 
1 1 1 9   2   3  o 467.7612 7.249883 5236.575       162.1301 0.000000       0.000000 5236.575       162.1301 ?        ?        467.7612 7.249883 0.000000       7.249883 
1 1 1 9   2   4  o 115.9739 7.279978 323.1659       40.16080 0.000000       0.000000 323.1659       40.16080 ?        ?        115.9739 7.279978 0.000000       7.279978 
1 1 1 9   2   5  o 272.9818 8.256782 1785.745       107.6349 0.000000       0.000000 1785.745       107.6349 ?        ?        272.9818 8.256782 0.000000       8.256782 
1 1 1 9   2   6  o 534.6821 7.502453 6842.789       191.7818 6782.952       267.4554 6906.118       275.1490 532.0065 10.51541 536.7879 10.72153 -4.781372      15.01749 
1 1 1 9   2   7  o 236.1219 8.971293 1337.164       101.0902 1365.850       172.2195 1322.085       124.8647 237.9176 15.22057 234.5718 11.16617 3.345810       18.87721 
1 1 1 9   2   8  o 209.9287 8.399307 1056.899       84.12904 1075.066       102.4656 1019.318       147.3723 211.5706 10.15981 205.4001 15.11327 6.170456       18.21078 
1 1 1 9   2   9  o 55.19160 15.03490 75.57103       40.73965 65.54565       49.41660 96.84128       71.97951 52.98462 17.12071 64.17576 20.65628 -11.19114      26.82910 
1 1 1 9   2   10 o 109.8443 10.14922 291.5991       52.69651 353.3679       73.47465 226.1708       75.61990 120.6535 12.93956 95.49763 17.19514 25.15584       21.51987 
1 1 1 9   2   11 o 824.5335 28.07464 16591.13       1105.088 16352.03       1561.915 16830.78       1563.748 809.7021 40.47650 821.9658 39.91212 -12.26361      56.84474 
1 1 1 9   2   12 o 306.2397 9.565286 2249.305       139.8733 2225.019       164.5248 2312.626       265.6587 304.3765 11.32583 309.2247 18.04818 -4.848236      21.30754 
1 1 1 9   2   13 o 227.1049 10.78940 1239.547       116.8123 1397.663       177.9726 1119.879       154.8297 240.5252 15.56041 215.2572 15.14146 25.26802       21.71152 
1 1 1 9   2   14 o 436.0077 10.22891 4557.808       213.2219 4767.037       242.6495 3848.739       446.6967 445.5992 11.39944 397.4502 23.61478 48.14899       26.22222 
1 1 1 9   2   15 o 325.9619 13.42043 2557.978       208.6950 2487.363       293.2375 2630.456       297.0785 320.2258 19.24257 329.4115 18.94347 -9.185760      27.00244 
1 1 1 9   2   16 o 372.0350 10.70820 3323.909       190.2640 3375.895       223.1511 3185.491       364.1245 374.6285 12.47659 361.7855 21.14402 12.84305       24.55066 
1 1 1 9   2   17 o 119.6751 15.60608 351.1400       87.16566 481.3008       142.1849 272.7687       110.3295 139.0085 22.13625 103.8616 22.84174 35.14689       31.80815 
1 1 1 9   2   18 o 366.2142 13.39989 3234.316       234.2136 3511.199       302.0509 2816.801       370.9098 380.6955 16.63581 338.7821 23.03725 41.91333       28.41593 
1 1 1 9   2   19 o 248.0614 14.44712 1490.271       170.5946 1569.387       237.8931 1406.516       244.7681 253.1676 19.81235 239.0307 21.65333 14.13689       29.34955 
1 1 1 9   2   20 f 99.87567 24.70644 255.5145       117.3136 372.7183       166.0847 138.8121       165.7290 119.9143 29.23792 83.19447 31.04711 36.71982       42.64714 
1 1 1 9   2   21 f 66.30917 26.65991 57.02011       129.3334 157.8279       271.3841 27.39680       147.1141 97.39018 38.79986 66.05135 27.68329 31.33883       47.66333 
1 1 1 9   2   22 o 59.75618 25.94542 -11.15245      137.6159 -26.75172      165.6861 23.54685       247.1123 64.02814 28.11925 82.05676 35.19044 -18.02862      45.04508 
1 1 1 9   2   23 o 216.3233 15.45773 1143.209       158.8129 1278.806       235.4466 1030.015       215.1183 226.4430 22.02630 202.8084 22.56801 23.63455       31.53526 
1 1 1 9   2   24 o 138.0133 30.57427 503.7902       196.4207 530.1023       301.3489 484.3541       258.9980 138.2306 41.94288 133.0314 38.51939 5.199249       56.94689 
1 1 1 9   2   25 o 138.2101 31.36509 509.5674       202.4847 545.3067       231.0770 391.3633       420.2422 141.8295 34.42951 126.5483 48.91178 15.28120       59.81432 
1 1 1 9   2   26 o 384.4345 17.61089 3634.279       322.8174 3579.207       449.8269 3692.761       463.5476 376.1102 25.16096 381.7284 25.54694 -5.618195      35.85694 
1 1 1 9   2   27 o 158.7100 25.07009 650.4328       183.9160 643.6394       248.3520 658.6826       273.6822 153.0594 34.73738 153.3187 37.62343 -0.2593536     51.20750 
1 1 1 9   2   28 o 149.8190 31.38924 607.5914       217.6214 671.8900       251.1636 413.9312       435.8891 155.9297 34.59632 125.6902 49.45704 30.23946       60.35648 
1 1 1 9   2   29 o 216.7576 20.63529 1183.196       211.2652 1570.077       292.9458 763.9183       304.9648 247.0536 25.15244 162.9118 39.55625 84.14185       46.87582 
1 1 1 9   2   30 o 146.7672 28.61075 577.1423       193.5392 596.6341       269.7823 556.4738       277.8055 143.6731 38.49945 138.0604 39.86883 5.612671       55.42320 
1 1 1 9   2   31 o 152.7263 33.81598 659.9003       240.3900 567.9062       280.1201 916.9659       468.2592 137.3806 40.14072 162.8306 52.70943 -25.44997      66.25377 
1 1 1 9   2   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2   34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2   35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2   36 o 67.94727 32.64802 -188.2100      309.1660 -461.6756      492.7553 -10.66570      397.0392 74.64683 36.96464 81.88625 38.67326 -7.239418      53.49771 
1 1 1 9   2   37 o 64.57366 29.87128 -21.28347      217.4478 -200.2142      520.3674 16.57128       239.3468 78.65238 38.76876 69.06448 31.72829 9.587898       50.09692 
1 1 1 9   2   38 f 75.88084 36.44007 36.59598       383.9557 280.6775       903.4240 -17.21011      424.1699 87.95055 44.44853 75.69099 36.81504 12.25956       57.71498 
1 1 1 9   3   0  o 506.5816 7.170803 6141.563       173.6703 5677.652       244.1329 6616.850       247.1079 486.7529 10.49082 525.5508 9.834755 -38.79794      14.37984 
1 1 1 9   3   1  o 352.6695 7.000255 2976.424       118.0294 0.000000       0.000000 2976.424       118.0294 ?        ?        352.6695 7.000255 0.000000       7.000255 
1 1 1 9   3   2  o 307.5795 6.990693 2263.990       102.7983 0.000000       0.000000 2263.990       102.7983 ?        ?        307.5795 6.990693 0.000000       6.990693 
1 1 1 9   3   3  o 108.9330 7.474467 285.3512       38.69082 0.000000       0.000000 285.3512       38.69082 ?        ?        108.9330 7.474467 0.000000       7.474467 
1 1 1 9   3   4  o 516.4067 7.308671 6382.495       180.4424 0.000000       0.000000 6382.495       180.4424 ?        ?        516.4067 7.308671 0.000000       7.308671 
1 1 1 9   3   5  o 539.9089 7.394647 6976.865       190.8738 0.000000       0.000000 6976.865       190.8738 ?        ?        539.9089 7.394647 0.000000       7.394647 
1 1 1 9   3   6  o 675.8156 10.34962 10944.40       334.3959 11038.10       353.6341 10152.85       1027.849 678.6122 10.89994 642.7155 33.56681 35.89679       35.29221 
1 1 1 9   3   7  o 232.8371 7.467372 1298.914       83.01689 1281.991       111.8218 1319.695       123.9145 231.0885 10.14611 234.3729 11.09021 -3.284363      15.03118 
1 1 1 9   3   8  o 463.1345 9.781108 5138.655       216.5726 4991.064       512.6456 5170.719       238.9421 453.4077 23.73201 464.4697 10.76036 -11.06201      26.05751 
1 1 1 9   3   9  o 394.3207 9.282840 3724.354       175.0003 3738.318       195.2735 3667.387       394.4207 394.8279 10.35385 389.0702 21.28535 5.757690       23.66999 
1 1 1 9   3   10 o 107.5181 10.28397 279.5466       52.21938 350.8877       69.27082 185.6389       79.47506 120.3313 12.20987 86.03466 19.74144 34.29667       23.21218 
1 1 1 9   3   11 o 364.8429 7.894745 3186.774       137.7058 3161.246       187.1635 3216.902       203.3304 362.9793 10.79727 366.0546 11.63322 -3.075287      15.87176 
1 1 1 9   3   12 o 215.2428 10.83041 1113.529       111.0923 1090.431       153.9024 1138.656       160.5232 212.4217 15.25597 217.0431 15.57327 -4.621414      21.80072 
1 1 1 9   3   13 o 484.6541 10.13928 5629.931       234.9347 5690.224       258.4753 5343.420       563.4486 487.1136 11.09891 468.2717 25.26148 18.84189       27.59218 
1 1 1 9   3   14 o 137.8064 11.75373 458.9416       76.69943 501.1319       109.2540 417.9419       107.7014 143.3815 16.22272 130.5084 17.71856 12.87314       24.02340 
1 1 1 9   3   15 o 179.8883 12.55414 780.7883       107.2911 938.9439       149.2944 611.8624       154.2941 196.8279 16.00327 157.6572 20.99160 39.17067       26.39606 
1 1 1 9   3   16 o 278.4962 12.66941 1867.072       168.2461 2237.375       237.8779 1496.407       237.9941 304.2326 16.41539 247.8277 20.26343 56.40497       26.07818 
1 1 1 9   3   17 o 308.4653 13.34859 2292.732       196.3907 2659.175       278.2722 1929.087       277.2077 331.3001 17.63221 281.2590 20.76169 50.04117       27.23863 
1 1 1 9   3   18 o 141.5166 20.26690 495.7723       133.2111 425.4253       157.4601 672.8770       249.8404 129.4563 26.33862 161.5678 33.44691 -32.11145      42.57251 
1 1 1 9   3   19 o 99.94758 26.93491 254.8175       131.5931 344.6519       153.5320 6.128278       255.4501 115.8505 28.02753 83.04601 35.69950 32.80445       45.38719 
1 1 1 9   3   20 o 198.5910 17.28649 963.5786       162.4912 981.2936       200.1822 929.3611       278.2140 199.3153 21.33933 190.3261 31.68914 8.989243       38.20430 
1 1 1 9   3   21 f 200.8065 18.19771 989.2755       172.8092 1577.573       280.1429 627.9136       219.5596 252.0372 23.52071 155.6966 30.58773 96.34058       38.58540 
1 1 1 9   3   22 o 141.8655 23.59330 509.7011       154.4018 471.8865       178.9719 619.7600       305.3289 134.7757 28.65859 150.5121 41.22495 -15.73642      50.20768 
1 1 1 9   3   23 o 215.1148 17.74618 1137.454       180.8867 1264.192       220.1755 874.2837       317.2747 225.8033 20.62272 179.6732 38.11768 46.13007       43.33883 
1 1 1 9   3   24 f 138.8011 24.41581 493.0292       156.1086 450.2443       181.3183 615.6027       306.8983 130.7114 29.69304 148.6285 41.57150 -17.91705      51.08685 
1 1 1 9   3   25 o 148.1211 23.99282 559.9806       164.0981 638.1166       291.6171 523.7739       198.5099 151.4769 39.76912 140.6831 30.40276 10.79376       50.05908 
1 1 1 9   3   26 o 86.69106 26.77687 192.0253       122.1247 242.5512       180.9089 149.7223       165.5343 97.80153 32.81385 83.40818 31.04808 14.39335       45.17447 
1 1 1 9   3   27 o 59.07849 24.83292 22.47740       118.9126 -12.33783      179.5508 49.67857       158.7072 67.19640 29.39782 69.74754 28.95526 -2.551147      41.26305 
1 1 1 9   3   28 o 220.7808 18.07436 1210.633       189.1115 1459.136       248.1468 866.3492       292.0798 240.5298 21.81604 177.0692 35.73584 63.46060       41.86872 
1 1 1 9   3   29 o 46.71950 21.83272 -103.9825      120.8463 77.39583       185.9084 -236.7015      159.0277 76.42803 31.49633 47.29069 22.89341 29.13734       38.93747 
1 1 1 9   3   30 o 101.5479 28.05729 276.8244       140.7329 133.4177       242.4785 349.6706       172.8192 88.65950 36.18966 113.0669 31.03359 -24.40738      47.67363 
1 1 1 9   3   31 o 60.83283 27.00790 -27.30798      156.8630 -440.2038      354.7574 73.03804       174.8885 70.20020 34.03355 73.78165 30.49118 -3.581444      45.69458 
1 1 1 9   3   32 o 174.2933 30.31655 837.5682       243.4525 1150.228       379.7443 619.3933       317.2180 193.5473 42.22903 139.9011 43.14571 53.64615       60.37254 
1 1 1 9   3   33 o 55.23327 25.67145 -104.2763      163.4952 -362.0602      380.0092 -45.71961      181.1150 73.97090 35.70658 62.72324 28.33957 11.24766       45.58608 
1 1 1 9   3   34 o 57.16769 26.54083 -99.37527      174.0049 1338.346       472.2670 -325.2068      187.1727 192.4529 50.64927 47.85123 23.52076 144.6017       55.84420 
1 1 1 9   3   35 o 88.83314 38.30847 170.7943       295.9462 24.08653       455.1348 278.2625       389.5413 90.24619 42.23742 99.89455 43.50919 -9.648361      60.63868 
1 1 1 9   3   36 o 84.03371 34.14812 192.1289       214.7384 11.91681       470.7455 239.4826       241.3077 87.14729 41.43538 89.63307 36.28099 -2.485779      55.07450 
1 1 1 9   3   37 o 53.79506 26.32977 -278.5946      226.8955 -552.7565      496.1124 -206.0820      255.1428 71.14201 35.53085 60.27374 29.13474 10.86827       45.94860 
1 1 1 9   3   38 o 81.58897 35.11112 217.3171       247.6082 -267.8965      532.9703 350.8689       279.6157 74.76257 37.25836 92.28178 38.38223 -17.51921      53.49187 
1 1 1 9   4   0  o 299.7827 6.894221 2150.563       98.80983 2115.206       138.5038 2187.208       141.0062 296.9902 9.767930 302.0070 9.778804 -5.016785      13.82163 
1 1 1 9   4   1  o 185.4289 6.769855 823.8661       59.91499 811.4561       84.83270 836.2177       84.63283 183.7966 9.688441 186.6030 9.518070 -2.806320      13.58159 
1 1 1 9   4   2  o 411.7827 7.127918 4058.009       140.3263 0.000000       0.000000 4058.009       140.3263 ?        ?        411.7827 7.127918 0.000000       7.127918 
1 1 1 9   4   3  o 414.8326 7.271061 4118.553       144.2046 0.000000       0.000000 4118.553       144.2046 ?        ?        414.8326 7.271061 0.000000       7.271061 
1 1 1 9   4   4  o 284.7528 7.099341 1940.491       96.64834 0.000000       0.000000 1940.491       96.64834 ?        ?        284.7528 7.099341 0.000000       7.099341 
1 1 1 9   4   5  o 153.8187 7.717472 567.7687       56.57219 0.000000       0.000000 567.7687       56.57219 ?        ?        153.8187 7.717472 0.000000       7.717472 
1 1 1 9   4   6  o 712.6967 24.32123 12318.90       827.4883 12110.09       1169.510 12528.22       1170.981 701.2664 34.99347 713.6326 34.42307 -12.36627      49.08657 
1 1 1 9   4   7  o 502.7151 9.830543 6054.432       236.2696 5844.879       592.8327 6094.002       257.6130 490.2836 25.37798 504.2551 10.68585 -13.97156      27.53596 
1 1 1 9   4   8  o 363.4883 7.513592 3162.406       130.5709 3126.207       178.3400 3204.230       191.6925 361.0476 10.34246 365.4536 10.98393 -4.406036      15.08685 
1 1 1 9   4   9  o 289.7566 8.878709 2012.511       122.8510 2028.899       143.6065 1967.788       237.2316 290.7929 10.34605 285.3880 17.47088 5.404877       20.30449 
1 1 1 9   4   10 o 488.0085 7.796663 5701.013       181.9050 5883.432       251.2804 5500.158       263.6716 495.4544 10.60832 478.9322 11.51545 16.52225       15.65701 
1 1 1 9   4   11 o 341.1646 7.934683 2786.523       129.4202 2772.839       174.5047 2803.250       192.9354 339.9430 10.75076 341.6693 11.82914 -1.726257      15.98460 
1 1 1 9   4   12 o 239.8119 9.428790 1379.873       107.8917 1389.261       131.9913 1360.969       187.2959 240.4085 11.51734 237.2302 16.61904 3.178268       20.21983 
1 1 1 9   4   13 f 155.4321 10.77169 581.9716       79.54958 618.5720       106.8926 536.5385       119.0941 159.8426 14.13319 148.3046 17.11016 11.53802       22.19244 
1 1 1 9   4   14 o 266.7508 12.01927 1710.912       152.8887 1669.034       212.0773 1756.227       220.6094 262.6945 16.97723 269.4528 17.21514 -6.758240      24.17824 
1 1 1 9   4   15 o 164.4624 11.13358 651.7558       87.02467 594.3343       116.9928 722.8824       130.2081 156.3412 15.87202 172.5602 15.96392 -16.21899      22.51150 
1 1 1 9   4   16 o 268.4775 10.66291 1731.618       136.5927 1719.277       170.8817 1753.457       227.3217 267.1306 13.42324 268.9931 17.77595 -1.862518      22.27482 
1 1 1 9   4   17 o 213.4853 15.26111 1103.300       154.7350 1135.730       188.5625 1036.437       270.7530 216.0046 18.43533 203.6806 28.59062 12.32402       34.01889 
1 1 1 9   4   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   4   19 o 121.5671 20.28227 368.5625       113.7296 539.3878       146.9497 113.4152       179.5925 147.3273 21.49606 82.19018 31.91786 65.13714       38.48156 
1 1 1 9   4   20 o 126.5651 23.25490 404.2404       135.5300 449.7161       153.2349 240.8548       290.4522 133.1987 24.98042 108.3049 40.95576 24.89375       47.97287 
1 1 1 9   4   21 o 378.2195 15.80577 3471.149       285.1739 3520.784       399.2345 3419.441       407.4857 378.2213 22.17601 372.3144 23.00490 5.906860       31.95310 
1 1 1 9   4   22 o 335.8965 13.95210 2733.413       223.5666 3025.607       299.1372 2363.690       336.4907 351.9633 17.83539 308.7864 22.95752 43.17697       29.07145 
1 1 1 9   4   23 o 58.96598 24.17898 34.58667       108.8531 185.0065       147.6737 -144.3882      161.0818 87.59253 29.64751 53.77765 25.15572 33.81488       38.88168 
1 1 1 9   4   24 o 147.5845 22.71352 551.2253       155.1317 409.5474       268.0010 622.6176       190.2440 123.6979 39.86200 155.5926 26.52534 -31.89472      47.88081 
1 1 1 9   4   25 o 171.3073 17.73395 725.5621       143.1432 720.4940       193.3245 731.7125       212.9683 168.1346 24.79356 168.3591 27.40016 -0.2244720     36.95253 
1 1 1 9   4   26 o 104.9769 30.07148 291.3506       158.6511 195.7777       282.2523 335.4929       191.8216 100.2095 39.68329 112.0297 33.34515 -11.82020      51.83302 
1 1 1 9   4   27 o 122.7976 23.59448 389.3475       133.4864 229.7904       180.7453 580.7982       197.9873 95.70434 32.79229 148.3255 28.95937 -52.62121      43.74905 
1 1 1 9   4   28 o 176.6775 18.23179 777.8958       151.7902 441.6098       210.7009 1140.727       218.8590 126.5613 34.07193 212.5448 21.84882 -85.98354      40.47551 
1 1 1 9   4   29 o 83.83830 30.50477 163.8728       158.2918 177.5596       186.4218 128.5067       299.6682 88.21194 32.92662 94.29064 39.51405 -6.078705      51.43465 
1 1 1 9   4   30 o 131.1257 22.90084 444.9740       138.3432 339.3498       205.1338 533.0924       187.3651 111.0204 34.76988 141.0274 28.76503 -30.00699      45.12617 
1 1 1 9   4   31 o 85.58026 30.34876 180.7934       155.5468 332.3215       335.5043 139.3057       175.5541 112.8724 43.68229 81.72758 31.60652 31.14478       53.91766 
1 1 1 9   4   32 o 44.79076 21.83704 -245.9691      151.6932 -133.3286      348.3734 -272.3226      168.5066 80.83213 37.53648 47.05469 22.95719 33.77744       44.00023 
1 1 1 9   4   33 o 156.6614 32.84739 703.3810       238.1461 978.1026       381.3130 527.7000       304.9282 172.3844 45.57950 128.4086 42.59092 43.97580       62.38171 
1 1 1 9   4   34 o 90.19382 31.33702 223.3534       165.2701 -246.0502      376.5181 335.3778       183.9370 77.09761 36.76934 107.0143 32.82748 -29.91670      49.29126 
1 1 1 9   4   35 o 137.8349 29.07164 548.4790       185.5357 572.8099       399.1223 541.7719       209.5538 122.1867 47.54504 133.5677 33.00849 -11.38103      57.87997 
1 1 1 9   4   36 o 56.14200 26.28395 -95.65392      176.4772 -271.8573      401.8210 -53.54308      196.4366 73.82185 35.88908 61.90522 28.54950 11.91663       45.85957 
1 1 1 9   4   37 f 74.42432 34.00771 38.67279       270.0727 -713.3900      427.8473 536.8373       348.2155 63.70126 31.98399 111.8619 44.14624 -48.16068      54.51482 
1 1 1 9   4   38 o 77.66967 32.17083 180.0626       195.2931 53.27504       437.9219 211.5369       218.1909 80.04777 38.56253 81.26448 33.86106 -1.216713      51.31901 
1 1 1 9   5   0  o 288.4319 11.72537 1997.977       161.3512 1881.747       227.8005 2114.995       228.5714 279.1492 17.15189 296.1588 16.20493 -17.00958      23.59633 
1 1 1 9   5   1  o 186.6653 6.811517 834.8905       60.68579 781.0378       85.08095 890.6629       86.58414 180.2907 9.908864 192.6069 9.431499 -12.31624      13.67987 
1 1 1 9   5   2  o 306.5600 8.151641 2251.439       119.3667 0.000000       0.000000 2251.439       119.3667 ?        ?        306.5600 8.151641 0.000000       8.151641 
1 1 1 9   5   3  o 494.0064 17.64210 5881.833       415.9999 0.000000       0.000000 5881.833       415.9999 ?        ?        494.0064 17.64210 0.000000       17.64210 
1 1 1 9   5   4  o 250.3993 8.196600 1502.675       97.99178 0.000000       0.000000 1502.675       97.99178 ?        ?        250.3993 8.196600 0.000000       8.196600 
1 1 1 9   5   5  o 42.71177 10.70356 45.43621       21.81057 0.000000       0.000000 45.43621       21.81057 ?        ?        42.71177 10.70356 0.000000       10.70356 
1 1 1 9   5   6  o 783.2652 7.857864 14685.94       294.2535 14722.09       429.1240 14653.85       404.2626 783.6148 11.45438 781.9221 10.81413 1.692688       15.75273 
1 1 1 9   5   7  o 289.7252 12.12345 2016.696       167.5560 2067.962       235.8568 1964.459       238.0788 292.7007 16.92672 285.1526 17.54866 7.548096       24.38174 
1 1 1 9   5   8  o 483.8310 17.32830 5640.936       400.1807 5520.354       564.9235 5762.391       566.9641 476.6076 24.87863 487.1135 24.42332 -10.50586      34.86323 
1 1 1 9   5   9  o 321.3116 7.653146 2471.230       117.5641 2550.677       161.4910 2381.651       171.4797 326.0894 10.37184 314.9723 11.40643 11.11713       15.41693 
1 1 1 9   5   10 o 436.2810 15.75985 4582.156       328.1803 4281.737       462.0061 4888.129       466.2570 420.0135 23.09676 449.2192 21.77481 -29.20566      31.74276 
1 1 1 9   5   11 o 366.0888 14.01456 3223.338       244.8338 3093.325       344.1249 3356.608       348.4096 357.4349 20.22020 372.5133 19.63251 -15.07837      28.18319 
1 1 1 9   5   12 o 97.17055 12.70638 230.4112       57.61615 245.9390       66.89799 185.8101       113.3785 100.1748 14.38011 86.76200 25.58842 13.41282       29.35225 
1 1 1 9   5   13 o 252.3266 9.680368 1527.801       116.5620 1522.126       142.3904 1539.328       202.9452 251.6150 11.87031 252.2948 16.92315 -0.6798553     20.67117 
1 1 1 9   5   14 o 225.4316 10.00665 1220.397       107.5792 1154.539       137.4050 1324.710       172.9282 218.8746 13.19226 234.1587 15.53495 -15.28407      20.38064 
1 1 1 9   5   15 o 177.6771 12.20614 761.2949       103.0556 759.2046       130.3451 764.7804       168.3128 176.9487 15.56625 176.7396 20.28669 0.2090302      25.57065 
1 1 1 9   5   16 o 375.9100 13.41046 3400.141       240.6244 3101.426       363.8680 3632.299       320.7790 357.1661 21.40735 387.7055 17.34991 -30.53940      27.55529 
1 1 1 9   5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   5   18 o 373.2633 15.60147 3365.807       277.7990 3411.980       387.1230 3316.788       398.8748 373.9860 21.74516 368.3619 22.76039 5.624084       31.47836 
1 1 1 9   5   19 o 247.3383 15.71669 1483.169       184.8880 1599.875       234.1374 1289.853       301.3414 256.0436 19.26845 226.9354 28.39437 29.10822       34.31491 
1 1 1 9   5   20 o 219.0734 14.59844 1163.657       152.0266 1363.257       203.5061 911.6074       228.6861 236.3302 18.15043 190.8007 25.72462 45.52950       31.48324 
1 1 1 9   5   21 o 374.0960 15.70729 3394.515       280.3015 3402.359       387.7433 3385.930       405.6768 372.0088 21.89818 370.5747 23.01146 1.434021       31.76566 
1 1 1 9   5   22 o 308.1507 15.30484 2306.982       224.7704 2596.630       305.9405 1967.284       331.3210 325.2597 19.76759 280.7366 24.94493 44.52307       31.82777 
1 1 1 9   5   23 o 211.9042 19.20558 1108.071       192.4590 1220.711       247.9672 937.4092       305.2230 220.6805 23.88308 187.9798 35.25717 32.70061       42.58485 
1 1 1 9   5   24 o 147.3771 17.89347 538.4535       123.4962 476.8189       166.0453 614.7547       184.7481 135.7557 26.53505 154.8589 25.86538 -19.10316      37.05572 
1 1 1 9   5   25 o 187.0566 18.13689 864.9327       160.1645 912.3422       259.7420 835.8467       203.4471 187.1088 30.05355 181.6512 24.01404 5.457611       38.46934 
1 1 1 9   5   26 o 50.33289 22.42169 -34.54996      109.0418 -33.34056      149.9815 -35.90601      158.8141 59.84180 26.49665 61.41562 27.22589 -1.573826      37.99107 
1 1 1 9   5   27 o 89.13795 29.70121 199.1110       148.2515 595.7647       278.2842 41.92925       175.1797 145.6142 39.13750 71.75186 30.14927 73.86235       49.40366 
1 1 1 9   5   28 o 90.34055 27.43321 212.7171       128.8813 189.4465       172.6736 241.9873       193.6575 89.03461 31.93183 97.70924 33.92321 -8.674622      46.58783 
1 1 1 9   5   29 o 94.11158 27.89779 234.4164       134.4861 55.80536       183.6132 441.1349       197.5329 73.89370 30.94585 126.6277 32.47557 -52.73401      44.85876 
1 1 1 9   5   30 o 97.02185 28.20800 251.3603       138.6358 183.0995       192.4067 325.0642       199.9308 89.24245 33.42264 108.9175 34.35604 -19.67502      47.93130 
1 1 1 9   5   31 o 144.2860 35.05790 588.5842       239.4211 524.3979       338.2065 653.0646       338.9801 131.9765 44.86501 146.0682 44.51800 -14.09174      63.20381 
1 1 1 9   5   32 o 64.11034 30.05838 -163.6416      232.2295 -356.1380      339.5866 5.468781       318.2910 70.54510 33.97795 85.21770 38.11092 -14.67260      51.05823 
1 1 1 9   5   33 o 84.43478 29.01225 187.4632       141.5043 69.72231       210.3079 284.8600       191.2778 76.83161 32.69297 100.3865 33.74168 -23.55492      46.98225 
1 1 1 9   5   34 o 87.42720 29.18957 208.7836       143.1751 -3.007204      219.6344 365.2906       188.8051 71.41799 31.81756 111.4561 33.05902 -40.03810      45.88307 
1 1 1 9   5   35 o 71.45477 28.19992 109.9012       142.0893 97.96117       219.8013 118.4728       186.2339 78.25532 33.36479 76.97621 31.60200 1.279106       45.95536 
1 1 1 9   5   36 o 78.20879 31.81023 147.5891       186.5429 -56.03066      231.2877 526.5855       315.5442 66.42355 30.75510 117.2166 43.00327 -50.79301      52.86925 
1 1 1 9   5   37 o 59.36746 26.23660 16.44038       146.3748 144.6351       227.0609 -74.71629      191.4704 79.04607 33.81222 59.06387 27.56192 19.98220       43.62254 
1 1 1 9   5   38 o 81.30065 30.67409 212.3918       162.7125 459.0393       246.4465 21.79121       216.6439 106.8826 38.16943 66.35961 30.37393 40.52296       48.77992 
1 1 1 9   6   0  o 336.7564 8.699653 2717.167       139.9466 2721.960       158.5435 2700.253       297.8004 336.9434 9.852574 334.3081 18.70707 2.635315       21.14303 
1 1 1 9   6   1  o 423.7720 9.183307 4300.749       186.0543 4284.764       204.7012 4376.689       446.1733 422.8998 10.12452 425.0870 22.02934 -2.187195      24.24455 
1 1 1 9   6   2  o 428.4248 15.87826 4417.939       324.6637 0.000000       0.000000 4417.939       324.6637 ?        ?        428.4248 15.87826 0.000000       15.87826 
1 1 1 9   6   3  o 129.1125 7.762018 400.4558       47.69155 0.000000       0.000000 400.4558       47.69155 ?        ?        129.1125 7.762018 0.000000       7.762018 
1 1 1 9   6   4  o 240.7500 7.114578 1388.282       81.79884 0.000000       0.000000 1388.282       81.79884 ?        ?        240.7500 7.114578 0.000000       7.114578 
1 1 1 9   6   5  o 708.6795 7.950717 12022.38       269.3795 0.000000       0.000000 12022.38       269.3795 ?        ?        708.6795 7.950717 0.000000       7.950717 
1 1 1 9   6   6  o 481.0733 7.009476 5538.315       161.2149 5234.718       547.8571 5567.096       168.6835 464.1512 24.77857 482.2981 7.315580 -18.14694      25.83593 
1 1 1 9   6   7  o 583.3430 20.43022 8220.113       568.8981 8285.529       803.8801 8154.482       805.2084 582.6213 28.95070 577.8648 29.24068 4.756531       41.14803 
1 1 1 9   6   8  o 271.2053 8.848406 1763.200       114.5750 1765.609       135.5302 1757.167       214.4957 271.2378 10.47114 269.7662 16.71324 1.471527       19.72251 
1 1 1 9   6   9  o 493.7235 17.60755 5875.601       414.9495 5703.365       585.5240 6049.377       588.1390 484.2689 25.37863 498.9919 24.73053 -14.72302      35.43549 
1 1 1 9   6   10 o 300.4481 9.512914 2164.535       136.4720 2004.034       240.9331 2240.358       165.5995 287.9826 17.58316 305.4713 11.35893 -17.48871      20.93305 
1 1 1 9   6   11 o 215.8783 10.42882 1119.505       107.3163 1111.139       152.6568 1127.678       150.8950 214.5103 14.97950 216.1498 14.68925 -1.639542      20.97998 
1 1 1 9   6   12 o 341.6935 13.51176 2807.788       220.2926 2722.179       307.5468 2897.992       315.6946 335.3945 19.26092 346.1124 19.15307 -10.71796      27.16290 
1 1 1 9   6   13 o 392.6552 14.86119 3711.385       278.4767 3596.366       390.8661 3829.955       396.8532 385.0955 21.31318 397.5338 20.95482 -12.43832      29.88906 
1 1 1 9   6   14 o 292.2576 12.65865 2054.239       176.4535 2095.142       245.3185 2010.392       253.9935 294.3512 17.51151 288.1147 18.53787 6.236511       25.50109 
1 1 1 9   6   15 o 250.0305 14.10754 1507.388       167.9528 1322.860       214.0019 1803.329       271.0121 233.2486 19.36516 272.2153 20.98608 -38.96671      28.55565 
1 1 1 9   6   16 o 407.4859 17.69107 4013.490       343.8263 0.000000       0.000000 4013.490       343.8263 ?        ?        407.4859 17.69107 0.000000       17.69107 
1 1 1 9   6   17 o 75.28037 27.62929 112.8059       130.2765 344.4664       198.1715 -63.50531      172.8841 116.5177 33.68081 63.15934 28.17765 53.35840       43.91329 
1 1 1 9   6   18 o 337.6858 14.76323 2752.787       237.7672 2610.641       324.0284 2918.609       349.9759 327.2479 20.81879 345.9405 21.26336 -18.69257      29.75823 
1 1 1 9   6   19 o 111.3351 22.31419 312.6772       114.6336 294.8531       148.0730 339.3398       181.1018 107.3487 28.41228 114.9268 31.85648 -7.578194      42.68598 
1 1 1 9   6   20 o 90.97483 24.77564 210.2170       110.6467 311.4138       144.2215 65.43485       172.5060 110.0990 27.48594 75.27297 30.59970 34.82603       41.13172 
1 1 1 9   6   21 o 280.5438 14.49380 1907.117       193.7387 1941.793       267.7343 1869.001       280.7013 281.3828 20.03309 275.5123 21.48021 5.870544       29.37217 
1 1 1 9   6   22 o 141.6191 18.31148 496.5815       121.0812 410.6814       161.0023 608.4137       183.7042 126.0215 27.49740 154.6805 25.74593 -28.65900      37.66909 
1 1 1 9   6   23 o 169.4971 18.42982 709.9782       146.9438 854.9078       170.8512 298.0890       288.0245 185.8180 19.52314 112.2975 41.10369 73.52049       45.50458 
1 1 1 9   6   24 f 165.2969 19.67281 680.1122       152.4208 830.9495       237.7895 574.9163       198.5811 179.3017 28.70773 148.4138 29.02725 30.88788       40.82542 
1 1 1 9   6   25 o 143.8709 18.56447 515.5792       124.7186 714.9767       164.9543 249.4682       190.5616 168.9847 20.86012 99.68860 33.67889 69.29611       39.61581 
1 1 1 9   6   26 o 92.83748 25.50255 224.1783       116.6508 375.1564       150.9028 0.4027489E-03  183.8810 119.5678 27.03475 69.35286 30.05232 50.21490       40.42301 
1 1 1 9   6   27 o 61.61322 24.72467 52.72911       111.0139 100.6945       148.8986 -7.304211      166.5800 74.56066 29.03237 65.39001 28.46683 9.170647       40.66004 
1 1 1 9   6   28 o 105.7629 28.80273 298.8997       149.5402 636.0857       270.5146 150.5160       179.4523 150.2882 37.71439 84.46002 32.13353 65.82816       49.54734 
1 1 1 9   6   29 o 125.6983 22.91399 409.0845       132.6295 589.9929       186.8951 225.5534       188.2450 149.5356 27.14168 94.70603 33.40491 54.82961       43.04136 
1 1 1 9   6   30 o 98.25212 27.27545 257.9140       132.6514 330.6372       184.6450 180.3462       190.6960 109.7654 32.72620 88.71050 33.26331 21.05486       46.66317 
1 1 1 9   6   31 o 91.32869 32.05966 211.7949       173.2393 407.6190       309.8400 122.7338       208.9528 119.6381 42.78965 83.58295 33.78671 36.05518       54.52060 
1 1 1 9   6   32 o 96.16708 32.69603 250.3761       179.6214 10.55266       327.1731 353.8502       214.9055 86.50282 38.66565 111.0483 35.68724 -24.54551      52.61760 
1 1 1 9   6   33 o 92.81821 29.57750 237.4012       147.8547 329.3714       199.9262 126.3785       219.6605 106.6644 34.43407 83.15746 34.24951 23.50693       48.56680 
1 1 1 9   6   34 o 56.80320 25.10446 -12.08444      134.0290 -69.40005      195.6019 38.64417       184.0192 63.06496 28.86414 69.95406 30.18770 -6.889095      41.76644 
1 1 1 9   6   35 o 146.0715 27.81343 602.2910       187.1432 730.7011       227.1665 331.0782       330.1411 158.2942 31.12708 104.1219 42.33001 54.17227       52.54260 
1 1 1 9   6   36 o 94.32775 35.35723 280.2470       215.4207 280.2470       215.4207 0.000000       0.000000 94.32775 35.35723 ?        ?        0.000000       35.35723 
1 1 1 9   6   37 f 93.42360 29.69363 272.1765       149.0972 262.7432       220.7281 280.0925       202.1987 90.25397 35.28898 92.42403 34.33182 -2.170059      49.23399 
1 1 1 9   6   38 f 79.10101 29.91685 195.3791       154.9941 556.1538       234.0669 -86.34334      206.8391 121.2968 36.99779 58.85089 27.82986 62.44596       46.29619 
1 1 1 9   6   39 o 125.1038 29.00179 516.6365       170.0754 1166.020       255.5066 0.6573952E-06  227.8998 189.5056 29.13276 64.05035 29.94818 125.4553       41.78051 
1 1 1 9   7   0  o 605.5972 10.13556 8786.610       293.4540 8742.548       850.8197 8792.560       312.6386 598.2543 29.84122 605.7108 10.79615 -7.456482      31.73413 
1 1 1 9   7   1  o 570.0384 19.96176 7844.530       543.1758 7972.730       768.0487 7716.252       768.2844 571.9204 28.17629 562.4343 28.66663 9.486084       40.19551 
1 1 1 9   7   2  o 397.4452 6.694117 3779.705       127.1976 3809.043       189.3746 3755.590       171.6918 398.7503 9.933727 396.0136 9.068409 2.736755       13.45046 
1 1 1 9   7   3  o 823.0307 28.02030 16488.63       1100.939 0.000000       0.000000 16488.63       1100.939 ?        ?        823.0307 28.02030 0.000000       28.02030 
1 1 1 9   7   4  o 506.2227 9.857929 6138.862       238.5809 0.000000       0.000000 6138.862       238.5809 ?        ?        506.2227 9.857929 0.000000       9.857929 
1 1 1 9   7   5  o 157.0058 7.866662 591.5433       58.86116 0.000000       0.000000 591.5433       58.86116 ?        ?        157.0058 7.866662 0.000000       7.866662 
1 1 1 9   7   6  o 234.6086 10.85845 1321.979       121.4621 0.000000       0.000000 1321.979       121.4621 ?        ?        234.6086 10.85845 0.000000       10.85845 
1 1 1 9   7   7  o 540.8346 9.106213 7005.102       235.4565 7053.990       684.6311 6998.544       250.7524 538.3109 26.68523 540.5134 9.703542 -2.202454      28.39473 
1 1 1 9   7   8  o 237.1232 7.898613 1347.472       89.41838 1352.065       121.0930 1341.964       132.6027 237.2789 10.70215 236.2745 11.77600 1.004410       15.91258 
1 1 1 9   7   9  o 212.1594 8.956400 1079.877       90.64127 1105.409       112.8534 1033.468       152.1491 214.4582 11.04406 206.7832 15.50311 7.674973       19.03465 
1 1 1 9   7   10 o 22.35690 10.83545 -60.48422      35.88781 -54.56377      55.58922 -64.71519      46.99295 31.68778 14.80800 27.00837 12.91075 4.679411       19.64598 
1 1 1 9   7   11 o 96.76438 12.35721 228.2587       55.86415 296.8065       80.06520 163.2290       77.98359 110.0216 15.66340 80.67587 20.25175 29.34577       25.60226 
1 1 1 9   7   12 o 913.4576 12.42297 20022.49       542.5283 19641.17       1856.547 20058.09       567.2906 884.4377 44.04524 914.1089 12.98073 -29.67120      45.91822 
1 1 1 9   7   13 o 323.4095 13.07496 2515.289       201.7462 2384.516       279.9528 2656.579       290.9917 313.8770 18.74127 331.4218 18.43769 -17.54483      26.29037 
1 1 1 9   7   14 o 222.2269 14.57067 1192.271       153.9510 1432.577       200.5193 847.2388       240.2720 243.2159 17.35883 184.3352 28.15544 58.88063       33.07655 
1 1 1 9   7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   7   16 o 393.6005 15.94671 3737.980       299.4575 3960.167       418.1286 3504.004       429.0771 403.5609 21.75206 378.8948 23.80725 24.66614       32.24805 
1 1 1 9   7   17 o 515.2080 12.35352 6377.678       304.2859 6509.305       345.0231 5916.928       645.5179 519.9657 13.89167 490.5523 27.63595 29.41342       30.93096 
1 1 1 9   7   18 f 207.4917 14.13721 1041.643       139.4026 1002.346       179.2294 1101.821       221.7930 202.6024 18.71503 211.6144 22.25546 -9.011948      29.07848 
1 1 1 9   7   19 o 285.7296 15.68233 1977.878       213.4056 2441.905       280.5575 1340.786       328.7390 316.7507 18.60858 230.5006 30.58532 86.25014       35.80141 
1 1 1 9   7   20 o 242.6149 14.69968 1426.718       169.7037 1577.173       231.5755 1252.196       249.4101 253.9294 19.21797 224.7644 23.55986 29.16504       30.40391 
1 1 1 9   7   21 o 160.3271 19.96023 636.6273       149.6924 641.7952       229.7362 632.8144       197.3331 157.1924 31.66552 157.6131 27.16862 -0.4207001     41.72336 
1 1 1 9   7   22 o 88.56767 28.49768 193.9850       137.0089 361.7709       232.9585 105.2601       169.4040 117.8503 37.07349 79.00949 30.90854 38.84076       48.26781 
1 1 1 9   7   23 o 122.2364 24.42738 383.4346       137.7572 399.3932       158.6814 334.6100       277.5545 123.8977 27.50614 115.6008 40.57982 8.296890       49.02356 
1 1 1 9   7   24 o 122.0965 21.61937 378.4183       121.5807 420.5599       164.2374 327.3250       180.8417 126.8487 27.84678 111.3004 32.17499 15.54833       42.55201 
1 1 1 9   7   25 o 54.59263 23.47214 -0.5965958     110.4662 -168.0471      147.9731 210.2059       166.0266 49.12568 23.32108 92.43291 31.43425 -43.30724      39.14058 
1 1 1 9   7   26 o 105.6950 24.76299 291.1184       122.9280 258.5970       164.1393 332.6588       185.5083 99.63081 31.08716 111.5695 32.68449 -11.93871      45.10751 
1 1 1 9   7   27 f 322.8374 15.75931 2552.615       242.5020 2839.648       336.0039 2240.557       350.3448 337.5138 20.92598 297.1280 24.89144 40.38580       32.51892 
1 1 1 9   7   28 o 140.3634 24.18311 509.8249       156.4269 451.8714       178.9714 697.3677       321.9541 129.7563 29.51788 154.6592 42.32096 -24.90292      51.59815 
1 1 1 9   7   29 o 70.98439 26.53260 106.0173       121.1328 70.63599       163.5942 148.9584       180.2263 72.42008 29.66258 83.93765 32.13729 -11.51757      43.73413 
1 1 1 9   7   30 o 211.7939 16.35574 1110.298       164.3299 1481.739       229.0357 716.2184       235.9119 242.9400 19.89357 162.2563 31.54807 80.68373       37.29658 
1 1 1 9   7   31 o 68.92436 26.91021 87.76461       128.2033 224.2368       177.4936 -61.09974      185.3770 93.26618 32.47098 63.42760 28.66318 29.83858       43.31215 
1 1 1 9   7   32 o 161.9326 24.43995 690.8875       183.3242 1005.129       318.4689 535.1549       224.1945 185.7624 37.15801 136.1639 34.42556 49.59845       50.65409 
1 1 1 9   7   33 o 60.34187 26.33140 2.959017       143.2455 -307.7075      193.2785 381.5617       213.3675 50.00345 24.43713 113.5922 35.44373 -63.58873      43.05149 
1 1 1 9   7   34 o 62.14898 27.34319 -0.3344041     157.3149 -178.3894      179.5387 588.2856       326.4363 53.42092 25.45318 132.0700 44.07467 -78.64905      50.89637 
1 1 1 9   7   35 o 123.9450 29.97092 449.1971       175.6289 549.5278       205.7859 180.1420       336.9917 135.5986 32.22156 92.98901 40.48529 42.60954       51.74252 
1 1 1 9   7   36 o 76.47600 28.61736 157.2447       140.9968 181.9422       198.0199 131.8467       200.8087 82.53139 33.05477 77.52622 32.40739 5.005165       46.29100 
1 1 1 9   7   37 o 50.89081 23.67219 -69.10926      139.4569 108.7622       196.9964 -247.7972      197.4480 73.58789 31.48628 50.95142 24.85664 22.63647       40.11531 
1 1 1 9   7   38 o 68.23312 29.74426 87.07017       182.3819 301.3633       344.0579 3.321565       215.0880 89.20490 39.77711 64.95553 29.92668 24.24937       49.77775 
1 1 1 9   7   39 o 49.84869 24.18648 -165.3816      180.1124 -695.4811      350.9454 24.17150       209.8584 53.90782 27.29632 63.81122 29.45716 -9.903404      40.15985 
1 1 1 9   8   0  o 128.2092 7.966670 394.9985       48.59071 450.3592       76.20319 357.0662       63.07787 136.5446 11.78854 121.5652 10.97119 14.97938       16.10394 
1 1 1 9   8   1  o 210.1168 8.105255 1058.458       81.26817 1019.504       140.4861 1078.049       99.63025 205.5504 14.38658 211.9078 9.861171 -6.357376      17.44180 
1 1 1 9   8   2  o 298.5879 6.490858 2133.175       92.65794 2344.683       140.7531 1971.415       123.0919 312.7387 9.424615 286.7813 8.988903 25.95740       13.02397 
1 1 1 9   8   3  o 199.4037 9.749430 954.7386       92.66212 0.000000       0.000000 954.7386       92.66212 ?        ?        199.4037 9.749430 0.000000       9.749430 
1 1 1 9   8   4  o 607.7925 10.01878 8850.208       291.1243 0.000000       0.000000 8850.208       291.1243 ?        ?        607.7925 10.01878 0.000000       10.01878 
1 1 1 9   8   5  o 218.0652 7.483770 1139.467       77.90603 0.000000       0.000000 1139.467       77.90603 ?        ?        218.0652 7.483770 0.000000       7.483770 
1 1 1 9   8   6  o 375.8016 14.38482 3396.543       257.9697 0.000000       0.000000 3396.543       257.9697 ?        ?        375.8016 14.38482 0.000000       14.38482 
1 1 1 9   8   7  o 368.1656 8.205449 3245.114       144.4289 3286.396       180.9735 3172.698       239.6882 370.2024 10.23492 363.2645 13.82639 6.937866       17.20240 
1 1 1 9   8   8  o 306.2704 9.038813 2248.449       132.2055 2291.806       154.0824 2127.456       257.3997 309.0706 10.44266 296.6414 18.23780 12.42923       21.01587 
1 1 1 9   8   9  o 180.6455 9.201619 783.6360       79.20757 777.4147       101.7310 793.2136       126.2226 179.6478 11.91195 181.1145 14.70361 -1.466705      18.92328 
1 1 1 9   8   10 o 320.3032 12.96040 2466.343       198.0570 2421.956       277.9233 2512.145       282.3181 316.4880 18.44787 322.3563 18.39505 -5.868286      26.05190 
1 1 1 9   8   11 o 192.4209 10.11633 889.7464       92.73747 686.7954       125.9055 1130.430       137.1109 168.2524 15.83850 216.5861 13.30560 -48.33368      20.68567 
1 1 1 9   8   12 o 151.4846 13.73559 555.6349       98.39719 594.9999       115.8362 453.6190       186.4761 156.5094 15.69234 133.7072 29.92017 22.80215       33.78559 
1 1 1 9   8   13 o 279.0235 12.16500 1871.864       161.8886 1845.027       212.4842 1908.997       249.9392 276.4033 16.14995 280.6845 18.73271 -4.281281      24.73328 
1 1 1 9   8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   8   15 o 421.7244 11.94014 4272.701       240.4968 4299.427       280.8925 4199.306       465.4799 422.6659 13.91962 415.1122 23.55116 7.553680       27.35714 
1 1 1 9   8   16 o 307.6666 13.93381 2281.368       204.4230 2138.478       280.4629 2443.318       298.5827 296.5875 19.89452 317.1339 19.79173 -20.54648      28.06251 
1 1 1 9   8   17 o 168.0571 15.44354 686.4449       122.6966 932.0536       161.3607 349.7819       188.9181 195.6562 17.43264 116.9858 32.57794 78.67033       36.94887 
1 1 1 9   8   18 o 366.5313 15.35487 3247.410       268.4742 3255.296       372.5145 3238.887       387.2754 365.0718 21.43740 363.8028 22.37441 1.268951       30.98671 
1 1 1 9   8   19 o 67.28983 29.13521 -12.34321      172.5522 -46.58522      221.1493 40.94405       275.8784 73.30037 32.32778 88.73566 37.58845 -15.43530      49.57799 
1 1 1 9   8   20 o 132.0918 17.88856 431.0776       110.0683 436.5183       136.3742 420.9101       186.4276 131.7776 22.45028 127.2532 30.94579 4.524368       38.23162 
1 1 1 9   8   21 f 240.5027 14.24251 1403.217       163.0293 1479.522       216.0186 1302.244       248.4939 245.7582 18.52178 228.9579 23.01313 16.80032       29.54083 
1 1 1 9   8   22 o 283.7653 14.55535 1955.589       196.8053 2187.419       266.8379 1679.048       291.4353 298.6294 18.78506 259.4618 23.75760 39.16766       30.28699 
1 1 1 9   8   23 o 81.55486 24.80712 167.5473       105.3273 148.1638       132.6286 200.6478       173.3159 80.16327 28.05803 91.90516 32.08083 -11.74189      42.61963 
1 1 1 9   8   24 o 233.8633 16.11096 1338.752       179.0317 1301.002       262.9887 1371.357       244.4091 227.0404 24.62214 234.3482 22.07463 -7.307800      33.06870 
1 1 1 9   8   25 o 280.6140 15.63152 1924.345       208.8811 1797.583       273.1760 2102.793       324.1187 268.6089 21.45036 289.4223 23.62962 -20.81339      31.91359 
1 1 1 9   8   26 o 178.4006 17.14947 786.6010       144.4702 897.3455       196.9728 657.6636       212.5371 188.6359 22.26987 158.1570 29.18340 30.47894       36.70992 
1 1 1 9   8   27 o 150.3457 23.70163 579.7525       164.7278 298.9456       282.2627 724.7888       202.8560 109.7549 40.60156 167.2723 26.22779 -57.51740      48.33615 
1 1 1 9   8   28 o 295.5971 15.59457 2145.857       219.6053 2289.421       304.3253 1989.876       317.2130 301.9937 21.21305 279.6222 23.95924 22.37155       32.00060 
1 1 1 9   8   29 o 255.5516 19.89417 1637.160       241.1460 1879.365       327.4077 1349.979       356.5121 269.8625 25.68628 221.8055 34.76082 48.05705       43.22152 
1 1 1 9   8   30 o 353.3514 16.81615 3086.391       283.2655 3773.820       409.4978 2455.638       392.2542 386.0961 22.27902 307.2123 26.98048 78.88373       34.99001 
1 1 1 9   8   31 o 141.7280 27.53141 538.4149       179.8240 613.4213       212.1149 346.7713       339.0542 149.6926 30.67087 113.9457 43.96228 35.74697       53.60396 
1 1 1 9   8   32 o 61.52320 29.15668 -200.3721      229.3818 -169.1957      323.6360 -231.8426      325.1591 76.08591 35.61227 73.43958 34.77753 2.646332       49.77660 
1 1 1 9   8   33 f 50.99395 23.96955 -124.0375      149.3042 -64.75818      166.7525 -363.6607      335.2627 58.69608 26.78316 68.74577 33.27035 -10.04969      42.71128 
1 1 1 9   8   34 o 192.3553 20.38601 958.6061       184.6252 1116.159       226.5253 646.8670       318.6396 205.1753 23.51772 138.7668 43.31595 66.40849       49.28849 
1 1 1 9   8   35 o 108.3995 30.94167 351.5131       168.2567 370.1044       196.2839 299.9983       326.7343 109.2437 33.98090 100.5532 41.62706 8.690521       53.73559 
1 1 1 9   8   36 o 85.06986 35.30950 193.3355       235.9435 206.9967       324.9321 178.0983       343.1630 89.81094 39.41228 88.74699 39.63884 1.063942       55.89781 
1 1 1 9   8   37 o 82.34155 31.80951 202.8335       177.6750 139.4277       332.8068 228.1091       210.1251 83.62709 38.03444 85.84634 34.16067 -2.219246      51.12309 
1 1 1 9   8   38 o 44.04845 21.41528 -174.0592      143.1076 -100.8919      194.7551 -259.9313      210.9874 56.14609 26.68287 51.10228 25.08934 5.043808       36.62582 
1 1 1 9   9   0  o 738.1689 10.68137 13059.48       376.9563 13138.27       396.5593 12321.14       1213.959 740.2951 11.20456 706.6335 36.05280 33.66156       37.75377 
1 1 1 9   9   1  o 175.7263 9.476313 741.8101       79.31858 835.8306       112.0349 647.3234       112.3124 186.2256 12.65887 163.5329 14.51594 22.69267       19.26031 
1 1 1 9   9   2  o 250.6427 6.589056 1504.235       78.88779 1393.820       179.5560 1530.647       87.81739 240.2923 15.71599 252.7891 7.273872 -12.49677      17.31766 
1 1 1 9   9   3  o 234.5763 7.480592 1318.372       83.78626 0.000000       0.000000 1318.372       83.78626 ?        ?        234.5763 7.480592 0.000000       7.480592 
1 1 1 9   9   4  o 546.6911 7.601917 7153.752       198.6888 0.000000       0.000000 7153.752       198.6888 ?        ?        546.6911 7.601917 0.000000       7.601917 
1 1 1 9   9   5  o 505.7188 7.662655 6121.826       185.2664 0.000000       0.000000 6121.826       185.2664 ?        ?        505.7188 7.662655 0.000000       7.662655 
1 1 1 9   9   6  o 247.9432 7.572913 1472.862       89.66319 0.000000       0.000000 1472.862       89.66319 ?        ?        247.9432 7.572913 0.000000       7.572913 
1 1 1 9   9   7  o 327.0468 7.374903 2560.068       115.3120 0.000000       0.000000 2560.068       115.3120 ?        ?        327.0468 7.374903 0.000000       7.374903 
1 1 1 9   9   8  o 187.5657 7.325043 843.3322       65.55957 890.5540       133.5872 828.3506       75.24396 191.9731 14.66616 185.7995 8.493150 6.173615       16.94786 
1 1 1 9   9   9  o 151.6644 12.50700 555.6417       89.88175 562.2273       117.2638 546.2617       139.9474 152.0034 16.39529 149.1292 20.14339 2.874146       25.97233 
1 1 1 9   9   10 o 299.6026 12.84364 2158.386       183.5406 2149.186       255.1371 2168.254       264.2332 298.1233 17.98430 299.3376 18.55487 -1.214386      25.84025 
1 1 1 9   9   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   9   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   9   13 o 504.7356 12.27344 6115.359       296.1684 6307.109       629.3149 6060.808       335.6640 508.2839 25.98345 501.9724 14.00042 6.311584       29.51527 
1 1 1 9   9   14 o 680.3690 23.77017 11261.77       772.0004 11513.17       1090.146 11008.85       1093.408 682.0969 33.53232 666.3375 34.43941 15.75940       48.06755 
1 1 1 9   9   15 o 398.9221 15.64878 3839.211       297.8747 3904.782       418.4349 3771.840       424.1399 400.5689 21.93324 393.4413 22.64432 7.127533       31.52510 
1 1 1 9   9   16 o 106.2728 22.86478 285.0378       112.7230 249.6427       192.0880 303.6290       139.2140 102.1258 33.80155 109.2265 26.85145 -7.100716      43.16880 
1 1 1 9   9   17 o 247.5845 13.70382 1480.401       161.5757 1773.992       219.7518 1134.897       238.3894 270.3672 17.08825 214.3603 23.65420 56.00694       29.18098 
1 1 1 9   9   18 o 117.3770 19.19391 342.8350       103.9905 344.3248       134.4413 340.6161       164.0759 116.3609 24.91784 115.0562 29.64465 1.304688       38.72601 
1 1 1 9   9   19 o 128.6215 18.37499 409.5567       109.7847 460.7855       143.8270 338.0397       169.9370 135.3761 23.04736 114.3596 30.51601 21.01651       38.24144 
1 1 1 9   9   20 o 270.3806 15.12587 1774.302       194.7465 1829.295       251.9823 1692.733       306.8907 273.2357 19.41614 260.7304 24.92271 12.50528       31.59316 
1 1 1 9   9   21 o 57.89937 25.35065 -21.99604      133.7518 20.17965       228.8821 -43.86730      164.8229 79.34997 33.94501 62.47386 27.71339 16.87611       43.82118 
1 1 1 9   9   22 o 118.4850 26.34248 363.6808       145.3573 334.5931       229.2245 383.2443       187.9874 113.6652 36.88538 120.3841 32.08321 -6.718910      48.88623 
1 1 1 9   9   23 o 114.4874 26.96811 342.0569       145.1626 740.7420       219.2019 30.64052       193.7314 169.3817 28.04969 74.21011 31.46991 95.17158       42.15614 
1 1 1 9   9   24 o 230.0611 14.84893 1291.765       162.4504 1368.319       214.9375 1189.772       248.0921 235.1830 19.28529 217.0350 24.32794 18.14796       31.04466 
1 1 1 9   9   25 o 121.7389 21.35943 377.0249       119.7846 535.2017       152.7634 124.5215       193.0107 145.0566 22.77759 83.58090 32.90335 61.47572       40.01812 
1 1 1 9   9   26 o 84.00530 28.11061 174.3261       132.7752 287.1154       147.1469 -319.9348      308.0316 104.1285 28.65807 69.99270 33.34641 34.13577       43.96894 
1 1 1 9   9   27 o 138.2667 20.36706 484.0006       130.6053 521.9372       169.4274 428.4445       205.0315 141.3825 26.02434 124.9915 33.59343 16.39105       42.49453 
1 1 1 9   9   28 o 150.1559 20.62121 571.9357       144.1294 537.1521       195.5735 613.2827       213.2284 141.2475 29.89489 150.7821 30.62559 -9.534592      42.79757 
1 1 1 9   9   29 o 75.13626 30.16650 92.95040       165.3470 -46.14450      304.3985 151.1695       196.9336 82.27927 36.99582 85.73712 33.38731 -3.457855      49.83375 
1 1 1 9   9   30 o 157.7903 21.08635 634.9390       155.0924 537.8501       209.8791 751.7317       230.1932 139.5710 32.12032 167.0574 29.92049 -27.48633      43.89705 
1 1 1 9   9   31 o 194.8333 21.90945 973.2528       200.5481 908.2149       238.0947 1132.079       372.0726 184.4453 27.86896 195.1479 41.17653 -10.70255      49.72107 
1 1 1 9   9   32 o 220.1078 25.33469 1282.698       261.7427 1027.200       357.8445 1576.667       383.8415 181.9171 41.99490 234.2896 35.36866 -52.37247      54.90459 
1 1 1 9   9   33 o 100.8151 31.73805 291.2094       170.7006 180.4666       197.2433 621.6235       340.7013 86.40681 33.47873 135.5698 45.02171 -49.16299      56.10508 
1 1 1 9   9   34 o 71.02651 29.40291 81.24506       163.0084 -10.71798      192.1546 317.3057       307.8619 66.49492 29.68343 104.1187 41.37597 -37.62375      50.92226 
1 1 1 9   9   35 o 57.08969 27.55583 -237.8718      226.2213 -726.5773      332.0921 185.2446       309.0045 56.13074 28.18227 90.21835 39.02586 -34.08761      48.13791 
1 1 1 9   9   36 o 133.8677 36.57289 610.6377       240.6600 766.0962       354.9501 478.3706       327.4054 134.9290 45.96061 109.6714 42.95004 25.25757       62.90535 
1 1 1 9   9   37 o 187.4905 23.53820 993.8679       206.3514 1203.914       252.5945 572.4413       357.7891 202.1151 26.80056 112.0418 44.57880 90.07327       52.01480 
1 1 1 9   9   38 o 60.71998 26.89745 42.35860       154.7214 137.1563       218.0984 -53.68474      219.5267 73.74921 32.32882 61.20810 28.86146 12.54111       43.33748 
1 1 1 9   10  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10  4  o 516.7820 18.38264 6443.092       453.4521 0.000000       0.000000 6443.092       453.4521 ?        ?        516.7820 18.38264 0.000000       18.38264 
1 1 1 9   10  5  o 494.7846 10.67282 5867.998       252.4666 0.000000       0.000000 5867.998       252.4666 ?        ?        494.7846 10.67282 0.000000       10.67282 
1 1 1 9   10  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10  9  o 241.8473 9.845883 1403.937       113.6045 1329.284       188.7023 1446.376       142.2771 234.3563 16.95661 245.2188 12.17399 -10.86247      20.87421 
1 1 1 9   10  10 o 175.7903 12.12386 745.0340       101.2689 751.0587       127.9722 734.9409       165.6392 176.0538 15.35771 173.2450 20.38824 2.808868       25.52527 
1 1 1 9   10  11 o 459.5313 8.985399 5058.969       197.4062 5309.159       269.2053 4767.952       290.3403 470.2048 11.98512 445.2735 13.65481 24.93134       18.16857 
1 1 1 9   10  12 o 463.3577 17.26342 5182.672       381.7610 5371.433       537.7592 4990.886       542.0494 469.6128 24.03179 452.2202 25.17083 17.39261       34.80083 
1 1 1 9   10  13 o 177.7347 12.20294 762.0178       103.0627 716.6196       134.8893 825.6919       159.7496 171.6481 16.64601 184.0336 18.40316 -12.38551      24.81464 
1 1 1 9   10  14 o 295.5240 13.01439 2103.039       183.4250 2393.882       271.3824 1858.429       248.8802 314.2914 18.13800 276.6126 18.93376 37.67886       26.21973 
1 1 1 9   10  15 o 69.22684 23.97276 106.0858       96.68292 53.75576       159.3111 136.5965       121.6455 72.03949 29.36097 77.99908 26.89565 -5.959595      39.81762 
1 1 1 9   10  16 o 375.2813 15.15893 3402.159       271.4183 3618.993       381.4824 3179.872       386.2490 385.3285 20.78478 360.5141 22.52225 24.81436       30.64733 
1 1 1 9   10  17 f 80.20447 22.26114 161.7708       88.37048 270.0081       118.8960 28.17286       132.0926 102.9583 24.50924 63.52647 26.39806 39.43182       36.02167 
1 1 1 9   10  18 o 167.3087 14.85123 681.2811       117.5597 822.1578       155.6597 494.2477       179.3561 183.2088 18.00368 138.9629 27.96586 44.24583       33.25991 
1 1 1 9   10  19 o 199.8143 18.08947 978.2706       170.9366 963.7087       219.8445 1000.533       271.8281 196.5571 23.88438 198.2207 29.58843 -1.663635      38.02550 
1 1 1 9   10  20 o 305.3210 14.50606 2260.752       211.1400 2480.891       290.5574 2014.444       307.3431 318.1986 19.18881 285.1869 22.72959 33.01172       29.74634 
1 1 1 9   10  21 f 356.5807 15.56616 3092.798       264.7281 3475.192       367.2640 2679.253       381.9306 375.6696 20.52661 327.6233 24.56261 48.04636       32.01037 
1 1 1 9   10  22 o 275.5321 15.61484 1851.744       204.8504 1963.341       263.9152 1682.606       324.9072 282.1044 19.69163 257.6732 26.76376 24.43124       33.22738 
1 1 1 9   10  23 f 81.96760 26.18062 167.2992       115.7904 223.5082       147.7747 77.90197       186.3630 93.65147 29.53628 77.76107 31.73226 15.89040       43.35122 
1 1 1 9   10  24 o 330.4037 15.65847 2665.983       246.6409 2622.055       334.3321 2718.434       365.3316 324.5509 21.67117 329.4475 23.34614 -4.896606      31.85407 
1 1 1 9   10  25 o 143.6826 18.72880 516.0489       125.5946 552.4291       156.6783 450.6447       210.0771 147.1914 23.01827 128.7840 33.72675 18.40733       40.83300 
1 1 1 9   10  26 o 281.6700 14.49672 1937.833       194.5608 1849.386       273.3014 2028.715       277.0377 271.8859 21.19282 285.2584 20.44951 -13.37253      29.45026 
1 1 1 9   10  27 o 159.3817 18.72054 636.2546       139.9314 743.8912       179.8205 471.0120       222.8027 170.8359 22.56816 130.1642 35.03451 40.67169       41.67419 
1 1 1 9   10  28 o 284.1066 15.51072 1985.368       209.8800 2291.890       286.2426 1628.971       308.6530 302.6225 19.89482 250.8531 26.11812 51.76947       32.83230 
1 1 1 9   10  29 o 118.6485 24.48310 370.4136       134.2706 424.9263       174.5658 291.4408       210.1111 125.0207 29.65644 104.1783 35.36307 20.84235       46.15247 
1 1 1 9   10  30 o 188.5656 18.64502 892.9495       165.8889 1073.144       213.0555 615.5115       264.3659 204.9702 22.09011 145.8227 37.65895 59.14749       43.65970 
1 1 1 9   10  31 o 75.12846 29.64880 109.2202       157.0605 92.32005       175.2230 178.2980       354.2548 75.40157 30.76930 99.74581 42.43678 -24.34424      52.41784 
1 1 1 9   10  32 o 64.89197 30.24014 -131.2242      229.2259 -532.8065      297.0302 460.1299       360.4434 58.49317 28.91722 120.4219 45.60470 -61.92874      53.99995 
1 1 1 9   10  33 o 153.4155 22.51190 622.0564       160.2069 854.1393       212.2615 314.8303       244.2185 177.7413 25.72624 103.5298 37.85632 74.21149       45.77052 
1 1 1 9   10  34 o 82.95001 29.47363 185.7064       146.7692 482.4119       191.3959 -237.8123      228.6684 127.8027 31.52367 58.21036 27.99742 69.59230       42.16156 
1 1 1 9   10  35 o 53.92638 25.17218 -90.03947      159.9037 -476.2788      329.1780 29.24969       182.9376 61.44667 30.38910 66.65816 29.40027 -5.211483      42.28325 
1 1 1 9   10  36 o 47.79265 22.55366 -99.89335      134.5437 -37.33952      192.2040 -159.9957      188.4002 61.61315 28.35163 53.74406 25.73417 7.869087       38.28919 
1 1 1 9   10  37 o 50.63552 23.60000 -64.61288      139.6931 -5.959646      200.3532 -120.1011      194.8726 63.47027 29.11044 55.86732 26.59034 7.602947       39.42669 
1 1 1 9   10  38 o 48.86195 23.16011 -87.25067      144.8454 -148.4280      210.5023 -32.23755      199.6157 54.89140 26.51604 59.69670 27.95004 -4.805302      38.52668 
1 1 1 9   11  0  o 582.8284 9.865993 8140.809       274.9096 8276.694       295.0314 7245.329       757.3730 587.5728 10.50263 543.7422 29.24213 43.83057       31.07101 
1 1 1 9   11  1  o 455.7826 9.287567 4976.926       202.3802 5100.994       222.9752 4396.849       482.1350 461.3338 10.10957 425.1333 23.81633 36.20053       25.87317 
1 1 1 9   11  2  f 638.2278 17.87658 9824.279       544.9298 10240.21       942.5905 9615.479       667.8453 646.1345 30.60043 629.8856 22.21192 16.24890       37.81211 
1 1 1 9   11  3  o 265.1199 11.36533 1688.806       143.7219 0.000000       0.000000 1688.806       143.7219 ?        ?        265.1199 11.36533 0.000000       11.36533 
1 1 1 9   11  4  f 673.9547 8.205251 10876.42       264.3814 0.000000       0.000000 10876.42       264.3814 ?        ?        673.9547 8.205251 0.000000       8.205251 
1 1 1 9   11  5  o 286.9305 12.00615 1978.730       164.3342 0.000000       0.000000 1978.730       164.3342 ?        ?        286.9305 12.00615 0.000000       12.00615 
1 1 1 9   11  6  o 295.3512 8.153863 2090.421       115.0257 0.000000       0.000000 2090.421       115.0257 ?        ?        295.3512 8.153863 0.000000       8.153863 
1 1 1 9   11  7  o 330.3052 12.63750 2622.772       199.1972 0.000000       0.000000 2622.772       199.1972 ?        ?        330.3052 12.63750 0.000000       12.63750 
1 1 1 9   11  8  o 477.5231 10.64180 5467.511       242.9505 0.000000       0.000000 5467.511       242.9505 ?        ?        477.5231 10.64180 0.000000       10.64180 
1 1 1 9   11  9  o 749.0083 10.48513 13451.47       375.4644 13147.44       1271.622 13480.51       392.9854 727.3875 36.68498 749.7102 10.96414 -22.32269      38.28838 
1 1 1 9   11  10 o 149.8493 15.42498 546.0090       108.9298 563.9481       126.5992 494.8610       213.7690 151.9063 17.76721 139.0928 32.70074 12.81354       37.21576 
1 1 1 9   11  11 o 661.7894 11.04884 10507.50       349.5787 10577.21       373.0541 10005.36       1001.270 663.8219 11.75471 635.8904 33.04862 27.93146       35.07684 
1 1 1 9   11  12 o 399.8163 15.49573 3855.905       295.6363 3891.466       416.1028 3819.655       420.1118 399.8933 21.84746 396.0368 22.27796 3.856567       31.20287 
1 1 1 9   11  13 o 315.8440 10.94702 2397.221       165.0516 2415.261       225.4028 2376.366       242.3544 316.3181 14.94710 313.4835 16.22589 2.834595       22.06117 
1 1 1 9   11  14 o 470.9807 10.98684 5326.300       247.3911 5526.753       279.9458 4611.674       528.5756 479.3539 12.22542 433.2761 25.63179 46.07779       28.39805 
1 1 1 9   11  15 o 416.3095 16.23616 4193.375       322.5334 4485.349       451.5549 3889.259       460.8492 428.4046 22.12185 397.9203 24.34094 30.48428       32.89160 
1 1 1 9   11  16 o 334.6693 13.95259 2704.931       222.7540 2615.357       308.1090 2803.021       322.4215 327.3915 19.77692 338.8999 19.98836 -11.50842      28.11869 
1 1 1 9   11  17 o 191.7835 14.68297 893.3815       133.6037 852.1945       204.5916 924.0043       176.4129 184.9518 23.68028 193.9740 19.27783 -9.022263      30.53507 
1 1 1 9   11  18 o 69.31030 24.54728 104.6613       101.7340 244.1155       115.0803 -394.1234      217.6416 97.64019 24.65248 52.92415 25.87884 44.71604       35.74155 
1 1 1 9   11  19 o 137.3898 19.51459 469.7764       124.5793 535.9365       141.9407 247.8686       259.9532 146.5318 20.84885 105.5551 38.97907 40.97671       44.20455 
1 1 1 9   11  20 o 201.2345 15.98863 989.8144       152.5596 1066.440       224.0595 923.5856       208.3047 206.5539 23.08354 192.0349 23.15558 14.51898       32.69603 
1 1 1 9   11  21 o 107.2867 26.67766 299.6814       136.2589 405.8414       216.6937 230.2542       175.2390 123.1835 35.09849 96.37804 32.29504 26.80546       47.69564 
1 1 1 9   11  22 o 48.72255 22.26757 -69.86975      115.8603 -130.0339      126.3508 247.9756       290.4137 46.53428 21.92808 106.6567 40.80527 -60.12240      46.32398 
1 1 1 9   11  23 o 163.4975 17.34048 660.7952       133.4799 803.7871       172.9283 450.0223       209.9508 179.3818 20.53372 129.2121 33.65675 50.16974       39.42601 
1 1 1 9   11  24 o 126.1544 32.96439 429.9571       200.9816 591.5348       253.7311 157.8512       329.2698 146.7034 36.36090 101.2225 41.83527 45.48096       55.42838 
1 1 1 9   11  25 o 170.8040 22.11622 738.2001       176.3641 894.7111       273.5268 626.8325       230.7314 183.0078 32.45043 152.4480 32.64185 30.55978       46.02739 
1 1 1 9   11  26 o 144.3763 24.79054 540.2991       164.9539 666.2791       186.2763 82.57974       355.0638 160.5202 25.09385 97.03439 41.90348 63.48581       48.84263 
1 1 1 9   11  27 o 136.2862 22.94734 479.2827       144.2113 346.1095       188.8488 665.5742       223.3585 112.3617 32.99410 157.0497 30.84904 -44.68800      45.16940 
1 1 1 9   11  28 o 185.5153 21.66086 875.6932       188.5049 998.3793       296.6227 792.5766       244.1464 190.6521 33.77910 171.2190 30.96518 19.43307       45.82434 
1 1 1 9   11  29 o 142.9988 21.13369 523.3532       140.1360 594.0294       178.4489 409.6421       226.3490 150.2818 25.76378 120.1885 36.32589 30.09337       44.53473 
1 1 1 9   11  30 o 182.4130 21.41720 851.7862       183.2247 855.2571       211.7217 841.4328       365.6631 180.5790 25.21009 163.7856 45.21544 16.79337       51.76857 
1 1 1 9   11  31 o 330.7476 16.49957 2729.208       260.0783 2763.181       357.8445 2691.171       378.6492 326.3903 23.08123 320.0126 24.94618 6.377686       33.98610 
1 1 1 9   11  32 o 85.35361 32.01803 182.9204       176.7242 248.0577       304.8943 149.9647       216.8704 99.53883 40.59967 84.68612 34.35251 14.85271       53.18297 
1 1 1 9   11  33 o 44.12885 21.37187 -195.6051      138.9684 -551.9656      181.6062 307.8927       215.8662 39.49623 19.95686 101.9620 35.78763 -62.46575      40.97598 
1 1 1 9   11  34 o 103.0042 33.40574 326.5278       188.0320 423.7727       316.8482 273.6624       233.6166 110.7061 42.55414 95.74121 36.60586 14.96485       56.13238 
1 1 1 9   11  35 o 76.13087 29.09658 155.0550       147.5620 213.2495       189.8577 66.26497       234.5144 85.26327 32.89695 74.31133 33.00567 10.95194       46.60025 
1 1 1 9   11  36 o 54.12275 24.84695 -40.76133      146.4387 -368.9322      188.5090 458.6497       232.5473 44.77327 22.28797 112.2051 37.19331 -67.43185      43.36007 
1 1 1 9   11  37 o 60.46923 26.25576 52.36343       140.9359 365.1378       200.7989 -251.3240      197.8605 99.12468 34.53537 49.59803 24.33975 49.52665       42.25063 
1 1 1 9   11  38 o 128.8703 31.12978 578.8583       189.6241 748.3612       354.6547 511.0039       224.3914 113.1355 44.58228 110.7485 36.52833 2.386971       57.63591 
1 1 1 9   12  0  o 163.8894 9.720716 646.1664       75.82323 731.9355       106.4971 557.9940       107.9788 174.0725 12.88815 151.5200 15.10708 22.55246       19.85770 
1 1 1 9   12  1  o 465.6474 9.000461 5195.612       200.3689 5258.479       526.6614 5184.973       216.6616 464.5511 23.79242 465.0743 9.744314 -0.5231628     25.71052 
1 1 1 9   12  2  o 548.7798 15.75059 7256.837       412.8134 7452.622       713.5206 7158.329       506.1215 551.8599 27.12703 543.8884 19.49574 7.971497       33.40598 
1 1 1 9   12  3  o 176.8006 10.20686 751.9260       85.90813 0.000000       0.000000 751.9260       85.90813 ?        ?        176.8006 10.20686 0.000000       10.20686 
1 1 1 9   12  4  o 433.9776 7.833788 4509.997       162.5352 0.000000       0.000000 4509.997       162.5352 ?        ?        433.9776 7.833788 0.000000       7.833788 
1 1 1 9   12  5  o 111.2452 10.69028 299.5108       56.15724 0.000000       0.000000 299.5108       56.15724 ?        ?        111.2452 10.69028 0.000000       10.69028 
1 1 1 9   12  6  o 158.8765 9.898080 607.4379       74.80945 0.000000       0.000000 607.4379       74.80945 ?        ?        158.8765 9.898080 0.000000       9.898080 
1 1 1 9   12  7  o 302.4202 8.395685 2192.511       121.2704 0.000000       0.000000 2192.511       121.2704 ?        ?        302.4202 8.395685 0.000000       8.395685 
1 1 1 9   12  8  o 555.4832 10.04856 7398.786       266.8597 0.000000       0.000000 7398.786       266.8597 ?        ?        555.4832 10.04856 0.000000       10.04856 
1 1 1 9   12  9  o 373.6867 11.84589 3356.260       211.3658 2905.271       364.9817 3583.830       259.2660 345.2398 22.23086 385.7335 14.08249 -40.49368      26.31592 
1 1 1 9   12  10 o 89.72365 11.49218 196.3990       48.16631 86.15810       80.44289 258.0116       60.13831 62.82676 21.86071 102.8838 12.48128 -40.05704      25.17286 
1 1 1 9   12  11 o 208.6122 13.21937 1050.828       131.1655 1125.990       160.7913 901.3250       226.7709 215.5403 15.71153 190.4205 25.55397 25.11977       29.99763 
1 1 1 9   12  12 o 319.0518 13.53509 2454.415       205.9884 2535.315       286.5526 2367.907       296.3159 323.0493 18.63261 311.7879 19.98389 11.26135       27.32270 
1 1 1 9   12  13 o 469.0950 10.92737 5285.475       245.0671 5394.481       275.7102 4875.235       534.8668 473.4769 12.19009 445.2734 25.22847 28.20343       28.01917 
1 1 1 9   12  14 f 308.0240 11.74698 2284.792       172.6723 2626.648       223.4912 1778.516       271.9775 329.7503 14.20978 269.3503 21.29375 60.40002       25.59965 
1 1 1 9   12  15 o 304.0412 13.72663 2233.550       199.0138 2412.514       277.8391 2044.976       285.2013 314.6520 18.55180 288.8911 20.78847 25.76089       27.86269 
1 1 1 9   12  16 o 260.6243 13.10587 1641.764       162.7770 1833.958       221.6250 1416.647       239.8573 274.5008 16.97054 239.8947 21.12906 34.60612       27.10049 
1 1 1 9   12  17 o 198.8612 12.82987 957.7174       121.3268 1118.459       160.9776 746.3334       184.6025 214.2779 15.82542 172.8547 22.90110 41.42323       27.83710 
1 1 1 9   12  18 o 570.6411 11.36202 7844.423       309.9752 8104.591       341.4927 6626.941       738.7299 579.6335 12.32309 511.8177 30.32586 67.81583       32.73402 
1 1 1 9   12  19 o 37.20356 17.62862 -97.66055      83.79257 -112.6293      110.6580 -77.54213      128.2883 43.83999 20.61582 51.28012 23.43455 -7.440125      31.21202 
1 1 1 9   12  20 o 127.5494 21.45975 411.3214       126.2202 436.1421       142.0859 318.4284       274.8749 130.7467 23.59880 113.4106 40.33121 17.33612       46.72805 
1 1 1 9   12  21 o 269.9679 14.25980 1773.246       183.3965 1732.709       247.3027 1822.782       273.3767 264.7778 19.67680 270.8648 21.28139 -6.087036      28.98403 
1 1 1 9   12  22 o 160.2129 20.21335 642.0407       151.3868 768.5770       228.4509 542.9709       202.1417 171.9443 28.80867 143.2957 30.44640 28.64864       41.91566 
1 1 1 9   12  23 o 279.4748 14.79812 1906.224       197.0185 2041.016       268.1440 1748.081       290.4424 286.9990 19.66123 263.6349 23.28255 23.36414       30.47362 
1 1 1 9   12  24 o 192.5803 19.01753 922.9313       172.8121 981.7776       254.5981 872.6574       235.3246 194.3231 28.22973 183.2890 27.71975 11.03404       39.56390 
1 1 1 9   12  25 o 95.30561 26.49618 239.1799       125.0798 124.9856       155.1929 450.8618       211.2961 78.41402 29.87090 128.0483 33.96307 -49.63428      45.23009 
1 1 1 9   12  26 o 240.9794 17.71857 1440.692       202.7074 1404.123       239.1848 1533.912       381.8856 235.9164 21.44035 237.2526 34.69326 -1.336151      40.78371 
1 1 1 9   12  27 o 222.9134 16.84255 1231.524       178.1670 1590.080       234.5500 742.4075       273.9445 251.9048 19.63047 162.3527 36.21519 89.55211       41.19339 
1 1 1 9   12  28 o 124.2756 30.97131 424.0364       183.3484 420.6096       300.2375 426.0744       231.5359 121.3247 42.23201 122.4926 36.67674 -1.167908      55.93501 
1 1 1 9   12  29 o 51.33990 24.33724 -163.6113      160.0256 -388.5417      177.3315 822.9907       371.3923 44.31366 21.98426 162.0603 45.87423 -117.7467      50.86996 
1 1 1 9   12  30 o 147.7478 23.51282 574.1203       160.5261 654.1412       213.3959 469.8149       243.6339 153.7337 30.11185 125.4388 37.63751 28.29491       48.20068 
1 1 1 9   12  31 o 129.5060 24.02442 448.7747       143.2725 376.8630       181.3822 568.0820       233.6299 114.2798 31.95740 138.3475 35.23238 -24.06767      47.56675 
1 1 1 9   12  32 o 79.25641 28.36488 161.3369       136.1740 30.47500       173.0148 374.3707       220.7502 67.45257 29.18999 111.0291 36.20915 -43.57652      46.50976 
1 1 1 9   12  33 o 44.98358 21.57902 -157.4898      133.8255 -152.1894      169.3216 -166.3116      218.4409 52.53446 24.94145 60.04917 28.45657 -7.514706      37.83982 
1 1 1 9   12  34 o 101.7229 33.53219 329.0237       189.1002 259.0235       312.7336 369.3684       237.4207 94.23852 39.97433 104.7635 37.45816 -10.52494      54.78193 
1 1 1 9   12  35 o 82.91315 31.76188 204.3675       176.1026 272.6607       196.7703 -70.45683      394.7285 91.55826 33.89430 78.29667 37.42535 13.26159       50.49237 
1 1 1 9   12  36 o 109.0462 33.16635 409.4726       188.2768 439.4573       212.0352 297.7147       409.3522 110.1654 35.45232 91.25079 41.76136 18.91465       54.78027 
1 1 1 9   12  37 o 62.10527 29.87177 -104.9786      260.3623 -199.4211      334.9272 39.25304       413.9015 64.63453 31.70829 76.15235 36.88166 -11.51782      48.63818 
1 1 1 9   13  0  o 179.7687 8.856451 776.6399       75.88276 815.2694       98.46910 720.1550       119.0712 183.9026 11.25351 172.2835 14.59337 11.61909       18.42846 
1 1 1 9   13  1  o 64.17971 12.01775 102.1605       35.51991 29.41159       57.98435 145.8566       44.93855 45.87915 18.04267 76.89713 12.66411 -31.01799      22.04354 
1 1 1 9   13  2  o 100.7071 9.875728 245.5934       46.93783 233.8265       69.10969 255.6689       63.95036 97.34002 15.35914 102.2352 13.40655 -4.895134      20.38722 
1 1 1 9   13  3  o 51.70269 17.80560 58.78204       53.30862 0.000000       0.000000 58.78204       53.30862 ?        ?        51.70269 17.80560 0.000000       17.80560 
1 1 1 9   13  4  o 217.6913 10.52097 1139.847       109.1735 0.000000       0.000000 1139.847       109.1735 ?        ?        217.6913 10.52097 0.000000       10.52097 
1 1 1 9   13  5  o 168.4083 10.81551 683.5258       86.61974 0.000000       0.000000 683.5258       86.61974 ?        ?        168.4083 10.81551 0.000000       10.81551 
1 1 1 9   13  6  o 333.9903 13.02294 2686.659       207.5478 0.000000       0.000000 2686.659       207.5478 ?        ?        333.9903 13.02294 0.000000       13.02294 
1 1 1 9   13  7  o 227.4986 11.16317 1245.750       121.0449 0.000000       0.000000 1245.750       121.0449 ?        ?        227.4986 11.16317 0.000000       11.16317 
1 1 1 9   13  8  o 397.9617 9.325672 3798.175       177.4311 0.000000       0.000000 3798.175       177.4311 ?        ?        397.9617 9.325672 0.000000       9.325672 
1 1 1 9   13  9  o 232.7421 9.291954 1301.253       103.1850 0.000000       0.000000 1301.253       103.1850 ?        ?        232.7421 9.291954 0.000000       9.291954 
1 1 1 9   13  10 o 340.3058 8.026417 2775.517       130.5869 2654.564       315.8374 2800.457       143.4199 329.9767 20.11594 341.6316 8.788276 -11.65485      21.95187 
1 1 1 9   13  11 f 356.7726 11.37922 3062.422       193.8459 3052.575       332.5295 3067.491       238.5758 353.9278 19.73011 356.4740 14.02615 -2.546204      24.20765 
1 1 1 9   13  12 o 57.29305 18.88374 76.32718       59.97210 104.6750       73.86301 21.48471       102.7367 65.97691 20.89134 56.12960 23.29876 9.847313       31.29345 
1 1 1 9   13  13 o 198.2481 12.06282 949.3739       113.7904 1004.136       152.1547 879.8755       171.4082 203.1713 15.78827 189.2935 19.20589 13.87785       24.86233 
1 1 1 9   13  14 o 183.9922 13.60443 821.1094       118.8243 995.7138       171.6944 660.6072       164.6149 201.6924 17.99445 163.0021 21.65912 38.69035       28.15879 
1 1 1 9   13  15 o 340.8507 14.41666 2813.345       234.3988 2942.359       328.1724 2678.979       334.9102 346.6068 19.88766 330.0793 21.33706 16.52740       29.16829 
1 1 1 9   13  16 o 313.9061 12.27496 2379.766       183.8613 2623.739       238.0031 2018.677       289.5476 328.7529 15.18375 286.0880 21.32291 42.66486       26.17657 
1 1 1 9   13  17 o 172.0162 14.68351 721.9217       119.6022 773.8568       139.8898 580.8031       230.5939 177.6361 16.66668 148.1595 33.36009 29.47659       37.29174 
1 1 1 9   13  18 o 173.7016 14.66053 736.7020       120.6124 688.7704       169.3234 786.0735       171.8479 165.7853 21.89797 177.7177 20.60732 -11.93234      30.06964 
1 1 1 9   13  19 o 345.7792 14.55421 2906.359       240.0622 2861.166       331.1940 2956.388       348.4622 340.3435 20.44863 345.5692 21.19368 -5.225708      29.45027 
1 1 1 9   13  20 o 436.7657 17.11698 4666.989       356.7322 4916.444       500.5780 4409.569       508.5064 443.7152 23.68292 418.7192 25.52308 24.99606       34.81821 
1 1 1 9   13  21 o 140.6005 20.38338 496.9699       133.0250 621.9471       149.8851 33.32096       288.6939 157.5776 20.37178 87.68572 37.82506 69.89184       42.96213 
1 1 1 9   13  22 o 222.9621 14.77493 1215.170       156.6059 1309.282       207.0790 1089.428       239.3599 229.8459 19.01475 207.0120 24.66993 22.83395       31.14750 
1 1 1 9   13  23 o 71.91290 27.08446 104.0812       126.7330 108.2432       138.4660 82.59779       314.5880 74.15293 28.22300 93.62499 39.91670 -19.47206      48.88641 
1 1 1 9   13  24 f 277.7818 15.21547 1890.978       201.2963 2094.854       269.7402 1634.737       302.4037 290.1356 19.56059 252.7452 25.36892 37.39038       32.03434 
1 1 1 9   13  25 o 38.03654 18.82752 -279.4998      127.3397 -259.9248      137.0362 -403.3197      344.6514 41.23037 20.23800 71.08948 34.23768 -29.85911      39.77179 
1 1 1 9   13  26 o 568.9461 21.98771 8161.466       596.9545 8889.836       835.5921 7402.212       853.1230 580.6933 30.20190 522.7567 34.32521 57.93665       45.72062 
1 1 1 9   13  27 o 110.0999 26.39791 323.8586       137.1508 277.4520       167.6534 417.7489       238.4693 101.3345 31.38614 121.2581 37.41113 -19.92362      48.83321 
1 1 1 9   13  28 o 193.6908 21.96012 959.3486       199.7695 848.8387       298.5024 1048.995       268.8518 172.0173 37.36799 197.9056 29.29889 -25.88828      47.48465 
1 1 1 9   13  29 o 142.3487 24.04368 534.5106       157.8080 463.9453       202.7566 642.9408       251.3359 127.5170 33.00501 148.6775 35.79154 -21.16048      48.68640 
1 1 1 9   13  30 f 173.9012 19.67453 775.0937       160.7046 808.9349       204.0175 719.7682       260.8593 174.1066 25.24562 156.1948 35.71229 17.91177       43.73453 
1 1 1 9   13  31 o 176.1288 21.61370 811.1029       178.1877 766.8068       199.2363 988.1421       398.3092 168.4619 25.53732 168.4688 47.44523 -0.6896973E-02 53.88139 
1 1 1 9   13  32 o 157.0499 23.49498 661.9512       170.9968 616.9078       189.7630 856.4925       394.3680 148.4381 27.76006 152.0198 48.28950 -3.581696      55.70006 
1 1 1 9   13  33 o 61.30535 26.00952 44.31119       132.4386 -93.63279      162.1846 320.3915       229.4437 54.31025 25.35127 100.1074 36.67913 -45.79711      44.58750 
1 1 1 9   13  34 o 105.0969 33.07650 361.6126       185.4144 420.4507       293.1849 322.3957       239.3587 105.4834 40.83128 97.16122 37.07645 8.322136       55.15303 
1 1 1 9   13  35 o 58.91109 25.79461 28.97662       138.4891 -50.99496      173.5606 169.1249       229.7615 57.46815 26.62026 80.12746 34.13606 -22.65930      43.28867 
1 1 1 9   13  36 o 132.8909 26.28600 541.4410       161.0869 603.9575       205.3859 441.5146       259.6647 132.1764 32.68679 101.6173 38.65542 30.55908       50.62280 
1 1 1 9   13  37 o 53.30788 25.69955 -126.9615      195.3482 -372.2662      325.6436 10.93855       244.1585 57.93921 28.91355 64.98916 30.58043 -7.049946      42.08511 
1 1 1 9   14  0  o 137.4052 9.521017 455.3069       62.15852 450.8340       86.72454 460.0319       89.13589 136.1223 13.50397 137.4740 13.74614 -1.351715      19.26950 
1 1 1 9   14  1  f 380.6507 11.80188 3488.107       214.5168 3364.960       369.0431 3550.951       263.6297 371.0967 20.88516 383.4112 14.40769 -12.31442      25.37265 
1 1 1 9   14  2  o 319.8293 10.36783 2459.098       158.3216 2289.091       270.9023 2547.285       195.1098 306.6402 18.56585 325.0899 12.57730 -18.44971      22.42496 
1 1 1 9   14  3  o 107.6554 11.20662 281.4927       56.83584 0.000000       0.000000 281.4927       56.83584 ?        ?        107.6554 11.20662 0.000000       11.20662 
1 1 1 9   14  4  o 308.0929 12.57778 2288.077       184.8758 0.000000       0.000000 2288.077       184.8758 ?        ?        308.0929 12.57778 0.000000       12.57778 
1 1 1 9   14  5  o 335.0574 13.71441 2709.625       219.2229 0.000000       0.000000 2709.625       219.2229 ?        ?        335.0574 13.71441 0.000000       13.71441 
1 1 1 9   14  6  o 206.3831 10.95362 1026.305       107.6917 0.000000       0.000000 1026.305       107.6917 ?        ?        206.3831 10.95362 0.000000       10.95362 
1 1 1 9   14  7  o 331.1781 13.22991 2646.119       209.0509 0.000000       0.000000 2646.119       209.0509 ?        ?        331.1781 13.22991 0.000000       13.22991 
1 1 1 9   14  8  o 223.0033 11.06689 1198.229       117.6214 0.000000       0.000000 1198.229       117.6214 ?        ?        223.0033 11.06689 0.000000       11.06689 
1 1 1 9   14  9  o 215.5962 11.32305 1120.757       116.3022 0.000000       0.000000 1120.757       116.3022 ?        ?        215.5962 11.32305 0.000000       11.32305 
1 1 1 9   14  10 o 156.8382 10.88939 594.1651       81.14439 0.000000       0.000000 594.1651       81.14439 ?        ?        156.8382 10.88939 0.000000       10.88939 
1 1 1 9   14  11 o 274.0318 7.811146 1802.046       102.2305 1674.063       172.8456 1870.905       126.7839 263.0226 13.79359 278.9626 9.520210 -15.94000      16.76000 
1 1 1 9   14  12 o 144.3279 9.516520 502.4794       65.29901 545.6060       109.5712 478.7268       81.31669 149.3402 15.57522 140.4392 12.23303 8.900970       19.80491 
1 1 1 9   14  13 o 81.19511 17.77555 166.4224       67.08405 103.7496       83.08694 283.7859       113.6998 66.62492 22.23602 105.4333 23.18846 -38.80833      32.12702 
1 1 1 9   14  14 o 51.13927 21.13734 20.32050       84.06364 -48.94122      125.4895 76.70293       113.2225 53.29714 23.87568 66.22707 25.44284 -12.92993      34.89106 
1 1 1 9   14  15 o 230.1834 13.26496 1284.759       145.3600 1312.362       184.3085 1239.336       236.4322 231.6868 16.75246 223.1418 22.46799 8.544998       28.02598 
1 1 1 9   14  16 o 254.0470 13.62028 1566.262       164.8231 1621.872       219.1949 1493.907       250.0264 257.1336 17.94308 245.3541 21.53311 11.77948       28.02907 
1 1 1 9   14  17 o 361.9478 15.16339 3187.498       261.8108 3431.015       366.1958 2932.874       374.4549 372.8034 20.62629 343.2992 22.94665 29.50421       30.85438 
1 1 1 9   14  18 o 329.5100 12.21707 2627.290       192.1284 2714.940       239.2704 2468.199       322.3568 333.9398 15.02541 315.3772 21.50825 18.56262       26.23676 
1 1 1 9   14  19 o 248.6927 13.49479 1503.138       159.8481 1669.893       213.9256 1292.340       240.5235 260.8357 17.25180 227.2287 22.43276 33.60703       28.29935 
1 1 1 9   14  20 o 78.83208 23.51403 157.7636       95.30714 153.7766       103.3359 180.4716       246.6129 78.41683 24.69478 95.59016 37.32245 -17.17332      44.75262 
1 1 1 9   14  21 o 112.1168 18.69140 316.9474       96.66394 406.1141       118.8503 142.6987       166.1436 126.7167 20.30348 82.49355 31.02366 44.22312       37.07693 
1 1 1 9   14  22 o 55.77163 24.07845 -2.046977      117.1787 46.65706       127.2337 -274.1665      300.7457 63.83199 26.15376 70.82484 33.51176 -6.992844      42.50950 
1 1 1 9   14  23 f 186.1276 16.24235 855.4385       143.0869 877.0666       184.3706 822.6829       226.8949 186.5190 21.04259 177.3510 27.66214 9.168015       34.75607 
1 1 1 9   14  24 o 231.8210 15.35910 1321.711       169.2666 1312.920       220.5869 1334.301       263.9707 228.6377 20.39397 228.0701 24.59770 0.5675507      31.95247 
1 1 1 9   14  25 o 70.13660 26.41999 101.5533       120.6024 45.15758       148.3313 211.5501       207.1571 66.96334 27.91183 93.91025 34.77511 -26.94691      44.59124 
1 1 1 9   14  26 o 238.8547 17.37095 1417.076       197.0095 947.4454       226.7275 2864.566       398.0463 190.8777 25.48102 333.6668 25.13725 -142.7891      35.79334 
1 1 1 9   14  27 o 299.7989 15.85618 2220.211       226.4591 2022.639       298.0855 2489.891       348.2594 281.6995 22.31551 311.6199 23.55026 -29.92041      32.44375 
1 1 1 9   14  28 o 83.80560 32.36965 156.5281       183.9648 257.8025       278.1707 77.80153       245.2576 101.3361 39.61746 82.37254 35.18561 18.96355       52.98651 
1 1 1 9   14  29 o 177.4077 22.06467 819.3759       183.1122 973.7127       208.7874 305.0760       381.1340 192.8400 23.10586 108.3757 44.92074 84.46423       50.51488 
1 1 1 9   14  30 o 67.90678 27.65440 76.42543       141.1938 209.2955       173.8040 -181.4424      242.1279 88.51509 31.99883 63.62962 30.09586 24.88547       43.92820 
1 1 1 9   14  31 o 58.49305 25.85940 -7.640655      142.3185 68.15858       177.1315 -145.6931      239.0482 71.33736 30.16420 64.53505 30.33297 6.802315       42.77813 
1 1 1 9   14  32 o 132.3152 23.60397 480.6358       143.8374 530.6464       175.4645 378.1783       251.1484 135.7825 27.96114 106.9330 38.49049 28.84956       47.57461 
1 1 1 9   14  33 o 120.8273 25.88154 422.7246       145.0049 316.9284       176.3420 643.6281       254.8132 99.49142 32.35696 136.3458 37.78509 -36.85435      49.74622 
1 1 1 9   14  34 o 119.9587 29.31009 447.3814       166.6406 557.1308       183.2071 -78.45846      401.0218 134.4202 29.33423 77.46513 37.21135 56.95510       47.38335 
1 1 1 9   14  35 f 66.47401 28.22120 93.45563       156.0964 125.3503       169.1318 -89.85652      405.4728 70.81594 29.68162 74.17198 36.05758 -3.356041      46.70275 
1 1 1 9   14  36 o 89.82201 33.41760 313.4524       191.7154 917.5047       296.4340 -120.8698      251.3603 145.1412 40.94959 59.85320 28.92817 85.28796       50.13689 
1 1 1 9   15  0  o 35.90932 13.13920 25.06318       29.42722 17.83291       36.47326 38.54720       49.80892 36.22425 14.29011 45.59976 17.01995 -9.375515      22.22355 
1 1 1 9   15  1  o 296.8265 6.542535 2110.930       92.84470 1967.108       148.4229 2203.387       119.0025 285.7590 10.88397 302.9470 8.224002 -17.18802      13.64167 
1 1 1 9   15  2  o 278.3656 8.601395 1861.254       114.3329 0.000000       0.000000 1861.254       114.3329 ?        ?        278.3656 8.601395 0.000000       8.601395 
1 1 1 9   15  3  o 389.5967 15.14035 3677.081       281.4699 0.000000       0.000000 3677.081       281.4699 ?        ?        389.5967 15.14035 0.000000       15.14035 
1 1 1 9   15  4  o 242.2597 11.34037 1415.360       130.9814 0.000000       0.000000 1415.360       130.9814 ?        ?        242.2597 11.34037 0.000000       11.34037 
1 1 1 9   15  5  o 142.9673 11.26815 494.8223       76.39678 0.000000       0.000000 494.8223       76.39678 ?        ?        142.9673 11.26815 0.000000       11.26815 
1 1 1 9   15  6  o 79.18265 12.87999 154.9761       47.08471 0.000000       0.000000 154.9761       47.08471 ?        ?        79.18265 12.87999 0.000000       12.87999 
1 1 1 9   15  7  o 177.0154 11.07771 756.8436       93.27962 0.000000       0.000000 756.8436       93.27962 ?        ?        177.0154 11.07771 0.000000       11.07771 
1 1 1 9   15  8  o 123.0145 12.49343 368.4758       72.45799 0.000000       0.000000 368.4758       72.45799 ?        ?        123.0145 12.49343 0.000000       12.49343 
1 1 1 9   15  9  o 352.7537 8.523685 2986.725       143.7498 0.000000       0.000000 2986.725       143.7498 ?        ?        352.7537 8.523685 0.000000       8.523685 
1 1 1 9   15  10 o 458.0099 8.413751 5035.166       184.2353 0.000000       0.000000 5035.166       184.2353 ?        ?        458.0099 8.413751 0.000000       8.413751 
1 1 1 9   15  11 o 404.2943 16.20386 3975.282       312.5675 0.000000       0.000000 3975.282       312.5675 ?        ?        404.2943 16.20386 0.000000       16.20386 
1 1 1 9   15  12 o 200.7186 8.722919 969.4611       83.50639 800.5182       150.5349 1044.559       100.3647 180.4244 17.67818 208.1300 10.11674 -27.70561      20.36827 
1 1 1 9   15  13 o 168.8476 9.027551 687.0549       72.60918 691.1949       130.5985 685.2028       87.35458 167.7953 16.49273 168.3061 10.91506 -0.5108185     19.77748 
1 1 1 9   15  14 o 70.82196 19.58398 126.8027       68.53414 170.0035       83.56435 38.04300       119.7796 81.59258 21.22400 61.72623 25.34297 19.86634       33.05638 
1 1 1 9   15  15 o 227.0605 12.08684 1248.447       130.7360 1283.713       169.2916 1196.340       205.7814 229.3074 15.53389 219.9023 19.78478 9.405075       25.15431 
1 1 1 9   15  16 f 335.3311 13.70804 2728.986       219.3012 3171.565       339.1476 2410.959       287.4919 358.6494 19.85678 312.8258 19.31694 45.82355       27.70263 
1 1 1 9   15  17 o 221.6962 13.45070 1195.077       141.8938 1185.329       192.2492 1206.741       210.2997 219.1449 18.52282 220.4921 20.17302 -1.347214      27.38696 
1 1 1 9   15  18 o 370.8942 12.42716 3332.280       220.0476 3450.726       269.5709 3095.750       380.9397 376.3026 15.01413 352.0556 22.75459 24.24695       27.26161 
1 1 1 9   15  19 o 470.8391 14.14653 5392.508       318.0811 6756.902       633.6993 4932.976       367.7661 517.0392 25.71678 448.4702 17.18439 68.56909       30.92985 
1 1 1 9   15  20 o 106.8179 18.85441 288.7723       92.76749 336.1316       113.2518 192.1968       161.7246 114.6294 21.45361 89.00677 30.99461 25.62259       37.69513 
1 1 1 9   15  21 o 233.1333 13.96233 1327.597       154.9089 1562.616       204.4287 1010.660       237.3981 251.6949 17.09002 198.2261 25.65083 53.46873       30.82262 
1 1 1 9   15  22 o 170.0839 16.79298 717.4572       134.7726 797.3430       150.5667 395.4864       302.2751 178.9838 17.83276 120.0085 42.33009 58.97529       45.93304 
1 1 1 9   15  23 o 256.8387 14.19011 1615.314       173.5655 1464.645       220.6086 1860.090       281.1861 242.1354 19.21449 271.3754 21.85754 -29.24005      29.10239 
1 1 1 9   15  24 o 221.0981 15.80587 1206.353       165.9730 1412.653       215.1835 903.3739       260.7751 237.6827 19.09724 183.2512 30.86074 54.43144       36.29174 
1 1 1 9   15  25 o 86.65096 27.12251 196.1449       124.8398 53.94046       152.4361 485.7838       217.5502 68.53313 28.40776 131.5263 34.26091 -62.99319      44.50630 
1 1 1 9   15  26 f 228.7953 16.38148 1299.311       178.0021 1448.799       229.3774 1073.001       282.2272 239.3981 20.23029 198.9715 30.65153 40.42656       36.72575 
1 1 1 9   15  27 o 133.5366 32.51124 507.6040       205.5855 510.9996       240.2164 498.3081       397.4589 131.2937 36.79928 125.5259 47.80680 5.767754       60.32973 
1 1 1 9   15  28 o 122.1805 30.85809 424.8775       180.2693 560.0477       276.5993 325.0681       237.6820 133.9223 40.08460 105.9230 37.51989 27.99934       54.90462 
1 1 1 9   15  29 o 217.3593 17.49902 1196.061       180.3090 1362.542       233.6389 950.8803       283.5335 228.8277 21.61245 180.4376 34.11725 48.39011       40.38669 
1 1 1 9   15  30 o 138.3342 26.58309 530.2476       169.4233 636.9414       187.9170 66.82144       391.6396 151.6802 26.89849 91.20028 41.39251 60.47994       49.36465 
1 1 1 9   15  31 o 135.9213 24.89684 513.5234       155.8255 452.5999       191.3997 633.2841       268.3528 121.4950 32.37028 137.2789 39.04030 -15.78388      50.71469 
1 1 1 9   15  32 o 102.8463 29.48005 324.5732       152.4248 568.1919       187.7230 -146.8395      261.1336 137.2923 29.48059 64.66574 30.77879 72.62651       42.61971 
1 1 1 9   15  33 o 79.85220 32.56749 176.6884       196.1703 408.9435       319.3753 35.97467       248.5919 101.5320 41.49946 72.06156 32.81226 29.47044       52.90415 
1 1 1 9   15  34 o 81.09414 30.07931 209.7575       155.1054 333.4581       196.8472 7.189586       251.9003 96.09367 34.13453 68.63060 31.88691 27.46307       46.71125 
1 1 1 9   15  35 o 41.48715 20.50769 -241.6398      149.2418 -224.4134      188.7891 -270.3411      243.6861 48.52438 23.80520 53.73257 26.49401 -5.208195      35.61770 
1 1 1 9   16  0  o 241.5637 7.705596 1401.321       88.87719 1322.547       126.5035 1478.104       124.8946 234.0375 11.33974 247.6055 10.57490 -13.56799      15.50543 
1 1 1 9   16  1  o 72.28449 10.27434 128.1620       34.50762 142.6216       51.29182 116.2056       46.64129 75.49317 14.74033 67.99595 14.77106 7.497223       20.86771 
1 1 1 9   16  2  o 200.6103 10.85052 971.6221       103.6795 0.000000       0.000000 971.6221       103.6795 ?        ?        200.6103 10.85052 0.000000       10.85052 
1 1 1 9   16  3  o 304.6164 8.565080 2229.695       124.6125 0.000000       0.000000 2229.695       124.6125 ?        ?        304.6164 8.565080 0.000000       8.565080 
1 1 1 9   16  4  o 268.1580 9.169070 1729.700       117.3776 0.000000       0.000000 1729.700       117.3776 ?        ?        268.1580 9.169070 0.000000       9.169070 
1 1 1 9   16  5  o 449.8037 17.11530 4929.801       367.3862 0.000000       0.000000 4929.801       367.3862 ?        ?        449.8037 17.11530 0.000000       17.11530 
1 1 1 9   16  6  o 147.7460 10.75637 528.2524       75.45788 0.000000       0.000000 528.2524       75.45788 ?        ?        147.7460 10.75637 0.000000       10.75637 
1 1 1 9   16  7  o 347.4982 14.76152 2930.957       244.6817 0.000000       0.000000 2930.957       244.6817 ?        ?        347.4982 14.76152 0.000000       14.76152 
1 1 1 9   16  8  o 250.0822 9.486519 1505.674       113.2165 0.000000       0.000000 1505.674       113.2165 ?        ?        250.0822 9.486519 0.000000       9.486519 
1 1 1 9   16  9  f 346.1604 13.86129 2904.418       228.9341 0.000000       0.000000 2904.418       228.9341 ?        ?        346.1604 13.86129 0.000000       13.86129 
1 1 1 9   16  10 o 73.02531 14.31109 133.5173       48.17634 0.000000       0.000000 133.5173       48.17634 ?        ?        73.02531 14.31109 0.000000       14.31109 
1 1 1 9   16  11 o 322.8087 9.651350 2508.817       148.7831 0.000000       0.000000 2508.817       148.7831 ?        ?        322.8087 9.651350 0.000000       9.651350 
1 1 1 9   16  12 o 153.7606 12.25049 574.5154       89.31076 0.000000       0.000000 574.5154       89.31076 ?        ?        153.7606 12.25049 0.000000       12.25049 
1 1 1 9   16  13 o 216.0711 8.920558 1124.195       91.95219 798.6185       161.2780 1281.003       111.9263 179.5480 19.08005 230.4256 10.18515 -50.87759      21.62835 
1 1 1 9   16  14 o 128.9269 10.09827 402.7094       61.74788 347.3456       108.5560 429.1897       75.07631 117.3157 20.07615 132.7794 11.95458 -15.46370      23.36586 
1 1 1 9   16  15 o 69.59941 23.58741 113.8984       93.47494 55.92624       134.0545 168.7596       130.4080 66.61694 27.01368 83.23730 27.85898 -16.62036      38.80544 
1 1 1 9   16  16 o 301.8653 13.64586 2214.952       196.4256 2170.631       266.5506 2267.623       290.5775 296.5836 18.89682 302.4893 20.20886 -5.905640      27.66745 
1 1 1 9   16  17 o 242.0222 13.29912 1424.837       153.2901 1528.563       186.9655 1212.123       267.7421 249.8537 15.73177 217.7459 26.24809 32.10777       30.60149 
1 1 1 9   16  18 o 148.4703 18.22558 549.6209       126.6580 529.1166       186.7598 567.0830       172.3496 141.6607 28.56287 148.2066 25.22686 -6.545990      38.10816 
1 1 1 9   16  19 o 201.1680 14.37417 990.7200       137.3342 1011.579       184.0750 964.5324       206.2510 201.3948 19.35586 195.2088 22.51163 6.186020       29.68877 
1 1 1 9   16  20 o 92.47312 23.73397 223.7233       105.4489 291.2083       136.9990 125.6229       165.1770 104.6847 27.14765 79.61666 30.69330 25.06807       40.97650 
1 1 1 9   16  21 o 62.46316 24.20533 69.62097       103.1184 49.58002       133.5393 99.22137       162.2926 65.06232 26.74086 75.73779 30.05953 -10.67547      40.23243 
1 1 1 9   16  22 o 175.8978 14.94886 762.4426       124.5222 807.1697       156.4665 685.1774       205.6494 179.6365 18.48216 161.0183 27.71384 18.61823       33.31137 
1 1 1 9   16  23 o 372.8049 14.86370 3408.623       264.3903 2691.273       352.8148 4327.420       399.2926 325.6208 22.80770 415.8048 20.14595 -90.18405      30.43108 
1 1 1 9   16  24 o 98.97291 23.59248 258.6052       110.0499 245.6533       127.6674 296.0600       217.1036 95.81113 26.81770 104.6855 35.93722 -8.874321      44.84053 
1 1 1 9   16  25 o 343.6898 15.48113 2918.419       253.7239 2701.955       334.5228 3211.606       389.3182 325.7150 21.60434 353.6190 23.15564 -27.90399      31.66909 
1 1 1 9   16  26 o 292.6249 15.97866 2130.781       222.6942 2157.432       295.0060 2095.474       339.5438 289.9738 21.43107 281.8682 25.47115 8.105530       33.28769 
1 1 1 9   16  27 o 57.24812 25.61416 -30.21798      143.9524 -70.75542      154.7626 229.9200       392.0486 55.97407 25.63970 103.1742 44.28717 -47.20010      51.17370 
1 1 1 9   16  28 o 108.3341 33.02905 345.3141       186.5715 508.2282       274.6719 205.7604       254.2175 125.8808 40.33497 92.45345 37.30462 33.42735       54.94129 
1 1 1 9   16  29 o 92.08324 28.64771 240.8483       139.5003 326.8818       171.7898 74.28056       239.0337 105.1859 31.61463 78.70680 34.18385 26.47908       46.56201 
1 1 1 9   16  30 o 83.23447 28.94410 196.2996       141.0086 296.9474       173.4306 0.2428750E-05  242.2050 98.51096 32.09232 71.96539 32.61838 26.54557       45.75889 
1 1 1 9   16  31 o 119.7965 38.09637 509.3705       245.3925 104.3906       303.5059 1273.889       417.0080 81.72207 36.82636 176.9201 48.06342 -95.19801      60.54976 
1 1 1 9   16  32 o 80.27644 29.62465 191.9229       150.1118 299.6564       182.9441 -30.08225      262.6180 94.96137 32.97139 69.41569 32.35479 25.54568       46.19464 
1 1 1 9   16  33 o 120.1227 34.05444 510.1187       204.5079 581.4691       307.8284 453.7452       273.6201 113.0813 42.29057 103.7045 39.62467 9.376816       57.95349 
1 1 1 9   16  34 o 104.7503 30.09435 379.7897       158.6702 347.5923       195.8824 441.2289       270.5873 94.42300 33.99207 97.65684 38.79611 -3.233841      51.58099 
1 1 1 9   17  0  o 365.6471 6.562104 3205.194       114.7133 2959.846       184.3219 3360.299       146.5540 350.2888 11.02004 374.0887 8.194357 -23.79993      13.73276 
1 1 1 9   17  1  o 100.0396 9.677392 242.9325       45.70754 219.4335       64.63293 266.4421       64.64753 94.02242 14.87268 104.1523 13.28497 -10.12992      19.94209 
1 1 1 9   17  2  o 115.9657 12.71631 328.6752       69.34663 0.000000       0.000000 328.6752       69.34663 ?        ?        115.9657 12.71631 0.000000       12.71631 
1 1 1 9   17  3  o 176.8605 11.07610 756.6784       93.18378 0.000000       0.000000 756.6784       93.18378 ?        ?        176.8605 11.07610 0.000000       11.07610 
1 1 1 9   17  4  o 317.0698 9.373266 2419.301       141.9310 0.000000       0.000000 2419.301       141.9310 ?        ?        317.0698 9.373266 0.000000       9.373266 
1 1 1 9   17  5  o 224.7424 12.13896 1222.731       129.9452 0.000000       0.000000 1222.731       129.9452 ?        ?        224.7424 12.13896 0.000000       12.13896 
1 1 1 9   17  6  o 202.1872 11.14303 988.3074       107.2958 0.000000       0.000000 988.3074       107.2958 ?        ?        202.1872 11.14303 0.000000       11.14303 
1 1 1 9   17  7  o 124.1623 11.87297 375.3573       69.62123 0.000000       0.000000 375.3573       69.62123 ?        ?        124.1623 11.87297 0.000000       11.87297 
1 1 1 9   17  8  o 237.1846 12.05850 1361.777       136.2890 0.000000       0.000000 1361.777       136.2890 ?        ?        237.1846 12.05850 0.000000       12.05850 
1 1 1 9   17  9  o 260.2701 12.48162 1640.838       154.8588 0.000000       0.000000 1640.838       154.8588 ?        ?        260.2701 12.48162 0.000000       12.48162 
1 1 1 9   17  10 o 301.5124 9.432807 2189.318       135.8063 0.000000       0.000000 2189.318       135.8063 ?        ?        301.5124 9.432807 0.000000       9.432807 
1 1 1 9   17  11 o 211.0919 12.69555 1081.751       127.5321 0.000000       0.000000 1081.751       127.5321 ?        ?        211.0919 12.69555 0.000000       12.69555 
1 1 1 9   17  12 o 61.20700 19.71315 90.31396       65.54971 0.000000       0.000000 90.31396       65.54971 ?        ?        61.20700 19.71315 0.000000       19.71315 
1 1 1 9   17  13 o 247.2868 12.86371 1484.684       151.5584 0.000000       0.000000 1484.684       151.5584 ?        ?        247.2868 12.86371 0.000000       12.86371 
1 1 1 9   17  14 o 185.0872 9.388713 826.8633       82.80756 579.3391       156.1999 923.6231       97.66065 151.2368 22.26897 195.4159 10.49171 -44.17917      24.61673 
1 1 1 9   17  15 o 26.75525 12.33270 -28.12543      36.58900 -70.23770      77.45918 -16.03018      41.51222 37.54766 17.52446 30.96804 13.81229 6.579617       22.31336 
1 1 1 9   17  16 o 115.8337 10.77449 326.7859       58.98367 156.2224       107.0107 401.2198       70.69187 78.91706 25.16438 128.2643 11.65518 -49.34722      27.73246 
1 1 1 9   17  17 o 275.3116 12.17381 1840.717       159.8395 1819.886       199.2961 1878.276       267.6049 272.4890 15.36044 274.1981 20.56347 -1.709137      25.66709 
1 1 1 9   17  18 o 387.6986 16.00725 3689.780       296.0630 3832.095       407.4474 3530.586       430.9315 390.7083 21.90042 372.9314 24.30205 17.77692       32.71419 
1 1 1 9   17  19 o 50.08809 20.63190 23.71828       79.72408 14.84940       92.74250 48.82467       156.0403 51.98740 21.89606 68.89000 28.66444 -16.90260      36.07060 
1 1 1 9   17  20 o 67.83915 25.97549 88.74245       117.7464 4.239656       130.1570 469.5389       276.2983 59.03070 25.43038 127.9871 40.39021 -68.95639      47.72916 
1 1 1 9   17  21 o 145.8360 17.98701 533.2891       122.7554 651.4443       158.8403 358.0692       193.4308 159.9935 21.29410 113.9439 33.37376 46.04955       39.58847 
1 1 1 9   17  22 f 236.1660 16.37373 1380.453       183.7282 1263.279       225.0695 1614.495       318.0873 223.2276 21.34903 248.3610 27.23507 -25.13344      34.60535 
1 1 1 9   17  23 o 370.3896 16.37517 3397.424       289.2532 3779.474       400.1556 2979.345       418.5990 385.6134 21.79415 337.8996 26.11459 47.71384       34.01406 
1 1 1 9   17  24 o 171.9688 17.57414 744.9471       142.4588 785.8730       184.3917 684.3469       224.3773 173.8191 22.73317 156.7855 31.03278 17.03355       38.46856 
1 1 1 9   17  25 o 107.4856 25.33639 314.0891       128.0564 375.7678       162.6503 213.5156       207.6964 115.7379 29.35544 91.70905 34.64365 24.02889       45.40841 
1 1 1 9   17  26 o 142.8100 21.31976 533.5218       141.1113 482.0475       177.2811 622.5248       233.1146 130.9922 29.06770 145.4741 34.11280 -14.48192      44.81757 
1 1 1 9   17  27 o 84.24126 28.33738 192.6049       134.9105 56.03783       162.0323 501.2404       243.5855 68.33064 28.86927 126.6766 37.54395 -58.34596      47.36014 
1 1 1 9   17  28 f 62.92392 28.39034 -27.05974      181.0222 -55.80922      269.6353 -3.468581      244.2510 72.72628 33.50700 73.04774 32.96616 -0.3214645     47.00517 
1 1 1 9   17  29 o 52.14724 23.92897 -53.17065      135.6043 -198.3545      160.4104 310.4047       253.8462 47.61016 23.03474 98.06303 37.98399 -50.45287      44.42277 
1 1 1 9   17  30 o 139.5090 24.31278 551.2460       156.2693 610.0757       192.5300 437.6580       267.5261 142.0284 29.32592 108.4883 39.62914 33.54008       49.29988 
1 1 1 9   17  31 o 52.11101 25.76319 -358.1021      235.8599 -464.0132      285.0493 -128.1613      420.0078 55.08580 27.41916 76.69573 37.14671 -21.60994      46.17021 
1 1 1 9   17  32 o 89.35844 29.94797 266.4530       150.6926 336.6929       185.4908 130.1095       258.4329 96.80974 33.21843 75.98482 34.13332 20.82492       47.62927 
1 1 1 9   17  33 o 82.11169 30.29030 236.6453       156.9078 405.1692       189.7720 -127.5192      278.9654 102.8120 33.57534 62.07886 30.11588 40.73311       45.10288 
1 1 1 9   18  0  o 144.3387 8.190473 502.1553       56.28779 366.7038       87.96828 596.0598       73.24489 121.8321 15.44967 157.0332 9.805056 -35.20113      18.29840 
1 1 1 9   18  1  o 106.3818 13.22756 278.1393       65.82637 0.000000       0.000000 278.1393       65.82637 ?        ?        106.3818 13.22756 0.000000       13.22756 
1 1 1 9   18  2  o 196.8444 10.11903 935.7938       94.90968 0.000000       0.000000 935.7938       94.90968 ?        ?        196.8444 10.11903 0.000000       10.11903 
1 1 1 9   18  3  o 81.36172 15.07244 165.8360       56.47039 0.000000       0.000000 165.8360       56.47039 ?        ?        81.36172 15.07244 0.000000       15.07244 
1 1 1 9   18  4  o 120.0106 12.51974 351.9868       70.77767 0.000000       0.000000 351.9868       70.77767 ?        ?        120.0106 12.51974 0.000000       12.51974 
1 1 1 9   18  5  o 400.9803 15.60245 3920.104       298.5346 0.000000       0.000000 3920.104       298.5346 ?        ?        400.9803 15.60245 0.000000       15.60245 
1 1 1 9   18  6  o 315.8142 11.50102 2411.459       173.3607 0.000000       0.000000 2411.459       173.3607 ?        ?        315.8142 11.50102 0.000000       11.50102 
1 1 1 9   18  7  o 224.8381 9.836514 1219.776       105.4793 0.000000       0.000000 1219.776       105.4793 ?        ?        224.8381 9.836514 0.000000       9.836514 
1 1 1 9   18  8  o 165.4637 12.21940 665.6429       95.98116 0.000000       0.000000 665.6429       95.98116 ?        ?        165.4637 12.21940 0.000000       12.21940 
1 1 1 9   18  9  o 180.1419 10.33566 784.8973       88.64098 0.000000       0.000000 784.8973       88.64098 ?        ?        180.1419 10.33566 0.000000       10.33566 
1 1 1 9   18  10 o 91.92145 12.73321 208.4014       54.45721 0.000000       0.000000 208.4014       54.45721 ?        ?        91.92145 12.73321 0.000000       12.73321 
1 1 1 9   18  11 o 150.8826 12.52860 555.0673       89.56084 0.000000       0.000000 555.0673       89.56084 ?        ?        150.8826 12.52860 0.000000       12.52860 
1 1 1 9   18  12 o 132.6921 13.01669 431.0322       81.51465 0.000000       0.000000 431.0322       81.51465 ?        ?        132.6921 13.01669 0.000000       13.01669 
1 1 1 9   18  13 o 136.4639 13.23188 456.2347       85.24505 0.000000       0.000000 456.2347       85.24505 ?        ?        136.4639 13.23188 0.000000       13.23188 
1 1 1 9   18  14 f 178.9427 11.71336 778.4220       99.65743 0.000000       0.000000 778.4220       99.65743 ?        ?        178.9427 11.71336 0.000000       11.71336 
1 1 1 9   18  15 o 118.5977 10.61519 342.5094       59.55253 402.3267       105.4204 314.4741       72.17123 126.6534 17.90913 112.9106 13.64617 13.74275       22.51566 
1 1 1 9   18  16 o 168.1295 10.84299 686.3588       86.69211 1034.963       163.7489 550.5975       102.1880 204.5530 16.89471 149.5620 14.47185 54.99103       22.24558 
1 1 1 9   18  17 o 180.5853 10.08729 789.9913       86.74326 909.4179       148.5322 728.1776       106.8594 191.8176 16.35236 172.5782 13.04812 19.23940       20.92016 
1 1 1 9   18  18 f 194.7695 14.07961 930.0291       130.2202 1102.290       165.4063 649.2077       211.1900 211.1702 16.51493 155.9596 29.40195 55.21065       33.72266 
1 1 1 9   18  19 o 174.0447 14.35371 745.0342       118.3747 662.8452       146.5172 899.5246       200.8779 162.2724 19.26107 187.5605 22.87439 -25.28812      29.90362 
1 1 1 9   18  20 o 231.4168 13.96757 1313.779       153.8146 1339.686       197.9541 1274.303       244.3539 231.7623 18.00661 222.9601 23.26561 8.802200       29.41983 
1 1 1 9   18  21 o 120.7737 25.01070 388.0457       139.6565 653.6217       208.1648 170.6694       188.3297 155.2507 29.11493 86.44586 32.91169 68.80487       43.94154 
1 1 1 9   18  22 o 155.2655 23.70285 632.8525       170.3802 560.5693       203.3115 803.3642       312.2625 141.7203 30.88169 162.6932 40.34519 -20.97287      50.80761 
1 1 1 9   18  23 o 178.0165 18.33856 803.4517       153.8446 848.9112       212.2213 753.1028       223.3428 178.4534 25.60726 165.3615 29.32436 13.09192       38.93135 
1 1 1 9   18  24 o 54.23197 25.48751 -133.7585      168.6955 26.41809       195.9392 -592.6194      331.6366 70.83814 30.85566 61.15416 30.29061 9.683979       43.23879 
1 1 1 9   18  25 o 72.07503 25.23746 130.3908       107.3105 215.8243       125.3702 -103.7308      207.5396 88.46470 27.09531 62.67740 29.05978 25.78730       39.73193 
1 1 1 9   18  26 o 193.2400 17.60188 953.1497       160.8334 1017.647       206.5821 853.8929       256.2719 195.9638 22.45510 170.5880 32.61102 25.37575       39.59432 
1 1 1 9   18  27 o 200.8416 20.14102 1061.986       190.7871 1007.763       215.3738 1259.629       411.1897 192.0676 23.97541 185.0499 46.53160 7.017700       52.34511 
1 1 1 9   18  28 o 75.60448 28.46982 153.1712       140.0157 223.6174       167.9796 -7.178247      253.4322 86.46756 31.42986 71.43893 32.75594 15.02863       45.39589 
1 1 1 9   18  29 o 88.55676 33.51638 248.5217       194.6139 578.3368       285.6596 -37.15189      265.8573 121.8341 41.23455 69.86506 32.56073 51.96900       52.54036 
1 1 1 9   18  30 o 81.11665 29.56268 203.3135       148.7514 163.8523       178.2635 293.7878       269.9228 76.67769 31.12997 90.83519 37.74000 -14.15750      48.92221 
1 1 1 9   18  31 o 142.6854 27.85604 640.5612       183.2020 619.8824       200.4250 745.6042       451.7239 135.3907 31.55051 107.8103 46.90646 27.58047       56.53008 
1 1 1 9   18  32 o 54.90964 25.05412 0.3428209      145.8933 -71.57016      174.7301 165.8956       265.1138 53.76406 25.47005 75.17967 34.09548 -21.41562      42.55849 
1 1 1 9   19  0  o 62.67606 13.53792 98.88683       39.37832 69.42898       49.44144 149.9930       65.12193 53.67697 17.10356 76.70493 18.05925 -23.02795      24.87304 
1 1 1 9   19  1  o 127.5223 13.09115 398.2151       78.68071 0.000000       0.000000 398.2151       78.68071 ?        ?        127.5223 13.09115 0.000000       13.09115 
1 1 1 9   19  2  o 181.0722 10.72069 793.9899       92.39211 0.000000       0.000000 793.9899       92.39211 ?        ?        181.0722 10.72069 0.000000       10.72069 
1 1 1 9   19  3  o 89.26582 13.48083 197.5173       55.74088 0.000000       0.000000 197.5173       55.74088 ?        ?        89.26582 13.48083 0.000000       13.48083 
1 1 1 9   19  4  o 75.89644 14.64640 144.7284       51.21958 0.000000       0.000000 144.7284       51.21958 ?        ?        75.89644 14.64640 0.000000       14.64640 
1 1 1 9   19  5  o 76.12328 18.25283 147.9740       65.56861 0.000000       0.000000 147.9740       65.56861 ?        ?        76.12328 18.25283 0.000000       18.25283 
1 1 1 9   19  6  o 135.0953 11.31372 444.0904       72.40204 0.000000       0.000000 444.0904       72.40204 ?        ?        135.0953 11.31372 0.000000       11.31372 
1 1 1 9   19  7  o 354.9419 9.649577 3038.390       163.5953 0.000000       0.000000 3038.390       163.5953 ?        ?        354.9419 9.649577 0.000000       9.649577 
1 1 1 9   19  8  o 180.5624 11.46465 791.5313       98.45730 0.000000       0.000000 791.5313       98.45730 ?        ?        180.5624 11.46465 0.000000       11.46465 
1 1 1 9   19  9  o 175.4118 10.77242 745.9543       89.90436 0.000000       0.000000 745.9543       89.90436 ?        ?        175.4118 10.77242 0.000000       10.77242 
1 1 1 9   19  10 o 205.0193 11.20904 1019.323       109.4501 0.000000       0.000000 1019.323       109.4501 ?        ?        205.0193 11.20904 0.000000       11.20904 
1 1 1 9   19  11 o 111.9126 13.57781 308.7567       71.16265 0.000000       0.000000 308.7567       71.16265 ?        ?        111.9126 13.57781 0.000000       13.57781 
1 1 1 9   19  12 o 74.21707 19.69169 141.3471       71.01519 0.000000       0.000000 141.3471       71.01519 ?        ?        74.21707 19.69169 0.000000       19.69169 
1 1 1 9   19  13 o 171.7580 14.23166 723.6196       115.8159 0.000000       0.000000 723.6196       115.8159 ?        ?        171.7580 14.23166 0.000000       14.23166 
1 1 1 9   19  14 o 325.8699 9.923729 2565.566       154.4262 0.000000       0.000000 2565.566       154.4262 ?        ?        325.8699 9.923729 0.000000       9.923729 
1 1 1 9   19  15 o 298.7482 10.04776 2158.026       143.3060 0.000000       0.000000 2158.026       143.3060 ?        ?        298.7482 10.04776 0.000000       10.04776 
1 1 1 9   19  16 o 195.6132 10.10812 927.1371       94.21098 1032.732       159.9029 870.9928       116.5971 204.2653 16.51464 188.7498 13.00030 15.51547       21.01764 
1 1 1 9   19  17 o 186.1668 10.03743 840.4136       89.00703 826.3986       152.5329 847.6496       109.6019 181.8935 17.76660 186.2865 12.37651 -4.393005      21.65248 
1 1 1 9   19  18 o 54.34599 20.27726 59.36758       70.68584 113.3033       161.1364 46.51547       78.65800 76.62097 30.09409 53.48045 21.01973 23.14053       36.70808 
1 1 1 9   19  19 o 170.8055 25.05492 768.4041       198.5193 669.9826       263.5905 897.3956       301.7626 151.5393 36.76296 175.9035 37.05437 -24.36414      52.19714 
1 1 1 9   19  20 o 40.07588 19.68260 -243.2552      130.2070 -120.7635      210.5764 -319.0791      165.6759 63.00320 29.23181 44.43292 21.89655 18.57028       36.52338 
1 1 1 9   19  21 o 76.67136 27.20884 145.8295       125.0453 153.9515       137.1585 105.8443       304.3271 78.92741 28.44013 89.55880 38.73495 -10.63139      48.05453 
1 1 1 9   19  22 o 191.6618 16.09948 920.8999       146.1594 1007.610       188.7488 791.0338       230.9923 197.9636 20.22697 168.5898 29.74573 29.37376       35.97136 
1 1 1 9   19  23 o 116.8685 27.34263 380.7899       150.0431 483.0676       222.0574 294.8622       203.5363 126.4805 35.35602 100.8674 34.78966 25.61311       49.60210 
1 1 1 9   19  24 o 74.21037 28.32058 129.1633       139.6619 106.6215       197.6310 151.6507       197.3927 77.36016 32.22960 82.02354 32.95045 -4.663376      46.09208 
1 1 1 9   19  25 o 93.22826 29.96105 256.1707       151.4726 337.6631       208.4236 164.9470       220.5168 103.4533 35.21925 83.60967 34.36338 19.84359       49.20607 
1 1 1 9   19  26 o 98.69588 25.09529 279.7581       118.6597 305.9674       138.7048 208.2259       229.1477 101.5278 27.77665 86.68913 35.25740 14.83868       44.88460 
1 1 1 9   19  27 o 63.24589 25.05190 87.57852       112.5138 132.5549       128.4639 -60.55506      233.1395 71.40558 27.18284 65.50520 30.51631 5.900375       40.86749 
1 1 1 9   19  28 o 84.35616 29.03678 219.2409       141.7633 152.7729       168.0727 383.1102       263.9001 75.60735 30.39385 100.7132 38.80407 -25.10582      49.29039 
1 1 1 9   19  29 o 46.99310 23.18416 -281.2363      187.5135 -465.7828      274.4080 -119.5732      256.8320 52.69925 26.33589 62.50649 29.96092 -9.807236      39.89030 
1 1 1 9   19  30 o 65.26763 28.22643 90.96303       161.5748 34.56838       172.2446 504.3128       466.3215 61.27883 27.66659 92.51137 43.11784 -31.23254      51.23074 
1 1 1 9   20  0  o 123.7705 11.89855 374.5138       69.54117 0.000000       0.000000 374.5138       69.54117 ?        ?        123.7705 11.89855 0.000000       11.89855 
1 1 1 9   20  1  o 162.1388 11.72833 639.8087       90.29970 0.000000       0.000000 639.8087       90.29970 ?        ?        162.1388 11.72833 0.000000       11.72833 
1 1 1 9   20  2  o 315.6659 12.21686 2418.646       184.0242 0.000000       0.000000 2418.646       184.0242 ?        ?        315.6659 12.21686 0.000000       12.21686 
1 1 1 9   20  3  o 304.3442 9.915390 2236.654       144.0798 0.000000       0.000000 2236.654       144.0798 ?        ?        304.3442 9.915390 0.000000       9.915390 
1 1 1 9   20  4  o 82.52393 14.95836 170.9823       56.84381 0.000000       0.000000 170.9823       56.84381 ?        ?        82.52393 14.95836 0.000000       14.95836 
1 1 1 9   20  5  o 242.0336 10.19137 1416.275       117.6640 0.000000       0.000000 1416.275       117.6640 ?        ?        242.0336 10.19137 0.000000       10.19137 
1 1 1 9   20  6  o 211.2098 12.07487 1084.321       121.4203 0.000000       0.000000 1084.321       121.4203 ?        ?        211.2098 12.07487 0.000000       12.07487 
1 1 1 9   20  7  o 132.6428 13.94356 432.7693       87.10242 0.000000       0.000000 432.7693       87.10242 ?        ?        132.6428 13.94356 0.000000       13.94356 
1 1 1 9   20  8  o 140.2668 11.99879 480.1814       79.69178 0.000000       0.000000 480.1814       79.69178 ?        ?        140.2668 11.99879 0.000000       11.99879 
1 1 1 9   20  9  o 342.0547 12.94989 2847.101       211.3902 0.000000       0.000000 2847.101       211.3902 ?        ?        342.0547 12.94989 0.000000       12.94989 
1 1 1 9   20  10 o 267.1953 9.882926 1725.871       126.0299 0.000000       0.000000 1725.871       126.0299 ?        ?        267.1953 9.882926 0.000000       9.882926 
1 1 1 9   20  11 o 94.59962 15.21270 224.2087       66.47018 0.000000       0.000000 224.2087       66.47018 ?        ?        94.59962 15.21270 0.000000       15.21270 
1 1 1 9   20  12 o 101.9117 13.45743 257.2982       63.96745 0.000000       0.000000 257.2982       63.96745 ?        ?        101.9117 13.45743 0.000000       13.45743 
1 1 1 9   20  13 o 167.2215 12.74494 684.7612       101.1240 0.000000       0.000000 684.7612       101.1240 ?        ?        167.2215 12.74494 0.000000       12.74494 
1 1 1 9   20  14 o 105.2030 13.58117 274.7314       66.71618 0.000000       0.000000 274.7314       66.71618 ?        ?        105.2030 13.58117 0.000000       13.58117 
1 1 1 9   20  15 o 100.7363 18.01310 259.4292       83.56792 0.000000       0.000000 259.4292       83.56792 ?        ?        100.7363 18.01310 0.000000       18.01310 
1 1 1 9   20  16 o 104.6027 20.71361 284.9362       99.92157 0.000000       0.000000 284.9362       99.92157 ?        ?        104.6027 20.71361 0.000000       20.71361 
1 1 1 9   20  17 o 200.0815 12.52866 981.8965       119.2435 0.000000       0.000000 981.8965       119.2435 ?        ?        200.0815 12.52866 0.000000       12.52866 
1 1 1 9   20  18 o 127.1167 14.75901 403.6935       88.02955 326.1132       182.3942 427.2524       100.5107 106.9503 32.66705 130.1302 16.52807 -23.17988      36.61029 
1 1 1 9   20  19 o 178.7048 11.60610 782.6624       98.62229 872.7380       208.2053 756.6056       111.9820 181.4189 24.64134 174.9395 13.49332 6.479462       28.09387 
1 1 1 9   20  20 o 125.3198 14.23161 392.4714       83.75891 275.1581       190.3567 420.6375       93.27348 98.53196 33.65581 129.3312 15.38632 -30.79922      37.00611 
1 1 1 9   20  21 o 42.82643 20.11423 -91.65177      104.7695 -90.52619      127.0053 -94.04909      185.3520 48.30038 22.50867 59.49679 27.54239 -11.19641      35.56998 
1 1 1 9   20  22 o 123.1127 25.00297 418.9260       142.1355 428.8089       157.3140 374.9986       331.6602 122.9355 27.45973 107.7971 42.91027 15.13845       50.94437 
1 1 1 9   20  23 o 158.7378 18.55918 656.8888       138.1916 751.1071       175.8730 504.8503       223.4129 166.6459 22.66137 125.2052 35.62663 41.44070       42.22314 
1 1 1 9   20  24 o 64.83118 25.58942 91.46433       117.0146 145.1671       142.0285 -22.01657      206.4614 74.79742 28.55590 65.44076 29.83819 9.356659       41.30081 
1 1 1 9   20  25 o 164.8424 19.46437 724.6946       150.4423 784.8203       164.5850 419.2600       370.9535 170.5835 20.59762 103.6284 43.72655 66.95518       48.33501 
1 1 1 9   20  26 o 149.6656 24.05206 637.7042       166.2712 719.5019       222.4466 534.1436       250.2953 150.3087 31.94104 119.7871 38.51545 30.52159       50.03669 
1 1 1 9   20  27 o 114.2054 23.48694 380.2466       123.9552 379.7178       143.9465 381.7636       243.8134 110.4049 27.40069 98.64576 37.47300 11.75917       46.42223 
1 1 1 9   20  28 o 72.42795 26.92209 160.1668       124.3766 366.6159       141.8432 -526.6554      258.7164 106.6302 27.60894 48.69610 24.50617 57.93409       36.91620 
1 1 1 9   21  0  o 229.5807 12.58289 1287.309       137.5816 0.000000       0.000000 1287.309       137.5816 ?        ?        229.5807 12.58289 0.000000       12.58289 
1 1 1 9   21  1  o 125.8623 12.67662 389.5447       75.24142 0.000000       0.000000 389.5447       75.24142 ?        ?        125.8623 12.67662 0.000000       12.67662 
1 1 1 9   21  2  o 40.14992 16.31115 17.57854       48.97926 0.000000       0.000000 17.57854       48.97926 ?        ?        40.14992 16.31115 0.000000       16.31115 
1 1 1 9   21  3  o 185.3207 13.79635 843.6043       121.3583 0.000000       0.000000 843.6043       121.3583 ?        ?        185.3207 13.79635 0.000000       13.79635 
1 1 1 9   21  4  o 106.3725 16.51592 285.0367       81.26967 0.000000       0.000000 285.0367       81.26967 ?        ?        106.3725 16.51592 0.000000       16.51592 
1 1 1 9   21  5  o 253.7995 11.72233 1567.967       141.8529 0.000000       0.000000 1567.967       141.8529 ?        ?        253.7995 11.72233 0.000000       11.72233 
1 1 1 9   21  6  o 315.8839 12.26567 2431.497       184.8848 0.000000       0.000000 2431.497       184.8848 ?        ?        315.8839 12.26567 0.000000       12.26567 
1 1 1 9   21  7  o 44.66474 16.90476 36.76970       49.50888 0.000000       0.000000 36.76970       49.50888 ?        ?        44.66474 16.90476 0.000000       16.90476 
1 1 1 9   21  8  o 51.16169 20.88926 30.03089       80.81569 0.000000       0.000000 30.03089       80.81569 ?        ?        51.16169 20.88926 0.000000       20.88926 
1 1 1 9   21  9  o 264.9663 12.76018 1716.292       161.1674 0.000000       0.000000 1716.292       161.1674 ?        ?        264.9663 12.76018 0.000000       12.76018 
1 1 1 9   21  10 o 235.3228 10.95247 1346.942       122.8829 0.000000       0.000000 1346.942       122.8829 ?        ?        235.3228 10.95247 0.000000       10.95247 
1 1 1 9   21  11 o 93.83070 20.19242 229.3052       87.89553 0.000000       0.000000 229.3052       87.89553 ?        ?        93.83070 20.19242 0.000000       20.19242 
1 1 1 9   21  12 o 100.8155 17.08401 258.7440       79.40547 0.000000       0.000000 258.7440       79.40547 ?        ?        100.8155 17.08401 0.000000       17.08401 
1 1 1 9   21  13 o 353.1706 15.57072 3089.115       262.2605 0.000000       0.000000 3089.115       262.2605 ?        ?        353.1706 15.57072 0.000000       15.57072 
1 1 1 9   21  14 o 79.55991 23.08111 167.4024       92.91141 0.000000       0.000000 167.4024       92.91141 ?        ?        79.55991 23.08111 0.000000       23.08111 
1 1 1 9   21  15 o 356.2558 10.64525 3088.386       181.1084 0.000000       0.000000 3088.386       181.1084 ?        ?        356.2558 10.64525 0.000000       10.64525 
1 1 1 9   21  16 o 195.0486 13.56951 939.9913       125.7473 0.000000       0.000000 939.9913       125.7473 ?        ?        195.0486 13.56951 0.000000       13.56951 
1 1 1 9   21  17 o 84.21804 19.39104 186.6980       76.46039 0.000000       0.000000 186.6980       76.46039 ?        ?        84.21804 19.39104 0.000000       19.39104 
1 1 1 9   21  18 o 47.07630 19.30551 25.95998       69.40349 0.000000       0.000000 25.95998       69.40349 ?        ?        47.07630 19.30551 0.000000       19.30551 
1 1 1 9   21  19 o 142.6485 12.58038 505.6508       84.91819 914.6023       194.4931 409.3305       94.39030 185.3914 22.39692 126.7755 15.92383 58.61592       27.48072 
1 1 1 9   21  20 o 98.77544 15.67112 251.0436       71.53626 372.5822       185.7953 229.8901       77.51205 109.8612 32.84546 93.42204 18.00733 16.43921       37.45782 
1 1 1 9   21  21 o 81.27083 18.55035 177.0467       70.48389 263.0293       185.7092 162.5765       76.18433 92.75409 33.13268 77.20356 20.35459 15.55053       38.88552 
1 1 1 9   21  22 o 106.0648 16.08633 292.2625       79.01501 14.53615       199.8636 343.7119       86.02306 67.09938 30.08945 115.1850 16.05690 -48.08566      34.10570 
1 1 1 9   21  23 o 98.49964 25.77262 285.0745       122.7443 171.2350       149.8459 517.2367       213.9903 78.09499 29.44254 124.5635 34.66654 -46.46851      45.48222 
1 1 1 9   21  24 o 61.14404 26.16498 53.45430       136.0660 34.08559       146.8511 170.9762       361.7314 60.57971 26.54261 85.47623 39.17048 -24.89652      47.31635 
1 1 1 9   21  25 o 59.52618 25.11027 62.30049       122.2736 71.64912       147.2488 41.53653       219.4485 63.45726 27.18829 67.88000 30.87738 -4.422741      41.14141 
1 1 1 9   21  26 o 46.55659 21.84780 -66.91648      123.1590 -84.50806      145.3856 -22.21252      231.7619 49.30187 23.31960 63.76043 29.93679 -14.45855      37.94753 
1 1 1 9   22  0  o 99.38037 20.95128 260.1077       96.40344 0.000000       0.000000 260.1077       96.40344 ?        ?        99.38037 20.95128 0.000000       20.95128 
1 1 1 9   22  1  o 237.6341 13.53967 1391.009       153.1878 0.000000       0.000000 1391.009       153.1878 ?        ?        237.6341 13.53967 0.000000       13.53967 
1 1 1 9   22  2  o 74.49169 20.57092 145.3642       75.67278 0.000000       0.000000 145.3642       75.67278 ?        ?        74.49169 20.57092 0.000000       20.57092 
1 1 1 9   22  3  o 302.6734 13.06004 2247.260       188.5401 0.000000       0.000000 2247.260       188.5401 ?        ?        302.6734 13.06004 0.000000       13.06004 
1 1 1 9   22  4  o 135.0600 16.40033 458.4668       103.7303 0.000000       0.000000 458.4668       103.7303 ?        ?        135.0600 16.40033 0.000000       16.40033 
1 1 1 9   22  5  o 126.9071 18.96373 411.9782       111.5347 0.000000       0.000000 411.9782       111.5347 ?        ?        126.9071 18.96373 0.000000       18.96373 
1 1 1 9   22  6  o 128.5527 15.36670 413.4915       92.57462 0.000000       0.000000 413.4915       92.57462 ?        ?        128.5527 15.36670 0.000000       15.36670 
1 1 1 9   22  7  o 48.41482 17.76763 48.67223       53.87296 0.000000       0.000000 48.67223       53.87296 ?        ?        48.41482 17.76763 0.000000       17.76763 
1 1 1 9   22  8  o 126.6876 15.85905 403.2726       93.95628 0.000000       0.000000 403.2726       93.95628 ?        ?        126.6876 15.85905 0.000000       15.85905 
1 1 1 9   22  9  o 226.6368 12.84888 1262.159       138.6504 0.000000       0.000000 1262.159       138.6504 ?        ?        226.6368 12.84888 0.000000       12.84888 
1 1 1 9   22  10 o 258.1277 14.78463 1651.818       181.6909 0.000000       0.000000 1651.818       181.6909 ?        ?        258.1277 14.78463 0.000000       14.78463 
1 1 1 9   22  11 o 115.7758 16.87648 341.1428       90.66661 0.000000       0.000000 341.1428       90.66661 ?        ?        115.7758 16.87648 0.000000       16.87648 
1 1 1 9   22  12 o 77.88865 21.14466 161.3833       80.74211 0.000000       0.000000 161.3833       80.74211 ?        ?        77.88865 21.14466 0.000000       21.14466 
1 1 1 9   22  13 o 161.8125 15.20204 657.0003       116.2265 0.000000       0.000000 657.0003       116.2265 ?        ?        161.8125 15.20204 0.000000       15.20204 
1 1 1 9   22  14 o 78.79965 18.79315 164.2502       69.80228 0.000000       0.000000 164.2502       69.80228 ?        ?        78.79965 18.79315 0.000000       18.79315 
1 1 1 9   22  15 o 198.0194 13.61149 976.9418       128.0773 0.000000       0.000000 976.9418       128.0773 ?        ?        198.0194 13.61149 0.000000       13.61149 
1 1 1 9   22  16 o 191.5921 14.69997 923.5578       133.6203 0.000000       0.000000 923.5578       133.6203 ?        ?        191.5921 14.69997 0.000000       14.69997 
1 1 1 9   22  17 o 77.45663 25.03572 166.0386       105.6645 0.000000       0.000000 166.0386       105.6645 ?        ?        77.45663 25.03572 0.000000       25.03572 
1 1 1 9   22  18 o 52.60757 22.60191 17.78866       102.2837 0.000000       0.000000 17.78866       102.2837 ?        ?        52.60757 22.60191 0.000000       22.60191 
1 1 1 9   22  19 o 117.2712 20.55241 371.9851       111.0311 0.000000       0.000000 371.9851       111.0311 ?        ?        117.2712 20.55241 0.000000       20.55241 
1 1 1 9   22  20 o 69.10242 23.64175 129.8291       93.93871 126.6539       217.7999 130.5548       104.1212 77.44300 33.12074 69.69462 24.81845 7.748383       41.38766 
1 1 1 9   22  21 o 89.41773 22.80766 229.3603       97.79745 248.2629       315.6326 227.3529       102.8595 89.28378 39.02098 88.42228 23.80663 0.8614960      45.70987 
1 1 1 9   22  22 o 82.69283 24.96686 205.5196       106.9637 103.6718       317.2688 218.5805       113.6154 78.58652 36.25699 84.74870 25.76183 -6.162178      44.47742 
1 1 1 9   22  23 o 178.7121 13.62894 820.7029       115.5676 1365.211       340.6224 749.8687       122.8549 191.3099 38.57471 169.2261 15.35194 22.08372       41.51735 
1 1 1 9   23  0  o 48.53149 20.41675 19.06042       80.48572 0.000000       0.000000 19.06042       80.48572 ?        ?        48.53149 20.41675 0.000000       20.41675 
1 1 1 9   23  1  o 51.54137 22.77667 -11.55963      110.2992 0.000000       0.000000 -11.55963      110.2992 ?        ?        51.54137 22.77667 0.000000       22.77667 
1 1 1 9   23  2  o 204.4280 12.13349 1031.213       118.0528 0.000000       0.000000 1031.213       118.0528 ?        ?        204.4280 12.13349 0.000000       12.13349 
1 1 1 9   23  3  o 80.79114 16.50246 169.5670       61.58454 0.000000       0.000000 169.5670       61.58454 ?        ?        80.79114 16.50246 0.000000       16.50246 
1 1 1 9   23  4  o 81.26109 16.65881 171.7493       62.54414 0.000000       0.000000 171.7493       62.54414 ?        ?        81.26109 16.65881 0.000000       16.65881 
1 1 1 9   23  5  o 63.73368 24.67688 84.62325       107.1075 0.000000       0.000000 84.62325       107.1075 ?        ?        63.73368 24.67688 0.000000       24.67688 
1 1 1 9   23  6  o 125.1319 17.99008 404.9410       104.5344 0.000000       0.000000 404.9410       104.5344 ?        ?        125.1319 17.99008 0.000000       17.99008 
1 1 1 9   23  7  o 124.4282 16.15456 395.0686       93.83339 0.000000       0.000000 395.0686       93.83339 ?        ?        124.4282 16.15456 0.000000       16.15456 
1 1 1 9   23  8  o 70.97334 31.24294 30.39137       205.6529 0.000000       0.000000 30.39137       205.6529 ?        ?        70.97334 31.24294 0.000000       31.24294 
1 1 1 9   23  9  o 228.4611 10.94956 1281.935       119.2481 0.000000       0.000000 1281.935       119.2481 ?        ?        228.4611 10.94956 0.000000       10.94956 
1 1 1 9   23  10 o 64.78772 18.64635 110.8462       60.86214 0.000000       0.000000 110.8462       60.86214 ?        ?        64.78772 18.64635 0.000000       18.64635 
1 1 1 9   23  11 o 72.47047 17.62015 139.0647       60.44922 0.000000       0.000000 139.0647       60.44922 ?        ?        72.47047 17.62015 0.000000       17.62015 
1 1 1 9   23  12 o 177.0588 14.33341 788.8804       120.2955 0.000000       0.000000 788.8804       120.2955 ?        ?        177.0588 14.33341 0.000000       14.33341 
1 1 1 9   23  13 o 104.6862 18.25179 288.7922       88.02942 0.000000       0.000000 288.7922       88.02942 ?        ?        104.6862 18.25179 0.000000       18.25179 
1 1 1 9   23  14 o 67.03869 23.13360 117.6051       90.00108 0.000000       0.000000 117.6051       90.00108 ?        ?        67.03869 23.13360 0.000000       23.13360 
1 1 1 9   23  15 o 219.0380 13.64555 1206.184       142.1859 0.000000       0.000000 1206.184       142.1859 ?        ?        219.0380 13.64555 0.000000       13.64555 
1 1 1 9   23  16 o 146.6302 15.61350 553.5250       107.7727 0.000000       0.000000 553.5250       107.7727 ?        ?        146.6302 15.61350 0.000000       15.61350 
1 1 1 9   23  17 o 36.84511 16.63414 -22.13412      62.25343 0.000000       0.000000 -22.13412      62.25343 ?        ?        36.84511 16.63414 0.000000       16.63414 
1 1 1 9   23  18 o 52.46515 20.26579 59.43835       72.11176 0.000000       0.000000 59.43835       72.11176 ?        ?        52.46515 20.26579 0.000000       20.26579 
1 1 1 9   23  19 o 65.42016 22.04101 119.4782       81.61751 0.000000       0.000000 119.4782       81.61751 ?        ?        65.42016 22.04101 0.000000       22.04101 
1 1 1 9   23  20 o 120.3887 17.09313 389.1367       95.61988 0.000000       0.000000 389.1367       95.61988 ?        ?        120.3887 17.09313 0.000000       17.09313 
1 1 1 9   24  0  o 84.70837 26.81300 210.7005       121.6801 0.000000       0.000000 210.7005       121.6801 ?        ?        84.70837 26.81300 0.000000       26.81300 
1 1 1 9   24  1  o 51.97984 22.53501 13.47324       103.4954 0.000000       0.000000 13.47324       103.4954 ?        ?        51.97984 22.53501 0.000000       22.53501 
1 1 1 9   24  2  o 40.65302 17.15838 11.72854       57.14407 0.000000       0.000000 11.72854       57.14407 ?        ?        40.65302 17.15838 0.000000       17.15838 
1 1 1 9   24  3  o 104.7524 16.26781 285.7693       78.82886 0.000000       0.000000 285.7693       78.82886 ?        ?        104.7524 16.26781 0.000000       16.26781 
1 1 1 9   24  4  o 64.17189 27.67987 47.28407       154.5770 0.000000       0.000000 47.28407       154.5770 ?        ?        64.17189 27.67987 0.000000       27.67987 
1 1 1 9   24  5  o 46.09066 22.34335 -195.0312      152.8258 0.000000       0.000000 -195.0312      152.8258 ?        ?        46.09066 22.34335 0.000000       22.34335 
1 1 1 9   24  6  o 100.7472 19.61962 274.1846       91.10040 0.000000       0.000000 274.1846       91.10040 ?        ?        100.7472 19.61962 0.000000       19.61962 
1 1 1 9   24  7  o 147.0437 18.64644 571.5613       128.1410 0.000000       0.000000 571.5613       128.1410 ?        ?        147.0437 18.64644 0.000000       18.64644 
1 1 1 9   24  8  o 53.17511 21.33808 50.40938       82.68315 0.000000       0.000000 50.40938       82.68315 ?        ?        53.17511 21.33808 0.000000       21.33808 
1 1 1 9   24  9  o 54.40114 26.33648 -220.6538      210.5052 0.000000       0.000000 -220.6538      210.5052 ?        ?        54.40114 26.33648 0.000000       26.33648 
1 1 1 9   24  10 o 54.24866 19.69986 70.39278       65.97152 0.000000       0.000000 70.39278       65.97152 ?        ?        54.24866 19.69986 0.000000       19.69986 
1 1 1 9   24  11 o 107.8585 16.05352 304.2494       80.26225 0.000000       0.000000 304.2494       80.26225 ?        ?        107.8585 16.05352 0.000000       16.05352 
1 1 1 9   24  12 o 24.97288 12.11440 -70.88712      45.12751 0.000000       0.000000 -70.88712      45.12751 ?        ?        24.97288 12.11440 0.000000       12.11440 
1 1 1 9   24  13 o 107.1761 15.09535 299.1445       75.20806 0.000000       0.000000 299.1445       75.20806 ?        ?        107.1761 15.09535 0.000000       15.09535 
1 1 1 9   24  14 o 44.76332 17.10733 41.43316       51.00835 0.000000       0.000000 41.43316       51.00835 ?        ?        44.76332 17.10733 0.000000       17.10733 
1 1 1 10  -14 0  o 173.1830 14.38787 775.3724       118.0521 775.3724       118.0521 0.000000       0.000000 173.1830 14.38787 ?        ?        0.000000       14.38787 
1 1 1 10  -14 1  o 184.9010 14.52315 884.0243       127.3536 884.0243       127.3536 0.000000       0.000000 184.9010 14.52315 ?        ?        0.000000       14.52315 
1 1 1 10  -14 2  o 64.09634 25.01300 104.8084       110.7197 104.8084       110.7197 0.000000       0.000000 64.09634 25.01300 ?        ?        0.000000       25.01300 
1 1 1 10  -14 3  o 73.40640 27.05656 160.0066       125.1498 160.0066       125.1498 0.000000       0.000000 73.40640 27.05656 ?        ?        0.000000       27.05656 
1 1 1 10  -14 4  o 90.17567 27.76333 259.9102       131.4157 259.9102       131.4157 0.000000       0.000000 90.17567 27.76333 ?        ?        0.000000       27.76333 
1 1 1 10  -14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -14 6  o 158.5940 28.22718 787.1307       206.1783 787.1307       206.1783 0.000000       0.000000 158.5940 28.22718 ?        ?        0.000000       28.22718 
1 1 1 10  -14 7  o 71.80795 24.56321 153.8367       101.4031 153.8367       101.4031 0.000000       0.000000 71.80795 24.56321 ?        ?        0.000000       24.56321 
1 1 1 10  -14 8  o 94.61228 28.72410 296.3681       141.3065 296.3681       141.3065 0.000000       0.000000 94.61228 28.72410 ?        ?        0.000000       28.72410 
1 1 1 10  -13 0  o 134.6772 16.21861 469.9432       102.3283 469.9432       102.3283 0.000000       0.000000 134.6772 16.21861 ?        ?        0.000000       16.21861 
1 1 1 10  -13 1  o 186.5287 13.56511 877.2178       120.1431 877.2178       120.1431 0.000000       0.000000 186.5287 13.56511 ?        ?        0.000000       13.56511 
1 1 1 10  -13 2  o 50.77300 20.92467 36.18327       82.05794 36.18327       82.05794 0.000000       0.000000 50.77300 20.92467 ?        ?        0.000000       20.92467 
1 1 1 10  -13 3  o 137.2923 15.44169 484.3376       99.60053 484.3376       99.60053 0.000000       0.000000 137.2923 15.44169 ?        ?        0.000000       15.44169 
1 1 1 10  -13 4  o 58.22014 23.58790 61.69040       102.1063 61.69040       102.1063 0.000000       0.000000 58.22014 23.58790 ?        ?        0.000000       23.58790 
1 1 1 10  -13 5  f 155.2790 28.36802 711.5216       202.8382 711.5216       202.8382 0.000000       0.000000 155.2790 28.36802 ?        ?        0.000000       28.36802 
1 1 1 10  -13 6  o 52.14690 21.10132 45.41774       81.59908 45.41774       81.59908 0.000000       0.000000 52.14690 21.10132 ?        ?        0.000000       21.10132 
1 1 1 10  -13 7  o 102.7028 26.25047 310.4606       129.3650 310.4606       129.3650 0.000000       0.000000 102.7028 26.25047 ?        ?        0.000000       26.25047 
1 1 1 10  -13 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -13 9  o 83.24828 28.47524 208.1372       136.2746 208.1372       136.2746 0.000000       0.000000 83.24828 28.47524 ?        ?        0.000000       28.47524 
1 1 1 10  -13 10 o 167.1061 17.45732 735.7505       137.4142 735.7505       137.4142 0.000000       0.000000 167.1061 17.45732 ?        ?        0.000000       17.45732 
1 1 1 10  -13 11 o 74.47137 17.34173 150.4864       60.58716 125.6418       103.4901 163.4421       74.73287 67.80174 24.66605 76.35219 20.17375 -8.550446      31.86525 
1 1 1 10  -13 12 o 39.76031 17.00676 8.722695       57.43787 -6.645893      107.1834 14.91412       68.03084 49.48771 22.12491 43.58472 18.57172 5.902988       28.88634 
1 1 1 10  -13 13 o 77.95851 17.33810 166.1049       62.95081 212.9677       158.7269 157.3581       68.57445 81.24310 30.37106 74.95621 19.08747 6.286880       35.87106 
1 1 1 10  -12 0  o 51.55328 20.82608 39.10275       79.33453 39.10275       79.33453 0.000000       0.000000 51.55328 20.82608 ?        ?        0.000000       20.82608 
1 1 1 10  -12 1  o 167.3225 13.13917 695.1412       104.2642 695.1412       104.2642 0.000000       0.000000 167.3225 13.13917 ?        ?        0.000000       13.13917 
1 1 1 10  -12 2  o 141.7290 14.08712 502.6241       94.19074 502.6241       94.19074 0.000000       0.000000 141.7290 14.08712 ?        ?        0.000000       14.08712 
1 1 1 10  -12 3  o 88.95576 19.74072 210.0433       81.76106 210.0433       81.76106 0.000000       0.000000 88.95576 19.74072 ?        ?        0.000000       19.74072 
1 1 1 10  -12 4  o 61.72197 23.06026 84.73219       91.48150 84.73219       91.48150 0.000000       0.000000 61.72197 23.06026 ?        ?        0.000000       23.06026 
1 1 1 10  -12 5  o 125.1450 27.17313 440.4768       157.9088 440.4768       157.9088 0.000000       0.000000 125.1450 27.17313 ?        ?        0.000000       27.17313 
1 1 1 10  -12 6  o 354.2136 10.84114 3073.429       183.3738 3073.429       183.3738 0.000000       0.000000 354.2136 10.84114 ?        ?        0.000000       10.84114 
1 1 1 10  -12 7  o 98.76756 24.84431 272.5973       117.1898 272.5973       117.1898 0.000000       0.000000 98.76756 24.84431 ?        ?        0.000000       24.84431 
1 1 1 10  -12 8  o 101.4011 20.58596 276.0700       96.38570 276.0700       96.38570 0.000000       0.000000 101.4011 20.58596 ?        ?        0.000000       20.58596 
1 1 1 10  -12 9  o 104.9264 24.19766 307.5755       118.9069 307.5755       118.9069 0.000000       0.000000 104.9264 24.19766 ?        ?        0.000000       24.19766 
1 1 1 10  -12 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -12 11 o 33.32106 15.00027 -19.54257      50.21072 -9.291749      90.36469 -24.12098      60.39157 46.59705 20.60272 36.24474 16.37140 10.35230       26.31529 
1 1 1 10  -12 12 o 65.33185 17.55835 113.9094       56.01295 160.1559       142.7412 105.4919       60.89750 77.05496 28.80199 62.91626 18.80294 14.13871       34.39629 
1 1 1 10  -12 13 o 74.51493 17.42556 148.4103       60.96363 291.0108       130.3460 108.4824       68.97243 99.35779 26.82038 63.73399 20.18871 35.62380       33.56958 
1 1 1 10  -12 14 o 104.6222 14.72140 281.7731       71.60084 460.6102       139.8197 218.2047       83.36057 127.8823 23.74302 89.23016 20.03283 38.65210       31.06518 
1 1 1 10  -12 15 o 40.37358 17.30276 7.102093       59.66710 1.979087       136.2361 8.318001       66.37124 56.18408 25.04300 42.42591 18.21681 13.75817       30.96778 
1 1 1 10  -12 16 o 102.8375 13.00540 270.2889       62.51406 355.2850       153.8667 253.4849       68.41518 105.5343 29.40522 98.52998 14.99605 7.004272       33.00831 
1 1 1 10  -12 17 o 60.45704 20.20099 99.40980       68.57156 197.6393       191.2207 84.91409       73.45708 79.87904 32.30987 57.49187 20.80016 22.38717       38.42622 
1 1 1 10  -11 0  o 155.6272 11.31762 593.6999       83.63162 593.6999       83.63162 0.000000       0.000000 155.6272 11.31762 ?        ?        0.000000       11.31762 
1 1 1 10  -11 1  o 71.20227 19.49420 132.7118       68.29052 132.7118       68.29052 0.000000       0.000000 71.20227 19.49420 ?        ?        0.000000       19.49420 
1 1 1 10  -11 2  o 299.5164 8.823447 2172.564       126.2099 2172.564       126.2099 0.000000       0.000000 299.5164 8.823447 ?        ?        0.000000       8.823447 
1 1 1 10  -11 3  o 128.2387 13.78534 409.0425       83.19159 409.0425       83.19159 0.000000       0.000000 128.2387 13.78534 ?        ?        0.000000       13.78534 
1 1 1 10  -11 4  o 73.45982 20.30717 141.7999       73.70180 141.7999       73.70180 0.000000       0.000000 73.45982 20.30717 ?        ?        0.000000       20.30717 
1 1 1 10  -11 5  o 287.3635 8.979911 2001.113       123.2193 2001.113       123.2193 0.000000       0.000000 287.3635 8.979911 ?        ?        0.000000       8.979911 
1 1 1 10  -11 6  o 162.2596 12.21778 647.8004       94.08252 647.8004       94.08252 0.000000       0.000000 162.2596 12.21778 ?        ?        0.000000       12.21778 
1 1 1 10  -11 7  o 216.1355 16.32343 1170.625       167.4263 1170.625       167.4263 0.000000       0.000000 216.1355 16.32343 ?        ?        0.000000       16.32343 
1 1 1 10  -11 8  o 178.2778 12.11318 781.3215       102.6305 781.3215       102.6305 0.000000       0.000000 178.2778 12.11318 ?        ?        0.000000       12.11318 
1 1 1 10  -11 9  o 138.1090 15.02543 477.8825       97.61301 477.8825       97.61301 0.000000       0.000000 138.1090 15.02543 ?        ?        0.000000       15.02543 
1 1 1 10  -11 10 o 317.7350 7.323041 2435.286       111.2410 2241.844       149.2085 2677.359       166.9131 303.3504 10.30318 331.3896 10.54865 -28.03918      14.74549 
1 1 1 10  -11 11 o 173.4682 9.892045 734.0112       81.69780 639.2284       159.8358 767.5317       95.05271 155.8130 22.07392 176.8638 11.30043 -21.05078      24.79833 
1 1 1 10  -11 12 o 283.6603 9.411963 1957.643       127.4634 1668.778       256.0001 2052.859       146.9772 252.8573 21.37668 289.7920 10.62652 -36.93471      23.87227 
1 1 1 10  -11 13 o 42.32180 17.86740 10.91584       61.99062 -88.06916      192.1335 22.41735       65.49316 60.43709 28.00000 45.28418 18.68129 15.15291       33.65993 
1 1 1 10  -11 14 o 143.4571 12.85827 513.4825       87.25438 324.3108       215.4566 550.5939       95.43005 101.8396 35.75296 148.2161 13.61947 -46.37650      38.25917 
1 1 1 10  -11 15 o 97.20433 13.84397 240.1098       62.51975 252.9049       244.6412 239.2158       64.66708 92.80500 36.88253 96.78702 14.41427 -3.982018      39.59914 
1 1 1 10  -11 16 o 81.25594 21.01374 181.3898       82.23695 260.3103       289.8657 174.4815       85.76077 93.83326 39.05769 79.40903 21.88767 14.42423       44.77246 
1 1 1 10  -11 17 o 123.1833 18.26143 400.3623       104.2943 616.4210       313.0179 373.3812       110.6148 126.3287 43.15774 117.5575 20.42198 8.771179       47.74566 
1 1 1 10  -11 18 o 162.6876 13.26011 667.9006       102.2422 635.7260       218.5672 676.9133       115.6792 140.9337 33.01984 162.5732 15.05421 -21.63956      36.28965 
1 1 1 10  -11 19 o 172.3240 12.31447 747.0980       100.7855 825.2886       232.2739 728.9620       111.8649 161.7537 31.16592 169.0184 13.96828 -7.264664      34.15300 
1 1 1 10  -11 20 o 68.30228 17.96147 128.3351       59.42185 -317.7453      184.3413 180.0609       62.77254 45.38404 22.49771 81.80479 16.61792 -36.42075      27.96966 
1 1 1 10  -10 0  o 36.03930 15.74706 -8.404335      51.37604 -8.404335      51.37604 0.000000       0.000000 36.03930 15.74706 ?        ?        0.000000       15.74706 
1 1 1 10  -10 1  f 384.0991 7.907011 3553.841       145.1991 3553.841       145.1991 0.000000       0.000000 384.0991 7.907011 ?        ?        0.000000       7.907011 
1 1 1 10  -10 2  o 264.3659 8.765639 1688.209       110.6360 1688.209       110.6360 0.000000       0.000000 264.3659 8.765639 ?        ?        0.000000       8.765639 
1 1 1 10  -10 3  o 45.04254 18.11944 25.95938       59.77732 25.95938       59.77732 0.000000       0.000000 45.04254 18.11944 ?        ?        0.000000       18.11944 
1 1 1 10  -10 4  o 186.7568 10.36110 847.2810       92.14783 847.2810       92.14783 0.000000       0.000000 186.7568 10.36110 ?        ?        0.000000       10.36110 
1 1 1 10  -10 5  f 55.69065 19.71066 69.57578       65.58454 69.57578       65.58454 0.000000       0.000000 55.69065 19.71066 ?        ?        0.000000       19.71066 
1 1 1 10  -10 6  o 263.2227 8.966252 1675.095       112.6700 1675.095       112.6700 0.000000       0.000000 263.2227 8.966252 ?        ?        0.000000       8.966252 
1 1 1 10  -10 7  o 61.86523 20.74482 92.70684       72.30539 92.70684       72.30539 0.000000       0.000000 61.86523 20.74482 ?        ?        0.000000       20.74482 
1 1 1 10  -10 8  o 242.9013 9.528260 1430.028       110.4355 1430.028       110.4355 0.000000       0.000000 242.9013 9.528260 ?        ?        0.000000       9.528260 
1 1 1 10  -10 9  o 78.20554 11.99798 152.3744       43.42963 187.1311       79.52612 137.6039       51.84288 84.55469 19.98991 73.41013 15.26959 11.14456       25.15466 
1 1 1 10  -10 10 o 213.6686 7.626868 1101.842       77.78542 1127.241       112.0014 1078.177       108.1121 215.0498 10.92955 210.3591 10.78591 4.690613       15.35549 
1 1 1 10  -10 11 o 85.01279 14.67353 182.8329       57.48383 520.8995       180.7298 144.7830       60.63255 137.7365 28.38982 74.78542 17.30204 62.95109       33.24669 
1 1 1 10  -10 12 o 266.9248 8.996478 1726.162       114.6433 1949.000       212.0740 1634.156       136.2706 279.7571 15.92190 258.8343 11.03749 20.92282       19.37351 
1 1 1 10  -10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -10 14 o 111.2608 12.05536 306.1222       63.10219 294.4538       135.8611 309.3317       71.25413 103.0985 27.18172 111.3294 13.67414 -8.230896      30.42742 
1 1 1 10  -10 15 o 148.8454 11.91162 545.5914       84.05772 454.4021       158.4729 581.2917       99.15588 128.5263 26.66500 152.9580 13.70439 -24.43172      29.98053 
1 1 1 10  -10 16 o 79.61228 15.21431 162.6730       55.79786 3.892916       235.6435 172.1045       57.43114 73.46227 32.82710 81.94023 15.22043 -8.477959      36.18398 
1 1 1 10  -10 17 o 93.07249 17.77055 226.6302       76.19022 254.9866       250.4366 223.7380       79.98145 95.08222 37.46494 92.02039 18.81558 3.061836       41.92431 
1 1 1 10  -10 18 o 134.5479 14.41232 457.5536       91.26563 386.9259       284.4908 465.6561       96.35857 107.1310 40.52845 135.3703 15.14820 -28.23932      43.26689 
1 1 1 10  -10 19 o 166.2811 13.14328 692.5081       103.6361 537.7371       215.3571 739.1520       118.2258 130.0965 34.18543 170.9214 14.60786 -40.82489      37.17571 
1 1 1 10  -10 20 o 87.94697 17.75598 205.6510       72.08233 277.6020       205.6823 195.5767       76.96337 93.85671 34.66993 84.97495 19.37590 8.881767       39.71686 
1 1 1 10  -10 21 o 122.8321 20.22150 409.6369       114.6213 771.2291       357.3107 368.1587       121.0170 133.9519 46.09917 114.4221 22.92177 19.52972       51.48341 
1 1 1 10  -10 22 o 104.6951 24.09695 319.7517       118.1113 257.3941       374.7593 326.6288       124.4539 89.81673 40.65525 105.0110 25.12612 -15.19427      47.79301 
1 1 1 10  -10 23 o 72.99731 25.08852 156.9547       105.8194 123.2794       208.0559 168.7058       122.9033 73.41714 31.88916 75.03513 26.93622 -1.617996      41.74301 
1 1 1 10  -9  0  o 119.2504 11.58081 348.1218       65.19443 348.1218       65.19443 0.000000       0.000000 119.2504 11.58081 ?        ?        0.000000       11.58081 
1 1 1 10  -9  1  o 215.2000 8.901999 1118.647       91.39014 1118.647       91.39014 0.000000       0.000000 215.2000 8.901999 ?        ?        0.000000       8.901999 
1 1 1 10  -9  2  o 53.02760 18.21363 64.55639       55.76836 64.55639       55.76836 0.000000       0.000000 53.02760 18.21363 ?        ?        0.000000       18.21363 
1 1 1 10  -9  3  o 249.2166 8.496651 1498.175       101.0875 1498.175       101.0875 0.000000       0.000000 249.2166 8.496651 ?        ?        0.000000       8.496651 
1 1 1 10  -9  4  o 77.29459 16.70012 152.4834       59.90801 152.4834       59.90801 0.000000       0.000000 77.29459 16.70012 ?        ?        0.000000       16.70012 
1 1 1 10  -9  5  o 183.8978 9.434742 818.3629       82.67244 818.3629       82.67244 0.000000       0.000000 183.8978 9.434742 ?        ?        0.000000       9.434742 
1 1 1 10  -9  6  f 164.2120 10.25111 654.4294       80.07790 654.4294       80.07790 0.000000       0.000000 164.2120 10.25111 ?        ?        0.000000       10.25111 
1 1 1 10  -9  7  o 208.1626 8.783463 1046.324       87.21671 1046.324       87.21671 0.000000       0.000000 208.1626 8.783463 ?        ?        0.000000       8.783463 
1 1 1 10  -9  8  f 238.7750 9.017507 1376.870       102.7549 1376.870       102.7549 0.000000       0.000000 238.7750 9.017507 ?        ?        0.000000       9.017507 
1 1 1 10  -9  9  o 132.1158 7.878426 421.5696       49.53654 367.0371       68.61726 480.9255       71.58762 122.4137 11.87346 140.5524 10.73469 -18.13874      16.00664 
1 1 1 10  -9  10 o 59.18830 15.80350 89.09530       45.55917 64.72456       152.7936 91.47350       47.73036 69.90854 28.65400 59.96669 16.24800 9.941849       32.94008 
1 1 1 10  -9  11 o 144.9964 10.25266 511.1736       70.61429 692.9043       180.1086 478.1650       76.75987 163.6136 23.71600 139.8849 11.58141 23.72871       26.39276 
1 1 1 10  -9  12 o 219.1010 9.248645 1161.612       96.66138 1491.823       211.4455 1074.373       108.6826 244.2688 18.23761 210.2156 10.85073 34.05325       21.22142 
1 1 1 10  -9  13 o 74.35243 16.55328 141.9562       57.32928 157.4228       180.4694 140.2202       60.46104 83.94962 32.15469 73.71457 17.43165 10.23505       36.57576 
1 1 1 10  -9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -9  15 o 132.4044 12.76999 432.6186       79.83367 593.4810       223.3239 409.0499       85.48225 144.3220 33.07589 128.2493 14.17803 16.07268       35.98655 
1 1 1 10  -9  16 o 162.3799 11.72194 646.5814       90.38721 1191.362       254.0418 567.6213       96.71597 211.8643 25.59905 151.4610 13.49766 60.40335       28.93956 
1 1 1 10  -9  17 o 245.5831 12.25074 1479.144       143.3823 1768.906       240.0677 1318.463       178.7700 263.9354 19.15551 229.5323 16.39884 34.40308       25.21617 
1 1 1 10  -9  18 o 176.9286 12.38451 770.8256       104.0960 967.9215       208.5803 705.4524       120.1252 191.7931 23.21963 168.0243 15.11527 23.76883       27.70600 
1 1 1 10  -9  19 o 118.1486 15.36732 353.2059       84.74819 466.3663       313.9097 344.3096       88.01651 118.6834 42.99014 116.2460 16.28315 2.437454       45.97057 
1 1 1 10  -9  20 o 49.54352 21.51476 2.847255       94.66038 -57.58285      327.6318 8.351199       98.87726 78.53509 36.44648 51.18971 22.10938 27.34538       42.62828 
1 1 1 10  -9  21 f 152.7097 15.62966 594.1223       112.5023 492.3379       225.8839 627.6999       129.7386 123.0873 36.06852 155.6560 17.75080 -32.56870      40.19987 
1 1 1 10  -9  22 o 60.66918 24.58499 66.91282       110.9462 406.7104       373.7190 34.07132       116.1841 105.7833 44.21429 57.18298 24.31474 48.60030       50.45900 
1 1 1 10  -9  23 f 48.29349 22.40631 -66.51965      123.7077 -181.4346      399.8731 -54.35732      130.0896 75.93857 36.64934 50.58680 23.29484 25.35176       43.42607 
1 1 1 10  -9  24 o 104.9755 27.08589 334.7292       136.8416 161.8562       253.3972 405.8996       162.5878 80.78300 35.13962 113.4988 29.64495 -32.71580      45.97408 
1 1 1 10  -9  25 o 39.80484 18.67593 -65.53207      89.92316 -614.1543      431.0274 -40.56699      91.94638 63.84925 32.06438 42.63268 19.61465 21.21658       37.58802 
1 1 1 10  -8  0  f 219.4457 8.073685 1160.109       84.56026 1160.109       84.56026 0.000000       0.000000 219.4457 8.073685 ?        ?        0.000000       8.073685 
1 1 1 10  -8  1  o 68.20692 15.67041 118.2521       50.02406 118.2521       50.02406 0.000000       0.000000 68.20692 15.67041 ?        ?        0.000000       15.67041 
1 1 1 10  -8  2  o 95.21530 12.37971 223.4601       55.02111 223.4601       55.02111 0.000000       0.000000 95.21530 12.37971 ?        ?        0.000000       12.37971 
1 1 1 10  -8  3  o 155.8776 8.961164 587.2518       66.50012 587.2518       66.50012 0.000000       0.000000 155.8776 8.961164 ?        ?        0.000000       8.961164 
1 1 1 10  -8  4  o 402.3475 7.602221 3891.565       146.2346 3891.565       146.2346 0.000000       0.000000 402.3475 7.602221 ?        ?        0.000000       7.602221 
1 1 1 10  -8  5  o 194.9071 8.503881 916.2465       79.05089 916.2465       79.05089 0.000000       0.000000 194.9071 8.503881 ?        ?        0.000000       8.503881 
1 1 1 10  -8  6  f 62.64321 17.30096 99.59015       53.52351 99.59015       53.52351 0.000000       0.000000 62.64321 17.30096 ?        ?        0.000000       17.30096 
1 1 1 10  -8  7  o 253.7902 8.425488 1552.326       102.0883 1552.326       102.0883 0.000000       0.000000 253.7902 8.425488 ?        ?        0.000000       8.425488 
1 1 1 10  -8  8  o 209.3718 6.816277 1053.933       68.13882 1075.056       92.52821 1028.906       100.7175 210.9688 9.195850 206.1221 10.25268 4.846680       13.77247 
1 1 1 10  -8  9  o 103.3006 11.04190 261.1033       53.68769 208.1789       135.1342 271.0226       58.50292 89.53312 28.24576 105.0863 11.85102 -15.55315      30.63119 
1 1 1 10  -8  10 o 242.8162 8.700105 1422.320       100.8342 1411.434       198.4115 1426.110       117.0810 238.6174 17.51429 242.7548 10.11025 -4.137405      20.22294 
1 1 1 10  -8  11 o 296.1625 8.983326 2116.445       127.0496 1941.615       265.4328 2168.404       144.7025 278.5143 20.06876 299.4038 10.12361 -20.88953      22.47760 
1 1 1 10  -8  12 o 126.7192 10.53634 390.9304       63.25539 359.2673       129.6154 400.8290       72.47157 117.2517 23.93301 127.9899 11.98292 -10.73820      26.76527 
1 1 1 10  -8  13 o 242.2354 9.135270 1417.113       105.6060 1599.191       211.8637 1356.917       121.8186 253.9571 17.55777 236.5467 10.80030 17.41042       20.61363 
1 1 1 10  -8  14 o 113.5126 13.48685 318.2806       71.76276 333.2067       204.8571 316.1927       76.61762 110.1170 34.78226 112.8445 14.53920 -2.727470      37.69872 
1 1 1 10  -8  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -8  16 o 129.8465 13.07670 415.5710       80.07321 342.9077       170.2739 436.2028       90.73171 111.2924 30.90479 132.5974 14.55129 -21.30502      34.15913 
1 1 1 10  -8  17 o 218.9594 10.99150 1167.681       114.6933 1138.132       223.3939 1178.258       133.6531 210.0649 22.59886 219.2302 12.80754 -9.165314      25.97579 
1 1 1 10  -8  18 o 48.02914 20.70864 0.9871889      86.45396 165.3953       282.8109 -15.96043      90.80064 93.11420 38.65384 46.99835 20.72174 46.11584       43.85784 
1 1 1 10  -8  19 o 111.2125 18.30652 317.4906       93.95095 391.8274       186.8360 292.3322       108.6927 116.8955 32.33957 104.9831 22.34230 11.91239       39.30682 
1 1 1 10  -8  20 o 77.14782 24.75300 156.1195       103.4190 37.72616       204.8884 196.5966       119.8004 73.27566 31.73745 85.36880 26.54626 -12.09315      41.37595 
1 1 1 10  -8  21 o 210.7562 14.91773 1107.575       149.3400 1583.116       368.0446 1013.847       163.3957 234.1096 33.86586 200.2225 17.23708 33.88716       38.00017 
1 1 1 10  -8  22 o 99.70228 20.24732 264.4842       93.21359 316.1124       225.3768 253.8304       102.3804 101.9917 36.49242 96.55626 22.58314 5.435432       42.91497 
1 1 1 10  -8  23 o 298.9411 13.19235 2224.261       188.0811 2283.512       411.6986 2208.634       211.4345 278.7994 31.43460 296.2033 14.97923 -17.40390      34.82114 
1 1 1 10  -8  24 o 210.7434 14.95397 1124.720       149.6886 1533.162       277.6588 957.3735       177.7277 234.9466 25.10793 190.4048 19.81346 44.54181       31.98408 
1 1 1 10  -8  25 o 127.2792 22.51325 448.0814       131.9838 587.5092       257.0825 398.1797       153.7996 128.9149 38.65818 115.4285 28.13067 13.48647       47.80993 
1 1 1 10  -8  26 o 65.11398 23.25834 113.3250       91.51091 -307.8071      405.2278 135.9557       93.93754 70.39577 34.60347 69.67455 23.64537 0.7212219      41.91066 
1 1 1 10  -8  27 o 40.86737 19.91836 -173.2479      125.9452 -193.3533      226.6254 -164.2635      151.4939 56.23395 27.24819 46.34225 22.41261 9.891701       35.28157 
1 1 1 10  -7  0  o 82.32821 11.17975 166.6578       42.86775 166.6578       42.86775 0.000000       0.000000 82.32821 11.17975 ?        ?        0.000000       11.17975 
1 1 1 10  -7  1  o 330.0944 7.425155 2616.958       117.1796 2616.958       117.1796 0.000000       0.000000 330.0944 7.425155 ?        ?        0.000000       7.425155 
1 1 1 10  -7  2  o 184.3011 7.990237 817.8725       70.23647 817.8725       70.23647 0.000000       0.000000 184.3011 7.990237 ?        ?        0.000000       7.990237 
1 1 1 10  -7  3  o 252.8901 10.79912 1546.629       130.2649 1546.629       130.2649 0.000000       0.000000 252.8901 10.79912 ?        ?        0.000000       10.79912 
1 1 1 10  -7  4  o 269.0347 7.641495 1740.177       98.18718 1740.177       98.18718 0.000000       0.000000 269.0347 7.641495 ?        ?        0.000000       7.641495 
1 1 1 10  -7  5  o 185.4866 12.54469 837.1247       110.5907 837.1247       110.5907 0.000000       0.000000 185.4866 12.54469 ?        ?        0.000000       12.54469 
1 1 1 10  -7  6  o 167.7029 9.189915 679.1519       73.40022 679.1519       73.40022 0.000000       0.000000 167.7029 9.189915 ?        ?        0.000000       9.189915 
1 1 1 10  -7  7  o 287.1741 7.776154 1983.127       106.6642 1983.127       106.6642 0.000000       0.000000 287.1741 7.776154 ?        ?        0.000000       7.776154 
1 1 1 10  -7  8  f 98.77532 8.874590 236.6799       41.46251 191.6261       61.30640 274.6599       56.28817 87.46621 15.21288 106.0261 11.27723 -18.55991      18.93694 
1 1 1 10  -7  9  o 186.3851 8.439956 837.3947       75.01211 1051.633       152.0668 768.5004       86.23386 206.9982 15.47802 178.1976 10.16418 28.80052       18.51701 
1 1 1 10  -7  10 o 148.9928 9.046674 536.5733       64.13738 875.1969       146.6545 456.4901       71.31940 188.3463 16.45155 137.0065 10.98010 51.33980       19.77918 
1 1 1 10  -7  11 o 60.50293 14.31356 92.68916       40.75164 39.44856       85.22308 108.4714       46.40023 54.07762 21.67599 65.39056 15.14087 -11.31294      26.44040 
1 1 1 10  -7  12 o 345.4746 8.236531 2871.999       136.0407 2865.817       228.5808 2875.389       169.2866 342.7158 13.98009 344.8976 10.27800 -2.181763      17.35166 
1 1 1 10  -7  13 o 216.1356 9.358455 1128.544       96.47359 1133.068       193.2046 1127.042       111.3487 213.0587 19.17233 215.6066 10.83701 -2.547867      22.02314 
1 1 1 10  -7  14 o 163.0134 10.11884 644.2891       78.47224 649.7607       147.2203 642.1176       92.74594 160.6994 19.56494 162.2652 12.04113 -1.565811      22.97337 
1 1 1 10  -7  15 o 108.0750 13.94717 289.2451       70.38571 520.6245       229.8029 265.2919       73.93930 136.6074 35.02426 103.0125 15.49261 33.59492       38.29778 
1 1 1 10  -7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -7  17 f 75.53662 23.00568 146.0074       90.54690 103.7179       172.9683 161.9711       106.2716 77.53160 30.94670 79.56945 25.04112 -2.037849      39.80899 
1 1 1 10  -7  18 o 305.3072 14.19530 2285.107       206.6330 2405.774       333.5551 2209.962       263.2243 307.3097 22.86687 297.6028 18.59328 9.706879       29.47209 
1 1 1 10  -7  19 o 205.1197 13.12557 1032.217       128.0410 1327.636       229.7605 899.1438       154.2060 228.2016 21.30575 189.6387 17.19522 38.56294       27.37902 
1 1 1 10  -7  20 o 136.3501 19.93606 476.9498       126.1173 303.8942       323.2932 508.0124       136.9691 107.9056 42.55189 140.2570 21.07757 -32.35146      47.48607 
1 1 1 10  -7  21 o 136.8984 17.72214 475.4622       113.2715 615.8198       213.4264 420.4249       133.6470 148.2064 31.11394 126.1966 22.99860 22.00976       38.69125 
1 1 1 10  -7  22 o 161.4642 18.05948 661.7211       137.0236 766.0947       361.3845 644.1964       148.0808 151.6656 45.91278 158.2647 20.01774 -6.599045      50.08685 
1 1 1 10  -7  23 o 73.94022 21.62483 144.7087       81.26421 15.39408       221.6199 164.7968       87.34837 73.16910 32.31205 78.53897 22.25269 -5.369873      39.23329 
1 1 1 10  -7  24 o 97.89978 21.34634 257.7775       97.08799 308.7246       363.6564 253.8675       100.7447 103.6820 43.49444 96.72386 22.24985 6.958145       48.85511 
1 1 1 10  -7  25 o 200.8412 17.16078 1034.973       163.2004 712.5209       251.8766 1268.304       214.2599 150.1601 35.62547 219.1719 20.69281 -69.01183      41.19911 
1 1 1 10  -7  26 o 97.08733 26.02196 272.6564       123.2321 90.66415       222.6336 353.0461       147.9669 76.04932 33.01029 109.2183 28.15762 -33.16900      43.38814 
1 1 1 10  -7  27 o 68.18713 29.04718 77.07158       166.3433 -66.94750      226.0659 247.1120       245.6412 64.38892 30.01416 89.64709 36.48792 -25.25816      47.24636 
1 1 1 10  -7  28 o 127.8151 23.84097 470.3646       140.3273 416.9453       245.7546 496.2081       170.9336 104.4350 38.00772 126.2830 28.93413 -21.84805      47.76788 
1 1 1 10  -6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -6  4  o 187.5768 7.696316 846.2609       68.87269 846.2609       68.87269 0.000000       0.000000 187.5768 7.696316 ?        ?        0.000000       7.696316 
1 1 1 10  -6  5  o 209.3384 7.654857 1053.614       76.48257 1053.614       76.48257 0.000000       0.000000 209.3384 7.654857 ?        ?        0.000000       7.654857 
1 1 1 10  -6  6  o 191.4918 7.781588 882.0504       71.09209 882.0504       71.09209 0.000000       0.000000 191.4918 7.781588 ?        ?        0.000000       7.781588 
1 1 1 10  -6  7  o 69.62952 9.688283 118.9222       31.37905 66.79517       50.71237 151.2621       39.94400 53.13373 17.35676 78.45193 10.94748 -25.31820      20.52083 
1 1 1 10  -6  8  o 334.9781 7.631259 2694.465       122.2140 2539.039       187.3603 2809.575       161.2395 323.8450 12.12270 341.3968 9.889207 -17.55179      15.64469 
1 1 1 10  -6  9  o 556.3251 7.909610 7435.046       210.3740 7137.965       312.1348 7682.324       284.7721 543.3473 12.01590 564.4155 10.55334 -21.06824      15.99234 
1 1 1 10  -6  10 o 71.00392 14.16755 126.6421       46.40693 148.9064       138.1363 123.8097       49.27055 80.50723 28.59489 70.01765 15.15888 10.48958       32.36448 
1 1 1 10  -6  11 o 201.0429 8.890775 974.3903       85.24348 1148.141       177.3495 922.1892       97.20880 215.8347 17.33261 195.2558 10.45150 20.57895       20.23989 
1 1 1 10  -6  12 o 182.3343 9.248484 802.5098       80.35753 865.3931       159.6024 781.1558       93.00602 186.8883 18.08864 179.5493 10.88590 7.339050       21.11165 
1 1 1 10  -6  13 o 314.5036 8.675561 2381.838       130.3216 2847.455       252.5537 2212.864       152.1419 341.2153 15.52229 302.6077 10.53230 38.60760       18.75822 
1 1 1 10  -6  14 o 423.5405 9.616652 4324.506       194.7275 4492.276       468.2543 4289.425       214.1205 422.5955 23.26632 421.2929 10.63931 1.302551       25.58352 
1 1 1 10  -6  15 o 306.4478 9.483041 2266.309       138.7681 2708.900       281.3266 2123.997       159.5255 331.1913 17.83315 296.0741 11.29062 35.11722       21.10686 
1 1 1 10  -6  16 o 170.8313 13.15887 713.5659       106.6442 763.7484       183.2609 687.8711       131.1346 173.1387 22.68459 166.5832 16.69016 6.555450       28.16295 
1 1 1 10  -6  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -6  18 o 275.7841 13.87385 1858.728       182.3381 2033.019       317.4790 1772.938       222.7375 282.6946 23.70853 267.6045 17.50582 15.09012       29.47115 
1 1 1 10  -6  19 o 138.6746 16.66823 479.4160       108.2957 455.5732       196.4394 489.8263       129.8024 128.8400 32.02857 138.9343 20.12736 -10.09439      37.82777 
1 1 1 10  -6  20 o 67.79276 27.02030 74.70322       131.6720 59.61232       288.7418 78.66537       147.9511 87.38395 37.76207 70.83184 28.50171 16.55211       47.31091 
1 1 1 10  -6  21 o 81.64629 27.50350 169.6854       127.0857 109.5001       172.3974 241.3165       188.0772 77.46271 30.90344 95.79374 33.42034 -18.33103      45.51859 
1 1 1 10  -6  22 o 261.3495 15.23851 1690.301       189.5765 1807.890       325.8099 1630.111       233.0991 261.7421 26.39672 254.0286 19.33862 7.713486       32.72261 
1 1 1 10  -6  23 o 416.8494 12.79538 4258.862       254.6983 4340.018       487.2642 4228.352       298.7628 406.7227 25.18216 413.3151 15.14509 -6.592346      29.38562 
1 1 1 10  -6  24 f 67.32874 27.77101 63.88010       144.7014 0.1312024E-10  193.8048 144.3499       217.5194 68.54240 30.24488 84.75421 34.39517 -16.21181      45.80153 
1 1 1 10  -6  25 o 70.47988 27.17158 107.1537       129.4492 570.0298       338.0684 27.62737       140.1289 129.5039 44.82853 62.00761 26.54405 67.49629       52.09783 
1 1 1 10  -6  26 o 59.78955 26.49222 -4.693147      150.1910 -27.99348      205.6407 21.94513       219.8777 66.47246 30.09949 71.99335 31.96857 -5.520897      43.90864 
1 1 1 10  -6  27 o 238.0205 19.07725 1478.409       215.2731 1596.211       387.4748 1425.812       258.9088 223.0598 37.67446 228.2124 24.09332 -5.152649      44.71972 
1 1 1 10  -6  28 o 95.46617 25.50656 263.5712       118.6305 123.5274       225.7966 316.9664       139.4236 78.62794 33.67756 103.3744 27.66615 -24.74646      43.58433 
1 1 1 10  -6  29 o 61.24685 25.69203 62.40963       126.8809 34.29499       409.1969 65.40025       133.4588 82.32905 38.99498 62.45658 26.28368 19.87246       47.02596 
1 1 1 10  -6  30 o 45.44105 22.36684 -258.0467      171.1695 -293.4612      263.9278 -232.3371      224.8755 56.91281 27.96595 54.44128 26.55209 2.471527       38.56304 
1 1 1 10  -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -5  5  o 386.1439 10.27381 3592.206       189.4973 3592.206       189.4973 0.000000       0.000000 386.1439 10.27381 ?        ?        0.000000       10.27381 
1 1 1 10  -5  6  o 279.4330 7.220566 1874.422       96.38143 1874.422       96.38143 0.000000       0.000000 279.4330 7.220566 ?        ?        0.000000       7.220566 
1 1 1 10  -5  7  o 265.0363 5.805730 1683.094       73.56488 1735.640       92.90370 1594.763       120.4543 268.8714 7.233939 257.2455 9.812130 11.62595       12.19048 
1 1 1 10  -5  8  f 134.0659 15.56543 442.5567       97.91486 442.5567       97.91486 0.000000       0.000000 134.0659 15.56543 ?        ?        0.000000       15.56543 
1 1 1 10  -5  9  o 188.2363 8.050393 852.5031       72.28109 941.0563       124.3699 807.3369       88.82184 196.7262 13.30165 182.8110 10.20318 13.91522       16.76422 
1 1 1 10  -5  10 o 347.1440 8.971787 2899.627       148.7760 2894.886       322.9255 2900.905       167.6257 342.5769 19.80115 346.9133 10.11755 -4.336426      22.23624 
1 1 1 10  -5  11 o 306.8095 8.108092 2262.803       118.8270 2470.209       200.6499 2150.773       147.4677 319.1303 13.17947 298.5872 10.34604 20.54315       16.75527 
1 1 1 10  -5  12 o 306.5879 8.186067 2259.983       119.8809 2635.845       211.0660 2080.986       145.6555 329.5452 13.42471 293.6646 10.39087 35.88058       16.97625 
1 1 1 10  -5  13 o 198.9408 10.76839 957.4116       102.0378 993.9133       156.7901 930.5939       134.3919 201.1523 16.44713 195.1868 14.50541 5.965454       21.92977 
1 1 1 10  -5  14 o 368.1351 9.569105 3266.024       168.2746 3839.915       367.9024 3114.201       189.2285 394.2192 19.58159 358.9901 11.03855 35.22916       22.47862 
1 1 1 10  -5  15 o 244.3653 9.842262 1441.355       114.7502 1275.135       206.3630 1515.756       138.0632 226.7248 19.21905 250.1449 11.57597 -23.42012      22.43602 
1 1 1 10  -5  16 o 171.8828 12.49117 719.5370       101.9460 795.1616       199.6765 692.8740       118.5632 176.4590 24.31436 167.9896 14.91743 8.469391       28.52574 
1 1 1 10  -5  17 o 229.9673 14.04714 1291.848       153.7041 1011.054       256.9756 1448.262       191.7942 197.0519 28.07017 242.5158 16.64286 -45.46388      32.63310 
1 1 1 10  -5  18 o 314.7678 12.34085 2407.168       185.3537 2122.941       307.1243 2570.000       232.4613 290.3105 22.29876 323.9985 15.04829 -33.68799      26.90141 
1 1 1 10  -5  19 o 187.9483 18.30247 880.4009       162.3778 745.4483       275.2852 952.4077       201.0845 163.5939 36.16025 193.8017 22.09696 -30.20779      42.37735 
1 1 1 10  -5  20 f 169.0446 19.70218 718.7532       156.2483 827.7662       278.4953 668.6763       188.7545 173.3239 34.81855 160.3924 25.46537 12.93146       43.13718 
1 1 1 10  -5  21 o 69.49516 23.90382 114.7687       96.06741 12.87769       166.0257 166.0542       117.7888 66.73402 28.73495 81.02737 26.45127 -14.29336      39.05595 
1 1 1 10  -5  22 o 63.05195 22.70309 88.15386       87.38480 316.4548       171.7957 8.468413       101.4957 107.5255 31.44043 53.06895 22.65074 54.45650       38.74993 
1 1 1 10  -5  23 o 214.7989 16.73479 1149.345       170.4992 1011.429       320.5844 1203.741       201.3344 187.6041 37.05811 218.3082 19.49527 -30.70409      41.87325 
1 1 1 10  -5  24 o 35.41926 17.15140 -137.8109      89.42260 -125.0062      181.4270 -141.9198      102.7734 57.69524 26.89200 38.91609 18.73077 18.77915       32.77227 
1 1 1 10  -5  25 o 119.9134 30.08438 404.5271       172.1618 299.0148       347.9308 438.7372       198.1154 107.1669 43.49696 123.3224 32.96769 -16.15553      54.57888 
1 1 1 10  -5  26 o 243.3110 15.77164 1478.192       182.4739 1674.253       294.7971 1356.418       232.3307 251.3708 24.85514 228.9320 21.47798 22.43880       32.84938 
1 1 1 10  -5  27 o 105.0771 24.56289 304.0477       121.1702 118.9660       243.0605 365.2558       139.7775 82.94746 35.21534 114.5164 26.11188 -31.56898      43.84005 
1 1 1 10  -5  28 o 114.9498 26.01313 374.5433       139.6108 1210.612       412.5031 266.3850       148.3666 180.6465 47.23704 95.06718 29.53897 85.57928       55.71255 
1 1 1 10  -5  29 o 189.0799 20.98954 956.4697       186.5461 1120.523       284.5759 832.8565       247.0235 192.3129 32.08091 164.8864 32.49211 27.42656       45.66095 
1 1 1 10  -5  30 o 87.02699 32.23285 233.6258       177.9919 180.1440       263.3444 278.6060       241.5080 84.14487 36.21032 92.32882 36.66102 -8.183945      51.52881 
1 1 1 10  -5  31 o 101.1015 36.05492 377.9619       219.8220 261.6473       452.0287 413.9889       251.5727 89.99639 42.11160 102.8352 38.27642 -12.83885      56.90757 
1 1 1 10  -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -4  6  o 186.6264 10.64299 840.6190       94.56724 840.6190       94.56724 0.000000       0.000000 186.6264 10.64299 ?        ?        0.000000       10.64299 
1 1 1 10  -4  7  o 157.1926 7.481952 593.9326       56.06696 626.5699       90.00235 573.2350       71.67288 160.8252 11.78741 154.1198 9.777612 6.705353       15.31486 
1 1 1 10  -4  8  o 150.2715 8.088407 543.4789       57.89548 526.1335       98.90083 552.5215       71.40957 146.7917 14.27254 151.2630 9.929411 -4.471237      17.38673 
1 1 1 10  -4  9  o 196.7153 7.864432 930.0713       73.81380 1092.241       129.8754 852.6943       89.71143 212.2850 12.85701 188.0168 10.01643 24.26817       16.29820 
1 1 1 10  -4  10 o 169.2580 8.367411 689.5955       67.49945 999.0897       132.2739 580.6244       78.48808 202.7523 13.72676 154.9203 10.66212 47.83203       17.38116 
1 1 1 10  -4  11 o 206.8782 8.517900 1029.813       84.06702 1367.362       155.8018 891.1737       99.84960 237.2596 13.79487 192.0057 10.92242 45.25389       17.59539 
1 1 1 10  -4  12 o 429.5052 9.554717 4438.018       196.1980 4987.911       470.1961 4322.089       215.8909 448.7638 21.98247 423.3934 10.67403 25.37036       24.43693 
1 1 1 10  -4  13 o 196.2862 9.874934 929.7728       92.37088 788.2621       169.9270 989.1265       110.0505 177.9025 20.34433 202.1507 11.43358 -24.24823      23.33706 
1 1 1 10  -4  14 o 242.4198 9.283923 1415.810       107.4001 1525.232       198.5728 1370.565       127.6881 249.4900 16.74482 238.0745 11.25018 11.41548       20.17314 
1 1 1 10  -4  15 o 152.7399 12.01774 567.1619       87.05097 741.9175       186.1689 518.2614       98.48010 171.2893 23.34019 145.4363 14.35018 25.85300       27.39877 
1 1 1 10  -4  16 o 158.3209 12.66104 610.5251       95.03521 892.6053       202.8488 531.1981       107.5714 188.0897 23.03838 146.8911 15.55369 41.19865       27.79720 
1 1 1 10  -4  17 o 105.1611 16.50053 276.3445       80.23084 57.34242       234.1274 305.4836       85.40173 82.21660 34.71757 110.6342 16.66277 -28.41764      38.50919 
1 1 1 10  -4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -4  19 o 176.6385 14.34067 764.7003       120.0645 678.5404       203.8146 810.4897       148.5818 161.1771 27.43161 180.8584 17.39818 -19.68135      32.48369 
1 1 1 10  -4  20 o 125.2027 22.27703 402.8936       128.4580 442.6059       185.2066 366.0784       178.3229 128.0095 30.66572 116.2053 31.37132 11.80428       43.86965 
1 1 1 10  -4  21 o 47.87648 22.33532 -104.9920      125.6009 -192.8794      179.7264 -21.09537      175.5985 54.05354 25.67238 65.42809 28.83325 -11.37455      38.60606 
1 1 1 10  -4  22 f 280.3775 13.53593 1919.025       180.9068 2074.370       265.9190 1785.186       246.8279 288.4343 19.39664 267.4683 19.43510 20.96600       27.45820 
1 1 1 10  -4  23 o 144.8425 19.82200 531.1332       133.6653 408.1109       334.3112 554.5413       145.8284 121.2428 44.29842 147.4379 21.30541 -26.19514      49.15558 
1 1 1 10  -4  24 o 245.2084 15.36201 1483.375       179.1861 1650.151       276.8095 1363.086       235.0866 253.8965 23.05538 231.6248 21.47373 22.27177       31.50669 
1 1 1 10  -4  25 o 137.9117 19.33768 485.4951       124.0024 742.7722       226.9222 375.9612       148.0644 164.7800 29.90583 117.7345 26.89584 47.04553       40.22119 
1 1 1 10  -4  26 f 172.9938 19.27032 762.3348       156.6753 1191.200       373.7920 670.9299       172.5657 198.2697 40.79509 159.9967 23.23889 38.27295       46.94982 
1 1 1 10  -4  27 o 41.58408 19.91407 -139.7301      112.8942 -296.7086      226.7939 -88.01945      130.1672 56.29454 27.27298 49.51945 22.97812 6.775089       35.66244 
1 1 1 10  -4  28 o 62.66083 27.80885 -10.09012      166.1464 176.0501       233.7163 -200.2671      236.2370 88.01881 35.67734 61.63805 29.31985 26.38076       46.17928 
1 1 1 10  -4  29 o 111.8970 35.68639 397.3516       215.2019 560.9052       418.9928 338.7452       250.8124 120.2371 48.10724 103.3412 38.26482 16.89594       61.46952 
1 1 1 10  -4  30 o 158.6360 26.45049 714.5767       193.5464 1029.134       278.6067 421.1759       269.0741 183.3902 32.98938 109.6297 39.78885 73.76053       51.68609 
1 1 1 10  -4  31 o 93.20563 33.49466 277.9463       190.0950 239.4526       271.5207 314.9537       266.2274 89.76646 37.61495 96.44917 38.42798 -6.682716      53.77354 
1 1 1 10  -4  32 o 87.82651 35.77198 260.1097       236.2936 203.6089       468.5302 279.3827       273.6428 88.57480 41.88579 89.59975 37.66705 -1.024956      56.33139 
1 1 1 10  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -3  7  o 496.6601 7.455117 5912.421       177.0199 5573.204       253.6262 6234.628       247.1859 481.4364 11.01912 509.4300 10.14917 -27.99362      14.98088 
1 1 1 10  -3  8  o 351.2973 7.390885 2958.100       124.1308 2717.910       182.1199 3166.495       169.6388 335.9231 11.35623 362.9592 9.784878 -27.03610      14.99026 
1 1 1 10  -3  9  o 320.5346 7.483446 2463.150       114.6793 2520.152       174.2312 2419.579       152.3285 323.4320 11.28497 317.1590 10.05878 6.273010       15.11720 
1 1 1 10  -3  10 o 188.0250 8.366445 849.9867       75.01980 1037.014       132.2697 761.2905       91.08780 206.8412 13.44858 177.5754 10.78002 29.26575       17.23581 
1 1 1 10  -3  11 o 240.5140 8.759912 1390.721       100.5593 1306.120       188.1638 1424.544       118.9747 231.2004 17.14513 243.1700 10.25682 -11.96959      19.97894 
1 1 1 10  -3  12 o 185.7771 10.84797 833.6808       95.93021 841.9963       153.3981 828.3400       122.9354 185.1757 17.53611 184.5347 14.03986 0.6409912      22.46403 
1 1 1 10  -3  13 o 306.7940 9.399682 2264.826       137.7070 2274.612       271.4443 2261.435       159.7969 304.5128 18.73590 306.2098 10.93298 -1.696991      21.69249 
1 1 1 10  -3  14 o 312.7718 8.904908 2352.947       133.0219 2608.829       222.5971 2210.809       165.9037 327.8115 14.23718 302.5479 11.49063 25.26364       18.29568 
1 1 1 10  -3  15 o 302.7960 10.15642 2210.157       146.8196 2397.656       278.5806 2138.050       172.7597 312.3139 18.74365 297.2645 12.18182 15.04944       22.35444 
1 1 1 10  -3  16 o 124.1655 18.25117 384.8993       105.1123 386.5969       210.9082 384.3383       121.2425 120.2211 34.74480 123.1587 21.36544 -2.937607      40.78827 
1 1 1 10  -3  17 o 226.5728 12.51804 1245.312       135.0708 1515.162       248.5158 1132.177       160.9129 246.7561 21.27329 215.0762 15.75851 31.67989       26.47421 
1 1 1 10  -3  18 o 336.8921 14.04390 2760.131       225.7010 2804.173       318.9677 2715.966       319.4116 336.7090 19.90331 331.1469 20.27252 5.562103       28.40980 
1 1 1 10  -3  19 o 322.2449 12.58172 2518.707       193.4636 2408.047       330.9244 2576.166       238.4581 310.2194 22.46486 324.7421 15.40298 -14.52271      27.23824 
1 1 1 10  -3  20 o 324.2870 14.64942 2566.383       226.5351 2530.712       336.7964 2595.855       306.1324 317.7828 22.30986 323.3804 19.89735 -5.597595      29.89372 
1 1 1 10  -3  21 o 181.2758 19.63764 822.4253       167.4766 963.6310       312.0753 765.3089       198.4785 187.3304 36.15482 172.5671 24.76611 14.76335       43.82387 
1 1 1 10  -3  22 o 253.1089 15.37379 1572.849       185.1586 1606.267       336.9342 1558.391       221.6227 247.7873 28.98912 250.4003 18.64661 -2.613007      34.46833 
1 1 1 10  -3  23 o 177.7559 17.26312 785.1324       144.8620 850.0999       334.3766 770.1213       160.7286 171.2354 41.32164 175.1185 19.52987 -3.883118      45.70441 
1 1 1 10  -3  24 o 295.9743 13.69273 2140.005       193.2298 1851.601       317.8431 2309.089       243.3678 268.5829 25.04147 305.8845 16.70510 -37.30154      30.10209 
1 1 1 10  -3  25 o 227.0333 16.23090 1275.378       175.0113 1277.626       270.1573 1273.752       229.7339 221.5592 25.99865 223.9411 21.73054 -2.381866      33.88430 
1 1 1 10  -3  26 o 61.64233 26.96820 -4.699189      151.1016 -88.70479      217.8377 73.19961       209.7705 66.55906 30.46232 78.11631 32.91744 -11.55725      44.84987 
1 1 1 10  -3  27 o 219.2757 20.18329 1225.665       209.2157 955.1799       406.0376 1323.435       244.1163 169.5284 47.95871 225.9372 22.91622 -56.40877      53.15252 
1 1 1 10  -3  28 o 83.83295 33.26855 151.6001       198.7715 -309.7724      407.1428 295.9815       227.7594 78.88046 37.78632 102.3609 36.67776 -23.48046      52.65989 
1 1 1 10  -3  29 o 166.3590 23.73649 736.7157       183.4392 590.7848       274.3975 854.6334       246.6584 136.3569 39.69658 173.7060 30.83023 -37.34911      50.26252 
1 1 1 10  -3  30 o 62.84170 28.26209 -20.23876      177.7501 -3.063496      265.4474 -34.20051      239.3298 75.22312 34.11587 70.29312 32.07940 4.930000       46.82927 
1 1 1 10  -3  31 o 138.7125 34.23009 609.5091       225.5951 688.8199       465.8839 585.2162       257.8404 123.1453 50.20222 130.6738 38.60089 -7.528465      63.32686 
1 1 1 10  -3  32 o 90.49957 33.31222 256.6282       189.6046 -33.48265      284.5621 488.2617       254.2703 72.57008 33.77615 116.2266 38.90102 -43.65648      51.51813 
1 1 1 10  -3  33 o 55.36055 24.27670 20.20277       123.0844 461.4308       217.2349 -188.4193      149.3751 112.8024 35.84082 44.96029 21.86330 67.84207       41.98295 
1 1 1 10  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -2  7  o 277.1250 6.805619 1839.260       90.16786 1991.476       130.0538 1698.369       125.1224 287.9601 9.459588 265.8456 9.861671 22.11447       13.66515 
1 1 1 10  -2  8  o 422.7921 7.225183 4282.362       146.0441 4400.068       210.3538 4172.827       202.9218 428.0840 10.27810 416.9005 10.18094 11.18341       14.46689 
1 1 1 10  -2  9  o 117.4991 9.233918 333.2758       51.45499 460.3973       87.50652 266.0934       63.61489 137.5923 13.47523 104.3275 13.03800 33.26480       18.75023 
1 1 1 10  -2  10 o 299.8242 7.682638 2156.107       110.0341 2301.415       168.6524 2048.411       145.1930 309.1492 11.43048 291.8207 10.42364 17.32855       15.46958 
1 1 1 10  -2  11 o 273.2938 8.278488 1792.966       108.0409 1885.128       170.0674 1730.602       139.8987 279.4365 12.76374 268.0708 10.93878 11.36563       16.80982 
1 1 1 10  -2  12 o 87.25988 17.15365 190.9415       69.00922 281.0694       134.0741 158.4587       80.48994 104.5694 26.72208 79.12431 20.95052 25.44506       33.95576 
1 1 1 10  -2  13 o 293.8596 9.090248 2075.558       127.5561 1896.666       204.6079 2189.283       163.1384 279.4649 15.37315 301.3572 11.34337 -21.89227      19.10513 
1 1 1 10  -2  14 o 326.3773 9.183047 2561.007       143.1473 2434.918       228.0430 2642.997       183.8903 316.6864 15.10542 330.9940 11.63876 -14.30756      19.06920 
1 1 1 10  -2  15 o 187.4399 12.71058 852.1979       113.2294 1018.974       197.6312 770.7021       138.1517 202.7765 20.67480 177.3157 16.48557 25.46080       26.44280 
1 1 1 10  -2  16 o 78.53860 18.74790 156.8152       69.41691 167.0579       122.8872 152.0151       84.12428 82.63049 27.02039 77.40995 21.80563 5.220535       34.72157 
1 1 1 10  -2  17 o 201.8511 14.37169 993.0142       137.7835 1009.375       234.4033 984.3769       170.3128 199.7167 25.10261 199.8818 18.01552 -0.1651306     30.89822 
1 1 1 10  -2  18 o 197.0361 16.34290 952.4049       152.5675 1028.513       298.3329 925.4509       177.5398 197.7634 32.69490 193.1751 19.48988 4.588333       38.06326 
1 1 1 10  -2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -2  20 f 139.8033 19.04748 488.9649       124.0025 711.4672       198.6624 346.9428       158.7181 166.4306 25.80215 114.4798 28.97777 51.95086       38.80028 
1 1 1 10  -2  21 f 140.1910 19.43810 493.1331       126.7806 650.4397       202.6577 391.9826       162.5076 157.9111 27.86180 121.7115 28.44202 36.19957       39.81493 
1 1 1 10  -2  22 o 116.6748 23.21422 352.0098       124.9340 214.3216       201.6036 437.8522       159.1845 94.86047 34.43913 129.1365 26.66715 -34.27605      43.55675 
1 1 1 10  -2  23 o 51.24662 22.92859 -38.83262      115.3442 51.92019       192.8693 -89.36353      143.9169 75.16643 31.61253 53.42920 24.56653 21.73722       40.03582 
1 1 1 10  -2  24 o 88.67691 27.00402 205.1640       124.7614 159.5043       207.2810 231.1023       156.2300 88.15687 34.27473 94.12537 30.44389 -5.968506      45.84307 
1 1 1 10  -2  25 o 147.5296 20.52413 552.1262       140.8468 609.7978       230.5851 517.8021       177.8893 148.9341 33.22866 139.7040 27.61300 9.230118       43.20442 
1 1 1 10  -2  26 o 365.0013 16.25754 3285.893       282.9869 3495.447       418.5631 3109.456       384.0664 370.1037 23.78119 349.6191 23.10707 20.48465       33.15843 
1 1 1 10  -2  27 o 141.4153 22.44197 519.4507       146.6661 620.0481       245.8506 463.8675       182.7468 146.9362 35.41560 129.6342 30.07025 17.30205       46.45949 
1 1 1 10  -2  28 o 264.3134 18.22700 1757.324       228.9156 1817.496       432.7829 1733.949       269.7376 250.5750 37.25840 259.7020 21.92966 -9.127029      43.23307 
1 1 1 10  -2  29 o 208.1684 20.77742 1114.973       204.0237 849.3043       440.3297 1187.600       230.2286 153.4345 51.18892 213.2870 22.93817 -59.85254      56.09336 
1 1 1 10  -2  30 o 85.47529 33.51769 173.0622       199.6096 245.6597       267.0392 81.13517       300.4940 97.02695 38.54252 86.11211 37.84155 10.91485       54.01397 
1 1 1 10  -2  31 o 252.1976 19.83179 1655.801       237.1950 1702.935       343.8916 1613.028       327.5905 243.4123 30.19816 237.8214 29.43998 5.590912       42.17394 
1 1 1 10  -2  32 o 313.1730 15.79035 2495.231       235.6573 5079.393       388.0435 985.2917       296.6199 442.4098 18.38633 174.5502 36.71031 267.8596       41.05732 
1 1 1 10  -2  33 o 86.76871 32.18081 229.6774       177.5271 55.80590       494.9285 255.3509       190.1827 88.53715 42.20597 90.09838 33.32788 -1.561234      53.77816 
1 1 1 10  -2  34 o 74.02453 28.67192 155.7897       144.6347 276.4598       232.8188 79.95092       184.5711 89.03427 35.77890 68.48038 29.88592 20.55389       46.61864 
1 1 1 10  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -1  7  o 99.37984 7.926908 238.0803       37.35068 258.1324       53.94918 219.6208       51.76233 103.1123 11.11935 94.93439 11.64849 8.177940       16.10364 
1 1 1 10  -1  8  o 254.3246 7.241701 1550.239       87.96195 1558.338       126.3522 1542.623       122.5298 254.6339 10.40095 253.3792 10.13537 1.254745       14.52259 
1 1 1 10  -1  9  o 167.1571 8.432788 671.3563       67.17371 628.6566       99.40688 707.2398       91.12805 161.1548 13.01281 171.2532 11.19157 -10.09839      17.16346 
1 1 1 10  -1  10 o 157.2481 10.16771 595.9056       76.02959 383.6591       120.5250 736.1896       97.98524 123.9871 21.08682 174.6268 11.80597 -50.63971      24.16682 
1 1 1 10  -1  11 o 426.4117 9.945677 4364.292       202.7551 4541.042       461.4855 4322.012       225.7061 430.8113 22.48372 423.9760 11.14475 6.835297       25.09429 
1 1 1 10  -1  12 o 63.19128 21.33578 91.21880       76.47788 53.70395       122.3469 115.2782       97.97918 64.86210 25.98079 71.02042 24.14807 -6.158325      35.47014 
1 1 1 10  -1  13 o 242.6974 10.50543 1417.970       121.6067 1388.811       195.8397 1436.269       155.1402 238.7607 17.27331 243.7361 13.36477 -4.975372      21.83997 
1 1 1 10  -1  14 o 149.1172 14.81176 542.5377       104.2004 574.8713       170.2345 523.1652       131.7690 151.0743 24.40069 145.3387 19.45167 5.735596       31.20514 
1 1 1 10  -1  15 o 183.8109 13.85658 820.6336       120.8720 841.2087       197.5378 808.3194       152.8206 183.6399 23.00285 181.4790 17.84409 2.160934       29.11259 
1 1 1 10  -1  16 o 96.34848 19.81967 234.9769       88.24710 262.7780       201.9140 228.4125       98.11383 103.1763 34.66702 94.56368 22.10106 8.612633       41.11276 
1 1 1 10  -1  17 o 266.1815 12.33802 1713.914       156.5844 1880.026       247.9329 1603.695       201.9590 276.6814 18.85598 256.2398 16.57465 20.44153       25.10512 
1 1 1 10  -1  18 o 79.61247 32.11345 89.97816       188.3246 13.40232       314.2237 132.9027       235.2587 90.10477 39.16317 90.22941 36.06582 -0.1246338     53.23999 
1 1 1 10  -1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  -1  20 o 112.9251 30.66196 337.5325       169.7656 433.3546       220.1817 197.0607       266.5894 126.7085 35.12724 99.51751 38.81939 27.19100       52.35330 
1 1 1 10  -1  21 o 115.0257 35.52816 353.5357       214.9966 108.7828       352.3481 498.7169       271.3709 100.1597 42.45596 134.2561 39.58554 -34.09641      58.04760 
1 1 1 10  -1  22 o 210.8227 18.96703 1102.698       189.1308 839.0050       250.2877 1453.692       288.7618 178.5697 30.40581 238.8887 25.68651 -60.31905      39.80339 
1 1 1 10  -1  23 o 78.48084 27.64007 144.0157       128.8422 109.1834       205.6060 166.5380       165.3298 83.04957 33.53509 85.45915 31.16332 -2.409584      45.77941 
1 1 1 10  -1  24 o 79.11794 27.88383 147.7818       131.1417 356.5138       211.6160 17.63728       167.0963 114.2113 35.24271 67.62981 28.96910 46.58150       45.62080 
1 1 1 10  -1  25 o 48.98057 22.81868 -105.3856      130.3692 -183.4915      213.0345 -58.62214      164.8394 60.85131 28.61201 60.18793 27.12956 0.6633759      39.42917 
1 1 1 10  -1  26 o 234.5443 18.91578 1372.402       210.3103 1345.030       285.8333 1404.711       310.5492 227.5425 26.78761 231.2695 28.70261 -3.726974      39.26087 
1 1 1 10  -1  27 o 167.9959 25.47873 736.6844       198.2247 304.4725       260.3617 1332.677       305.7379 107.5387 39.12338 224.1647 29.22319 -116.6261      48.83271 
1 1 1 10  -1  28 o 184.7399 19.80849 866.3006       172.2239 605.2910       276.1447 1032.453       220.3237 142.4370 39.28171 199.5580 23.54601 -57.12105      45.79811 
1 1 1 10  -1  29 o 183.0099 23.51834 875.7477       201.0225 500.0833       464.3067 962.4095       223.0073 125.7958 50.53533 190.9113 25.03585 -65.11549      56.39693 
1 1 1 10  -1  30 o 140.9600 38.94168 612.2375       271.1221 743.1995       476.8575 549.6804       329.5750 141.6575 52.70348 129.7213 44.28521 11.93619       68.83921 
1 1 1 10  -1  31 o 221.0403 23.74360 1296.231       246.9860 1035.243       350.6465 1553.223       347.9510 179.7838 41.61817 233.2835 32.04370 -53.49969      52.52495 
1 1 1 10  -1  32 f 129.0289 29.58494 487.6148       178.6005 842.1166       322.8934 331.3457       214.3810 156.0703 42.24879 102.7804 35.69170 53.28992       55.30694 
1 1 1 10  -1  33 o 65.50249 28.55893 39.96276       168.1982 222.8741       316.2717 -32.17112      198.6139 91.38168 39.50554 63.80527 29.15853 27.57640       49.10099 
1 1 1 10  -1  34 o 38.59213 19.36386 -385.3568      155.5228 -253.8817      175.7029 -861.1119      334.2327 47.17990 23.10830 52.32812 26.51214 -5.148216      35.16941 
1 1 1 10  -1  35 o 45.69301 22.41384 -235.8140      167.2296 -358.6151      320.0632 -189.7014      196.1302 60.61344 29.97490 52.30618 25.34586 8.307262       39.25439 
1 1 1 10  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0   6  o 87.85186 12.91749 189.2895       52.63612 0.000000       0.000000 189.2895       52.63612 ?        ?        87.85186 12.91749 0.000000       12.91749 
1 1 1 10  0   7  o 353.1805 7.234119 2986.372       122.1492 3036.807       170.4182 2933.084       175.1699 355.7567 10.02971 349.5612 10.49349 6.195557       14.51579 
1 1 1 10  0   8  o 50.57495 14.87887 62.53297       38.37385 69.41827       49.68845 52.35725       60.40546 54.09360 17.13564 51.62436 18.83499 2.469246       25.46344 
1 1 1 10  0   9  o 318.8554 7.634767 2434.790       116.3853 2381.107       163.5673 2489.841       165.6395 314.8378 10.88315 321.9697 10.77588 -7.131927      15.31544 
1 1 1 10  0   10 o 228.6484 9.453197 1255.536       103.1140 1319.311       132.0496 1155.884       165.0643 234.0916 11.83736 218.4198 15.91636 15.67181       19.83566 
1 1 1 10  0   11 o 264.0613 8.909007 1673.359       112.3104 1607.120       161.6670 1735.145       156.1391 258.1778 13.14090 268.4445 12.19790 -10.26669      17.92963 
1 1 1 10  0   12 o 352.7450 8.588308 2982.739       144.8361 2950.469       207.7462 3013.257       202.0317 350.0798 12.43219 353.8827 11.95848 -3.802917      17.25006 
1 1 1 10  0   13 o 143.0710 14.82100 498.8580       99.91000 442.4076       147.3683 546.8742       135.9139 132.5357 24.14685 148.8708 19.56960 -16.33507      31.08118 
1 1 1 10  0   14 o 317.4244 10.91469 2424.132       165.3916 2280.380       283.1361 2498.590       203.7717 305.7082 19.47347 321.7770 13.27437 -16.06882      23.56746 
1 1 1 10  0   15 o 364.7922 9.816358 3198.089       171.0446 3181.056       251.5203 3212.743       233.2939 362.6693 14.53565 364.7911 13.39953 -2.121857      19.76949 
1 1 1 10  0   16 o 189.3507 14.10716 870.6294       126.7893 832.1906       214.5555 891.2554       157.1673 181.9845 25.34712 190.8254 17.41919 -8.840927      30.75556 
1 1 1 10  0   17 o 53.59193 22.16261 22.34345       92.48198 -128.0140      212.2563 57.57634       102.7478 65.41586 29.98786 61.28955 24.04336 4.126301       38.43638 
1 1 1 10  0   18 o 334.7170 13.81108 2714.679       220.5362 2769.900       338.8401 2674.095       290.4847 335.0583 21.26239 330.4612 18.45967 4.597168       28.15757 
1 1 1 10  0   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0   20 o 119.3506 27.12221 371.4192       151.2336 2.185979       358.4306 451.3897       166.8090 94.43130 41.41832 131.7412 27.37917 -37.30994      49.64973 
1 1 1 10  0   21 o 292.8952 15.50530 2093.348       216.3470 2226.535       325.8444 1988.343       289.3230 298.5172 23.00883 282.7604 21.56475 15.75681       31.53482 
1 1 1 10  0   22 o 254.4533 17.54705 1592.657       212.1548 1835.719       299.5692 1348.087       300.4975 270.3937 23.40373 229.0349 28.02621 41.35883       36.51305 
1 1 1 10  0   23 o 230.8694 18.57978 1319.033       203.3457 1771.372       403.0957 1164.629       235.5079 258.7766 33.35686 214.7553 23.31137 44.02132       40.69521 
1 1 1 10  0   24 o 213.2961 19.62031 1134.190       197.8368 1381.357       410.9376 1059.621       225.7159 222.4909 40.10786 204.2891 23.54038 18.20186       46.50581 
1 1 1 10  0   25 o 62.64606 28.36763 -72.31923      182.6725 -235.8594      238.6365 159.1329       283.8933 62.63691 29.70045 95.87117 39.14893 -33.23426      49.14016 
1 1 1 10  0   26 o 320.7524 16.21857 2532.683       247.9014 2857.946       377.8841 2286.940       328.4598 335.3748 23.72089 300.3568 23.04984 35.01807       33.07531 
1 1 1 10  0   27 f 125.6140 26.86296 419.0419       156.4403 -0.2768370E-03 268.4322 634.5729       192.5133 81.03784 35.68318 155.3011 26.90263 -74.26329      44.68826 
1 1 1 10  0   28 o 79.81593 32.88840 92.36660       202.6716 348.3406       266.0684 -261.4535      312.8143 112.5002 39.71125 71.97947 34.09343 40.52074       52.33875 
1 1 1 10  0   29 o 129.0178 28.14030 454.0356       168.6765 852.2569       287.3401 244.6553       208.3540 172.0766 36.08204 96.65255 35.02216 75.42405       50.28384 
1 1 1 10  0   30 o 156.5107 24.81586 650.6730       179.4989 668.7635       305.2004 641.1064       221.9425 146.0977 41.66286 150.7176 31.80250 -4.619934      52.41367 
1 1 1 10  0   31 o 73.81795 34.09655 -97.58948      281.7656 19.08150       502.9406 -150.9593      340.1599 98.73203 45.58639 77.89274 36.47480 20.83929       58.38261 
1 1 1 10  0   32 o 107.1095 34.77872 346.8423       203.7714 132.6906       527.2476 384.4466       220.9390 101.6836 46.85074 111.6449 36.21130 -9.961311      59.21360 
1 1 1 10  0   33 o 169.5794 32.54631 868.1655       254.2730 914.1973       347.6580 815.2192       372.8556 158.7665 44.18690 144.1537 47.06158 14.61276       64.55443 
1 1 1 10  0   34 o 114.6969 25.79709 379.8844       138.0204 505.7916       200.9662 267.4790       189.8854 126.0480 32.97614 92.38360 33.43971 33.66437       46.96424 
1 1 1 10  0   35 o 43.40440 20.89302 -142.9167      127.9416 -167.7092      185.0910 -120.2315      177.0502 52.43388 25.21131 53.73032 25.50779 -1.296448      35.86444 
1 1 1 10  0   36 o 170.3141 24.25872 851.8488       191.9496 933.0327       235.7423 692.1461       330.6422 170.4513 30.02509 119.1281 43.96599 51.32322       53.24015 
1 1 1 10  1   0  o 444.9182 7.201388 4738.555       153.1809 0.000000       0.000000 4738.555       153.1809 ?        ?        444.9182 7.201388 0.000000       7.201388 
1 1 1 10  1   1  o 525.7836 10.42851 6627.515       262.1427 0.000000       0.000000 6627.515       262.1427 ?        ?        525.7836 10.42851 0.000000       10.42851 
1 1 1 10  1   2  o 172.5352 6.999732 713.6878       57.61889 0.000000       0.000000 713.6878       57.61889 ?        ?        172.5352 6.999732 0.000000       6.999732 
1 1 1 10  1   3  f 556.3712 7.208994 7409.760       191.7554 0.000000       0.000000 7409.760       191.7554 ?        ?        556.3712 7.208994 0.000000       7.208994 
1 1 1 10  1   4  o 108.4984 8.275337 283.5404       42.60183 0.000000       0.000000 283.5404       42.60183 ?        ?        108.4984 8.275337 0.000000       8.275337 
1 1 1 10  1   5  o 162.8978 7.348385 636.5200       57.08156 0.000000       0.000000 636.5200       57.08156 ?        ?        162.8978 7.348385 0.000000       7.348385 
1 1 1 10  1   6  o 302.1001 7.116848 2184.604       102.7891 2044.467       139.2382 2352.445       152.3806 291.8873 9.992538 313.1016 10.19331 -21.21432      14.27426 
1 1 1 10  1   7  o 257.3923 7.596173 1587.564       93.37342 1497.878       125.2587 1699.731       140.0810 249.7249 10.51503 265.9854 11.03972 -16.26050      15.24603 
1 1 1 10  1   8  o 314.2846 8.925044 2368.311       133.9682 2417.297       154.4224 2219.266       269.3588 317.3763 10.19039 302.6569 18.70682 14.71939       21.30232 
1 1 1 10  1   9  o 276.4505 8.147537 1831.957       107.5667 1769.400       143.5555 1912.046       162.4321 271.3628 11.08861 281.9745 12.07704 -10.61172      16.39549 
1 1 1 10  1   10 o 236.0072 10.33272 1338.216       116.3039 1315.611       174.9806 1356.106       155.6656 233.2150 15.78673 237.1187 13.79104 -3.903671      20.96219 
1 1 1 10  1   11 o 480.9823 8.230153 5541.791       189.2542 5644.168       261.5692 5429.315       274.1666 484.9572 11.28171 475.3503 12.07380 9.606903       16.52434 
1 1 1 10  1   12 o 483.5687 10.74428 5611.128       248.3955 5511.840       273.8751 6071.485       589.7289 479.0538 11.95803 498.3369 24.83083 -19.28308      27.56020 
1 1 1 10  1   13 o 208.4176 11.95548 1047.050       118.6271 1121.859       164.9670 966.9435       170.7083 215.0416 16.16429 199.1601 18.12692 15.88150       24.28723 
1 1 1 10  1   14 o 131.6286 16.24585 424.5870       100.0681 447.0715       120.7380 375.2552       178.8404 134.4640 19.33685 120.7841 30.86078 13.67992       36.41842 
1 1 1 10  1   15 o 324.2610 10.71937 2528.552       165.9491 2624.188       199.5688 2314.227       298.7561 329.9536 12.67476 307.7624 20.42001 22.19122       24.03386 
1 1 1 10  1   16 o 249.1229 13.01204 1499.326       154.4398 1632.136       218.6663 1367.135       218.1562 258.8026 17.78082 236.2922 19.48421 22.51039       26.37788 
1 1 1 10  1   17 o 311.0437 12.89076 2336.335       191.2785 2304.090       292.9865 2360.289       252.5193 306.6838 20.09310 311.4738 17.02231 -4.790009      26.33423 
1 1 1 10  1   18 o 296.5718 15.26373 2135.701       215.6927 2357.429       299.3142 1896.171       311.0979 309.8079 20.32032 276.3218 23.78015 33.48605       31.27956 
1 1 1 10  1   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  1   20 o 252.6424 17.85823 1566.144       214.3114 1887.585       338.8952 1351.933       276.6535 273.5881 26.23047 231.5767 25.40466 42.01140       36.51622 
1 1 1 10  1   21 o 377.3294 16.73642 3478.861       301.1686 3820.438       423.9404 3130.841       427.9209 391.9302 22.72238 352.8709 25.53806 39.05933       34.18331 
1 1 1 10  1   22 o 143.5189 28.75532 538.8074       190.4227 466.2220       346.4132 570.2377       227.9520 131.3692 45.38305 145.8553 33.40939 -14.48618      56.35431 
1 1 1 10  1   23 o 360.8537 16.72679 3189.370       287.7855 3487.470       405.4113 2886.581       408.5877 373.5830 22.80735 337.9452 25.47655 35.63788       34.19400 
1 1 1 10  1   24 o 211.4465 18.44400 1107.461       184.5865 1019.953       259.3145 1197.344       262.8101 198.3868 28.12818 216.3907 25.91862 -18.00383      38.24878 
1 1 1 10  1   25 o 312.5041 18.14903 2413.418       269.9882 2519.627       420.1595 2338.717       352.3663 312.0794 28.47382 303.5998 24.48392 8.479675       37.55291 
1 1 1 10  1   26 o 230.4201 21.42933 1337.428       233.3623 1053.163       413.8036 1469.995       282.5851 187.4199 46.42461 239.4855 25.05110 -52.06561      52.75227 
1 1 1 10  1   27 o 135.2938 25.85428 481.0461       161.1369 536.0825       264.8566 448.7034       203.0363 136.7677 38.74839 127.4841 33.04361 9.283539       50.92463 
1 1 1 10  1   28 o 93.35264 30.61241 227.6015       157.6824 90.50450       266.7945 301.1996       195.4774 87.58694 37.02665 105.4614 34.04906 -17.87451      50.30220 
1 1 1 10  1   29 o 317.5815 17.74881 2510.064       268.4117 1372.369       403.8735 3410.096       359.2209 217.2854 40.36374 367.9309 20.50255 -150.6455      45.27235 
1 1 1 10  1   30 o 78.14983 30.29145 129.4373       161.5227 401.0090       285.8646 2.072294       195.7687 116.3773 41.15461 69.53094 30.54977 46.84641       51.25417 
1 1 1 10  1   31 o 123.4902 29.87441 429.2444       174.4391 593.7485       304.5789 348.9469       212.7956 136.3441 42.31635 109.2447 35.54551 27.09947       55.26443 
1 1 1 10  1   32 o 67.30278 28.89299 35.97339       166.9041 279.9298       301.4340 -71.88858      200.4334 101.9765 40.80305 63.74857 29.19257 38.22793       50.17066 
1 1 1 10  1   33 o 222.3739 20.20780 1289.762       212.4943 1576.840       360.2218 1136.549       263.1581 230.3596 33.70541 201.1855 28.12737 29.17412       43.89993 
1 1 1 10  1   34 o 118.1860 34.67882 453.0757       208.6925 656.8621       587.6251 423.6626       223.2457 116.6448 52.00014 112.6185 36.38953 4.026268       63.46820 
1 1 1 10  1   35 o 140.5288 31.28374 613.8164       204.7748 727.6887       608.4479 599.2708       217.4604 114.2307 51.74479 136.1183 33.61756 -21.88758      61.70626 
1 1 1 10  1   36 o 145.3329 30.35172 673.2179       204.0746 904.9101       498.9817 626.6793       223.6330 119.5087 50.58464 134.2856 34.61440 -14.77695      61.29406 
1 1 1 10  2   0  o 167.5342 7.727505 673.3875       61.72764 0.000000       0.000000 673.3875       61.72764 ?        ?        167.5342 7.727505 0.000000       7.727505 
1 1 1 10  2   1  o 78.37573 9.190573 149.1599       33.78415 0.000000       0.000000 149.1599       33.78415 ?        ?        78.37573 9.190573 0.000000       9.190573 
1 1 1 10  2   2  o 209.5650 7.133533 1052.382       71.36712 0.000000       0.000000 1052.382       71.36712 ?        ?        209.5650 7.133533 0.000000       7.133533 
1 1 1 10  2   3  f 267.6935 7.075706 1716.340       90.47635 0.000000       0.000000 1716.340       90.47635 ?        ?        267.6935 7.075706 0.000000       7.075706 
1 1 1 10  2   4  o 222.5967 7.240448 1187.263       76.95100 0.000000       0.000000 1187.263       76.95100 ?        ?        222.5967 7.240448 0.000000       7.240448 
1 1 1 10  2   5  o 310.4495 7.165352 2306.880       106.3498 0.000000       0.000000 2306.880       106.3498 ?        ?        310.4495 7.165352 0.000000       7.165352 
1 1 1 10  2   6  o 230.6182 7.568178 1274.576       83.33064 0.000000       0.000000 1274.576       83.33064 ?        ?        230.6182 7.568178 0.000000       7.568178 
1 1 1 10  2   7  o 239.5357 13.05000 1381.645       148.8832 0.000000       0.000000 1381.645       148.8832 ?        ?        239.5357 13.05000 0.000000       13.05000 
1 1 1 10  2   8  o 371.9233 11.83628 3322.167       210.1956 0.000000       0.000000 3322.167       210.1956 ?        ?        371.9233 11.83628 0.000000       11.83628 
1 1 1 10  2   9  o 629.1701 11.86210 9498.670       356.8109 0.000000       0.000000 9498.670       356.8109 ?        ?        629.1701 11.86210 0.000000       11.86210 
1 1 1 10  2   10 o 222.7874 16.02424 1200.987       169.5375 0.000000       0.000000 1200.987       169.5375 ?        ?        222.7874 16.02424 0.000000       16.02424 
1 1 1 10  2   11 o 567.4409 12.35628 7730.898       335.2099 0.000000       0.000000 7730.898       335.2099 ?        ?        567.4409 12.35628 0.000000       12.35628 
1 1 1 10  2   12 o 120.9074 21.53330 364.5515       119.9081 0.000000       0.000000 364.5515       119.9081 ?        ?        120.9074 21.53330 0.000000       21.53330 
1 1 1 10  2   13 o 77.11475 21.11622 148.7705       80.12042 146.9950       89.23341 156.1553       181.9880 77.12077 22.68917 88.38041 32.61813 -11.25964      39.73337 
1 1 1 10  2   14 o 215.0005 12.31304 1114.431       126.0355 933.4379       169.3211 1339.316       188.7379 195.6370 18.31600 234.9378 16.91669 -39.30080      24.93292 
1 1 1 10  2   15 o 292.0326 13.69884 2057.853       190.7267 2322.712       265.4525 1775.215       274.2176 309.2704 18.03133 269.3111 21.47547 39.95932       28.04148 
1 1 1 10  2   16 o 196.2834 14.98597 935.0348       139.5664 755.6065       217.5708 1060.493       181.9300 173.2036 27.16743 208.3388 18.45598 -35.13521      32.84345 
1 1 1 10  2   17 o 175.2790 14.46638 746.5074       120.1483 744.2506       166.2015 748.9777       173.8897 173.6376 20.41017 173.9385 21.35860 -0.3009033     29.54259 
1 1 1 10  2   18 o 102.3494 24.42135 268.0396       117.8271 179.6473       138.0672 504.9762       226.0473 86.50438 28.65802 138.5818 34.30367 -52.07742      44.69926 
1 1 1 10  2   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  2   20 o 314.7444 16.49916 2415.264       247.4052 2316.398       308.5268 2593.359       414.0888 306.2776 21.20107 320.9017 27.24803 -14.62411      34.52449 
1 1 1 10  2   21 o 228.2785 23.01316 1302.880       247.7348 1340.231       311.8348 1238.969       407.9017 228.6115 29.19648 212.6184 41.61836 15.99313       50.83820 
1 1 1 10  2   22 o 177.5950 20.65657 786.9144       172.1178 845.5775       226.2557 706.3348       265.1730 181.6934 26.85470 162.0556 35.23294 19.63777       44.30051 
1 1 1 10  2   23 o 135.5853 31.57614 489.7133       200.8530 370.4524       345.4344 550.6279       246.8751 121.6718 44.93267 142.1337 36.22842 -20.46198      57.71866 
1 1 1 10  2   24 o 161.0382 26.98196 671.6772       200.3937 698.2906       230.6734 589.7984       404.6070 162.4810 30.82261 143.3495 49.06467 19.13144       57.94286 
1 1 1 10  2   25 o 175.4633 21.78926 776.7499       178.8577 669.5900       242.8895 903.6902       264.3579 157.4610 33.30634 184.8767 31.00571 -27.41563      45.50457 
1 1 1 10  2   26 o 144.1302 31.69820 561.6758       212.4702 593.9224       373.0042 546.1876       258.5081 141.7794 47.10844 139.2772 37.84474 2.502258       60.42706 
1 1 1 10  2   27 o 229.6039 26.80885 1367.751       288.7516 1535.866       401.0210 1186.747       416.1097 235.8535 36.76258 200.4983 44.56510 35.35522       57.77141 
1 1 1 10  2   28 o 334.4576 17.31695 2766.859       275.9557 2753.863       387.4303 2780.243       393.1532 327.8972 24.90042 329.2362 25.16810 -1.338928      35.40430 
1 1 1 10  2   29 o 194.2579 21.62724 959.6146       197.4558 965.0948       277.4947 953.9939       281.0281 188.5612 31.91947 186.9705 32.62501 1.590744       45.64257 
1 1 1 10  2   30 f 334.9444 17.78155 2800.058       283.7212 2992.689       405.0470 2614.497       397.5431 339.2961 25.14877 315.5508 26.59901 23.74527       36.60557 
1 1 1 10  2   31 o 98.50568 33.33550 268.7653       186.6980 670.0688       267.5613 -112.0345      260.6365 149.9410 37.44048 70.90178 32.76503 79.03918       49.75275 
1 1 1 10  2   32 o 58.18426 27.82702 -223.6475      218.8672 -241.6695      262.6674 -182.7158      395.8540 64.05184 30.59263 82.12799 38.73513 -18.07615      49.35909 
1 1 1 10  2   33 f 163.7690 24.45538 722.1505       185.6183 1144.443       296.3407 449.4983       238.1164 199.3260 32.19381 119.8166 37.45157 79.50941       49.38686 
1 1 1 10  2   34 o 90.45292 35.62603 231.2777       226.3719 278.3694       286.1608 152.5282       370.0511 96.68438 39.37120 91.31343 40.94571 5.370949       56.80355 
1 1 1 10  2   35 o 83.71397 33.23295 196.0517       198.4123 -265.2374      461.8776 300.4401       219.7184 77.93192 38.01866 95.96750 35.76121 -18.03558      52.19466 
1 1 1 10  2   36 o 106.9080 35.22153 401.4554       208.6442 704.3682       480.0646 330.9127       231.6685 113.8919 48.94916 96.50359 36.55814 17.38835       61.09433 
1 1 1 10  2   37 o 92.72452 35.85413 331.3448       225.8859 -317.4034      823.0673 384.1884       234.9056 81.70509 41.41871 97.99983 36.88180 -16.29474      55.45968 
1 1 1 10  3   0  o 648.2492 10.88258 10074.69       337.2734 10074.69       337.2734 0.000000       0.000000 648.2492 10.88258 ?        ?        0.000000       10.88258 
1 1 1 10  3   1  o 906.2585 8.644200 19668.79       374.5288 0.000000       0.000000 19668.79       374.5288 ?        ?        906.2585 8.644200 0.000000       8.644200 
1 1 1 10  3   2  f 251.1034 7.320359 1510.493       87.78686 0.000000       0.000000 1510.493       87.78686 ?        ?        251.1034 7.320359 0.000000       7.320359 
1 1 1 10  3   3  o 494.2152 7.360582 5846.333       173.9148 0.000000       0.000000 5846.333       173.9148 ?        ?        494.2152 7.360582 0.000000       7.360582 
1 1 1 10  3   4  o 332.1454 7.205628 2640.493       114.4217 0.000000       0.000000 2640.493       114.4217 ?        ?        332.1454 7.205628 0.000000       7.205628 
1 1 1 10  3   5  o 356.0725 7.185365 3034.625       122.3195 0.000000       0.000000 3034.625       122.3195 ?        ?        356.0725 7.185365 0.000000       7.185365 
1 1 1 10  3   6  o 267.4983 7.298167 1714.013       93.24750 0.000000       0.000000 1714.013       93.24750 ?        ?        267.4983 7.298167 0.000000       7.298167 
1 1 1 10  3   7  o 435.6559 9.476985 4547.161       197.3886 4567.743       217.5287 4451.194       469.7075 436.5383 10.42283 428.0921 23.03479 8.446259       25.28314 
1 1 1 10  3   8  o 152.3111 9.989910 558.3254       72.34317 488.0495       93.45901 663.3771       114.2666 141.8620 13.96060 165.5095 14.58990 -23.64749      20.19316 
1 1 1 10  3   9  o 406.2315 8.141833 3951.573       158.1263 3709.763       207.5302 4286.266       244.1565 393.1688 11.05159 422.4773 12.10052 -29.30850      16.38781 
1 1 1 10  3   10 o 109.3576 12.34868 290.6392       63.43420 291.8665       78.01948 288.2455       108.9587 109.1031 15.38396 107.2197 21.99426 1.883347       26.84052 
1 1 1 10  3   11 o 840.1492 8.914849 16909.87       358.0790 16094.23       492.3822 17825.48       521.6878 818.7520 12.57887 861.6384 12.66419 -42.88641      17.84964 
1 1 1 10  3   12 o 203.7689 11.92667 999.9650       115.6812 1299.238       159.9798 672.0001       167.4732 231.9921 14.49638 165.1943 21.73173 66.79782       26.12304 
1 1 1 10  3   13 o 131.0574 13.91409 417.5336       85.85091 424.5950       111.1834 407.1066       135.1062 131.4155 18.18304 127.6279 22.98755 3.787575       29.30957 
1 1 1 10  3   14 o 506.5903 9.354713 6152.005       226.5665 6013.816       305.0495 6322.023       338.3601 500.1007 12.76909 512.5070 13.82190 -12.40631      18.81740 
1 1 1 10  3   15 o 199.1056 14.20720 959.1582       134.3499 969.4417       193.2857 949.5455       186.8752 198.8724 20.62830 196.9159 20.13314 1.956512       28.82482 
1 1 1 10  3   16 o 331.4771 13.60918 2650.076       215.2133 2772.646       320.7623 2549.726       290.2371 337.3644 19.97673 323.8141 18.82896 13.55029       27.45177 
1 1 1 10  3   17 o 282.1459 13.66486 1922.831       183.7782 2334.980       256.0237 1484.731       263.9614 310.0432 17.34138 245.4840 22.74980 64.55919       28.60554 
1 1 1 10  3   18 o 264.4531 15.15872 1695.658       190.8517 1537.529       256.5706 1891.541       285.5612 249.9169 21.68800 277.3716 21.70699 -27.45467      30.68490 
1 1 1 10  3   19 o 400.7133 16.89574 3903.570       322.9561 4051.101       449.1035 3745.577       464.7564 405.2229 23.27961 388.5858 25.15182 16.63712       34.27177 
1 1 1 10  3   20 o 296.6962 15.57355 2140.317       220.1327 2351.544       290.3938 1854.961       337.5246 309.4862 19.72898 271.9067 26.29195 37.57947       32.87095 
1 1 1 10  3   21 o 379.0236 17.64231 3511.748       318.8137 3511.748       318.8137 0.000000       0.000000 379.0236 17.64231 ?        ?        0.000000       17.64231 
1 1 1 10  3   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3   24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3   25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3   26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3   27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3   28 o 158.1601 38.35570 714.3120       287.0023 0.000000       0.000000 714.3120       287.0023 ?        ?        158.1601 38.35570 0.000000       38.35570 
1 1 1 10  3   29 o 268.9635 18.45537 1801.712       235.8763 2059.783       325.6975 1517.055       342.0629 283.6397 24.25055 238.4646 30.71626 45.17514       39.13538 
1 1 1 10  3   30 o 275.9363 21.00667 1927.425       275.0415 2345.221       340.0432 1136.927       467.7379 302.2541 23.72166 186.4365 51.00811 115.8175       56.25428 
1 1 1 10  3   31 o 192.6519 23.25866 966.4269       209.8927 1083.902       291.3748 839.7175       302.6101 197.4838 31.95182 168.0099 38.50043 29.47395       50.03201 
1 1 1 10  3   32 o 103.6469 33.77921 308.5050       192.1320 286.0737       268.5930 332.0107       274.9500 102.2496 39.21145 107.1953 39.99257 -4.945679      56.00842 
1 1 1 10  3   33 o 111.1704 38.05209 377.5415       243.3625 262.6974       287.3198 669.1166       457.8113 99.56339 39.83673 133.7950 51.22190 -34.23163      64.88951 
1 1 1 10  3   34 o 82.53766 33.13285 162.2266       199.4307 352.4448       286.0457 -17.69123      278.1933 104.9559 40.40972 75.67731 34.55547 29.27856       53.16978 
1 1 1 10  3   35 o 82.71545 33.19954 182.1176       200.2044 -61.70390      463.7641 237.9637       221.9512 84.95734 40.59742 89.51127 35.26992 -4.553932      53.77841 
1 1 1 10  3   36 o 73.63996 31.61998 104.1538       199.9730 82.27573       475.5714 108.8530       220.4052 87.87672 41.74347 75.66219 32.84344 12.21453       53.11506 
1 1 1 10  3   37 o 129.8754 35.91996 613.2458       230.5337 725.4237       511.8655 584.7015       258.2034 107.1098 48.08263 120.7371 39.14504 -13.62733      62.00221 
1 1 1 10  4   0  o 170.1523 6.895354 694.0042       55.97605 634.1959       76.44070 763.1583       82.19650 162.3912 9.892802 178.2141 9.683616 -15.82292      13.84341 
1 1 1 10  4   1  o 580.6371 7.602080 8070.279       211.0307 0.000000       0.000000 8070.279       211.0307 ?        ?        580.6371 7.602080 0.000000       7.602080 
1 1 1 10  4   2  o 313.5692 7.061537 2353.213       105.8622 0.000000       0.000000 2353.213       105.8622 ?        ?        313.5692 7.061537 0.000000       7.061537 
1 1 1 10  4   3  o 280.1123 8.512692 1880.570       113.8684 0.000000       0.000000 1880.570       113.8684 ?        ?        280.1123 8.512692 0.000000       8.512692 
1 1 1 10  4   4  o 416.9415 7.269648 4160.789       144.9095 0.000000       0.000000 4160.789       144.9095 ?        ?        416.9415 7.269648 0.000000       7.269648 
1 1 1 10  4   5  o 275.8618 6.936086 1822.364       91.40497 0.000000       0.000000 1822.364       91.40497 ?        ?        275.8618 6.936086 0.000000       6.936086 
1 1 1 10  4   6  o 601.6372 10.04312 8673.709       288.8761 0.000000       0.000000 8673.709       288.8761 ?        ?        601.6372 10.04312 0.000000       10.04312 
1 1 1 10  4   7  o 576.3210 7.703114 7951.273       212.2458 7738.840       295.0762 8179.008       305.5179 568.1635 10.86307 584.0859 10.94086 -15.92242      15.41780 
1 1 1 10  4   8  o 880.8564 8.754276 18582.89       368.6666 18606.19       515.1538 18558.44       527.8235 880.6121 12.23613 879.3956 12.55440 1.216492       17.53100 
1 1 1 10  4   9  o 561.4033 10.11916 7553.516       271.5987 7567.357       291.8090 7463.849       742.7246 561.8068 10.86434 552.5849 28.20718 9.221863       30.22712 
1 1 1 10  4   10 o 403.6193 9.509402 3903.331       183.4989 3889.952       204.5706 3958.421       415.1190 402.6703 10.63569 403.9568 21.57284 -1.286499      24.05214 
1 1 1 10  4   11 o 550.7808 19.54937 7334.442       513.9615 7380.686       724.7880 7287.668       728.9324 549.4205 27.68211 545.7857 28.02940 3.634827       39.39476 
1 1 1 10  4   12 o 390.5441 10.43307 3659.597       194.6262 3426.028       374.1222 3746.262       227.8910 375.7494 20.90849 394.8957 12.08503 -19.14627      24.14981 
1 1 1 10  4   13 o 369.5160 14.53863 3288.950       256.3401 3382.296       359.2138 3192.087       365.9185 373.4257 20.19573 362.4722 21.20815 10.95355       29.28571 
1 1 1 10  4   14 o 389.4068 15.01888 3655.272       279.0836 3659.778       391.5931 3650.621       397.8489 388.0551 21.18771 387.4547 21.56281 0.6004028      30.23034 
1 1 1 10  4   15 o 232.5769 11.76133 1302.281       130.3524 1365.949       180.1332 1232.288       188.8693 237.5148 15.95591 225.2034 17.68371 12.31143       23.81816 
1 1 1 10  4   16 o 155.1824 13.06016 583.3093       95.99622 659.4592       119.0269 441.6038       162.3692 164.6922 15.29159 131.9664 26.65429 32.72581       30.72920 
1 1 1 10  4   17 o 261.9135 14.26044 1658.400       177.8926 1537.281       249.1998 1784.255       254.0258 250.4826 21.00273 270.3304 19.79223 -19.84785      28.85909 
1 1 1 10  4   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4   19 o 231.1776 14.29995 1295.575       157.2742 1198.346       211.1575 1416.717       235.6994 220.7465 20.23284 239.9981 20.74546 -19.25162      28.97830 
1 1 1 10  4   20 o 191.3146 15.29887 891.9809       138.7664 806.1931       183.3541 1006.997       212.3040 180.0467 21.74049 201.2477 22.44750 -21.20100      31.24963 
1 1 1 10  4   21 o ?        ?        -373.9037      96.99031 -426.8213      125.9486 -296.7962      152.0345 32.57798 16.47959 43.38337 21.29924 -10.80539      26.93018 
1 1 1 10  4   22 o 159.4195 20.96707 635.7122       155.9339 919.8864       257.2899 470.7324       196.0405 188.7057 29.48257 133.4224 31.28011 55.28323       42.98450 
1 1 1 10  4   23 o 222.0873 16.99405 1210.785       179.0678 1272.721       220.8925 1092.062       305.8254 226.3499 20.63912 204.0091 32.44062 22.34076       38.44954 
1 1 1 10  4   24 o 227.0842 19.13368 1275.944       205.7967 1369.085       228.8993 883.1453       470.0676 234.6540 20.61291 171.4939 52.45448 63.16016       56.35925 
1 1 1 10  4   25 o 205.9888 22.27500 1067.195       215.8807 1102.205       286.4931 1021.200       328.3780 205.3995 30.06487 193.6373 36.81650 11.76224       47.53263 
1 1 1 10  4   26 o 90.32821 29.66085 206.7686       148.0111 196.4471       170.3773 238.5216       298.8350 90.19801 31.78304 105.0534 41.06499 -14.85538      51.92778 
1 1 1 10  4   27 o 186.0063 20.45322 870.0395       178.8876 834.9376       214.5264 950.1553       324.0965 179.6863 25.70360 184.2745 38.04853 -4.588135      45.91694 
1 1 1 10  4   28 o 184.9634 26.51674 892.0636       227.7865 1137.422       317.8359 632.9537       326.6213 204.4207 33.69434 145.9617 43.52796 58.45906       55.04536 
1 1 1 10  4   29 o 174.6692 22.12513 778.4156       180.6222 563.8068       219.1915 1232.452       318.8197 143.0290 32.76049 213.6683 32.21029 -70.63928      45.94292 
1 1 1 10  4   30 o 96.49691 33.39069 242.9443       187.5553 234.1172       202.1966 297.3586       502.0189 96.04449 34.54066 118.4063 50.45160 -22.36179      61.14263 
1 1 1 10  4   31 o 41.98193 21.07351 -501.0923      185.1505 -551.3552      198.9633 -176.3371      505.7401 43.05122 21.64217 93.94177 44.14389 -50.89055      49.16367 
1 1 1 10  4   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4   34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4   35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4   36 o 53.40284 25.82526 -210.7560      201.0389 -216.0864      406.9520 -209.0352      231.2239 74.82050 36.31510 57.82718 27.89866 16.99331       45.79434 
1 1 1 10  4   37 o 62.05443 28.87803 -41.43872      207.9054 -107.7435      425.5484 -20.65051      238.2786 76.18218 37.01290 66.50607 30.93815 9.676117       48.24027 
1 1 1 10  4   38 o 85.21033 34.59982 271.2872       220.2603 473.7570       451.5167 208.0585       252.3194 92.89841 42.99863 79.67081 34.85253 13.22760       55.34962 
1 1 1 10  5   0  o 159.7164 7.064075 611.6993       53.80682 580.5425       73.44554 647.7945       79.05209 155.3414 9.941575 164.1089 10.12494 -8.767502      14.18976 
1 1 1 10  5   1  o 362.9126 7.995314 3153.099       138.7222 3070.328       331.9310 3170.615       152.6967 356.2592 19.56336 363.8629 8.777758 -7.603699      21.44235 
1 1 1 10  5   2  o 418.4477 9.323160 4194.181       186.5145 0.000000       0.000000 4194.181       186.5145 ?        ?        418.4477 9.323160 0.000000       9.323160 
1 1 1 10  5   3  o 290.3074 7.202275 2017.081       99.96229 0.000000       0.000000 2017.081       99.96229 ?        ?        290.3074 7.202275 0.000000       7.202275 
1 1 1 10  5   4  o 201.4989 8.007624 973.5534       76.98727 0.000000       0.000000 973.5534       76.98727 ?        ?        201.4989 8.007624 0.000000       8.007624 
1 1 1 10  5   5  o 459.3100 9.498097 5053.768       208.5695 0.000000       0.000000 5053.768       208.5695 ?        ?        459.3100 9.498097 0.000000       9.498097 
1 1 1 10  5   6  o 582.2607 9.887341 8123.142       275.2361 0.000000       0.000000 8123.142       275.2361 ?        ?        582.2607 9.887341 0.000000       9.887341 
1 1 1 10  5   7  o 394.8840 6.737060 3731.578       127.1886 3811.765       193.3744 3670.438       168.8528 398.6992 10.15310 391.4660 9.022064 7.233185       13.58246 
1 1 1 10  5   8  o 147.1730 8.841348 520.6173       61.92242 515.3179       79.86296 528.6056       98.05276 146.1381 11.52392 147.6915 14.05586 -1.553467      18.17602 
1 1 1 10  5   9  o 39.50751 15.62544 20.34622       43.71006 46.07273       50.37200 -58.07542      87.94613 47.83892 17.23550 42.54202 19.42678 5.296894       25.97041 
1 1 1 10  5   10 o 273.8440 10.43627 1800.155       136.3833 1907.922       223.4490 1736.173       172.1733 281.0339 16.70612 268.5498 13.45296 12.48407       21.44939 
1 1 1 10  5   11 o 393.6387 10.70118 3717.864       201.2032 4187.661       421.3906 3579.130       228.9924 415.5641 21.28076 385.9672 12.42592 29.59686       24.64293 
1 1 1 10  5   12 o 170.6955 10.45970 701.1721       84.94926 702.5142       114.3065 699.5163       126.9602 170.3888 14.15990 169.7665 15.82481 0.6223297      21.23505 
1 1 1 10  5   13 o 207.6281 10.00127 1035.813       98.98524 1108.055       125.3760 916.2664       161.2816 214.4928 12.27754 194.1599 17.56447 20.33282       21.43009 
1 1 1 10  5   14 o 368.4215 14.66852 3270.695       257.8520 3429.000       360.6523 3105.157       368.7999 375.9392 20.13959 357.2671 21.69407 18.67215       29.60128 
1 1 1 10  5   15 o 493.5858 18.38289 5895.348       433.0374 6493.763       609.6638 5286.039       615.1884 515.5327 24.80861 463.6736 27.88035 51.85910       37.31998 
1 1 1 10  5   16 o 427.4578 16.83596 4418.766       343.3912 4731.699       478.8870 4087.568       492.6630 440.2585 22.82985 408.1042 25.37609 32.15436       34.13426 
1 1 1 10  5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  5   18 o 559.9812 20.59562 7647.330       550.4478 8571.722       776.2813 6712.532       780.6384 588.2717 27.67913 517.6067 31.69782 70.66498       42.08189 
1 1 1 10  5   19 o 162.1389 16.89172 643.8576       129.0215 719.1890       173.5646 550.8175       192.8894 170.1703 21.83648 146.6108 28.54618 23.55954       35.94046 
1 1 1 10  5   20 o 43.49576 20.43776 -110.3558      108.3781 156.6144       139.3754 -518.6760      172.3675 82.70147 28.77496 39.82345 20.03602 42.87802       35.06338 
1 1 1 10  5   21 o 96.24680 27.88027 237.6690       135.6584 275.1561       152.1051 91.90151       299.9391 103.1263 29.41344 94.73571 39.60442 8.390556       49.33214 
1 1 1 10  5   22 o 75.47372 25.76966 133.3888       111.5982 152.8688       142.5500 102.5477       179.3653 82.00504 29.05588 79.81255 31.62530 2.192490       42.94652 
1 1 1 10  5   23 o 60.41006 24.53050 42.78020       110.7183 -118.8250      137.9583 335.2297       185.5862 50.20351 23.41674 112.5585 32.61095 -62.35503      40.14745 
1 1 1 10  5   24 o 236.3165 16.01805 1367.272       179.9028 1641.978       266.0408 1135.815       244.2017 256.5429 21.90024 211.8808 24.56179 44.66206       32.90748 
1 1 1 10  5   25 o 259.1980 14.86836 1640.450       183.4751 1794.971       250.9975 1463.141       268.8695 269.1079 19.64429 240.8884 23.65082 28.21957       30.74507 
1 1 1 10  5   26 o 179.4180 19.91033 805.0483       167.9142 743.4499       273.7980 842.1827       212.5854 164.7498 35.78753 181.2465 25.21511 -16.49672      43.77840 
1 1 1 10  5   27 o 174.7065 17.63907 758.4924       145.3151 928.1301       197.4352 557.9708       214.6564 191.5448 21.95625 143.4088 32.10920 48.13605       38.89830 
1 1 1 10  5   28 o 206.4493 19.76772 1068.978       192.7290 710.1823       302.6279 1313.789       249.9771 156.7301 40.19735 227.0307 23.36388 -70.30055      46.49406 
1 1 1 10  5   29 o 176.4019 19.06067 781.3427       158.1997 1049.457       213.1651 452.6107       236.0353 203.0159 22.33059 126.3535 36.82668 76.66238       43.06808 
1 1 1 10  5   30 o 291.5555 16.15727 2099.217       224.3344 2265.087       310.2520 1917.473       324.7583 298.9955 21.85504 272.4540 25.21821 26.54156       33.37066 
1 1 1 10  5   31 o 70.98864 28.05906 92.05865       140.8697 5.324430       190.5843 196.5111       209.1468 69.30082 30.30376 91.02531 34.67632 -21.72449      46.05177 
1 1 1 10  5   32 o 87.91138 35.88997 154.7143       238.5253 237.1814       337.5724 72.48786       337.0795 101.8291 42.24757 90.33357 39.87275 11.49557       58.09211 
1 1 1 10  5   33 o 110.2384 37.94973 366.3785       242.1520 441.9638       355.9132 301.2351       330.4159 117.5771 45.12529 105.0536 42.47914 12.52347       61.97394 
1 1 1 10  5   34 o 64.48145 28.55607 -0.9747020     174.2775 -33.69178      207.4487 77.50271       321.2889 66.87927 30.26274 86.60912 38.54034 -19.72984      49.00195 
1 1 1 10  5   35 o 92.56123 31.76446 257.5611       169.6098 151.0626       221.7401 407.7334       263.3100 81.79882 34.11355 109.1276 39.39434 -27.32875      52.11188 
1 1 1 10  5   36 o 90.76332 32.38120 258.4582       177.3255 433.1437       235.9344 31.67423       268.8247 110.7839 37.47432 74.70564 34.05684 36.07825       50.63786 
1 1 1 10  5   37 o 59.76596 28.16750 -88.16650      208.6289 -329.4232      235.4407 793.7973       450.1604 52.78914 26.03132 119.7858 49.14991 -66.99669      55.61783 
1 1 1 10  5   38 o 42.76688 21.40508 -379.1082      184.4621 -347.4730      249.8697 -416.9992      273.4612 52.57265 26.08410 53.22488 26.55075 -0.6522331     37.21992 
1 1 1 10  6   0  o 216.8127 8.170162 1127.061       84.53687 1064.920       144.9046 1159.123       104.0854 210.0488 14.51891 219.7245 9.934084 -9.675659      17.59218 
1 1 1 10  6   1  o 327.9948 6.432040 2574.154       100.8612 2317.527       151.4579 2778.646       135.2009 310.8207 10.20618 340.6636 8.301286 -29.84296      13.15589 
1 1 1 10  6   2  o 475.6727 9.408972 5419.931       213.9729 0.000000       0.000000 5419.931       213.9729 ?        ?        475.6727 9.408972 0.000000       9.408972 
1 1 1 10  6   3  o 328.3396 8.710744 2583.439       136.6165 0.000000       0.000000 2583.439       136.6165 ?        ?        328.3396 8.710744 0.000000       8.710744 
1 1 1 10  6   4  o 452.1951 9.328551 4897.950       201.6733 0.000000       0.000000 4897.950       201.6733 ?        ?        452.1951 9.328551 0.000000       9.328551 
1 1 1 10  6   5  o 164.2292 7.933197 647.1858       62.10413 0.000000       0.000000 647.1858       62.10413 ?        ?        164.2292 7.933197 0.000000       7.933197 
1 1 1 10  6   6  o 159.1182 8.033019 607.6906       60.91159 0.000000       0.000000 607.6906       60.91159 ?        ?        159.1182 8.033019 0.000000       8.033019 
1 1 1 10  6   7  o 882.5515 11.21883 18675.37       473.3646 18916.18       1763.540 18656.67       491.3976 869.9666 42.52972 882.0047 11.65343 -12.03815      44.09738 
1 1 1 10  6   8  o 499.9100 7.724371 5982.644       184.6134 5991.705       255.3627 5972.724       267.2055 499.9571 10.68357 499.0962 11.19832 0.8608398      15.47711 
1 1 1 10  6   9  o 755.8933 25.85041 13900.08       932.8177 13801.23       1317.947 13999.30       1320.464 746.4106 37.04855 751.9027 36.84520 -5.492126      52.25097 
1 1 1 10  6   10 o 331.6154 9.273956 2636.512       146.8863 2681.827       169.3484 2498.872       295.1432 334.3040 10.60917 321.2443 19.30623 13.05969       22.02919 
1 1 1 10  6   11 o 544.8653 10.33505 7116.511       269.2218 7081.979       290.6822 7324.815       713.9261 543.4117 11.18874 547.5815 27.35733 -4.169861      29.55692 
1 1 1 10  6   12 o 445.7305 10.82982 4764.336       230.7820 4756.642       489.6275 4766.533       261.6722 442.2683 23.23797 445.4614 12.29858 -3.193115      26.29179 
1 1 1 10  6   13 o 440.1283 10.01138 4643.751       210.6599 4659.396       233.9781 4576.789       484.0679 440.5851 11.11691 433.5976 23.43843 6.987518       25.94119 
1 1 1 10  6   14 f 302.4471 11.35988 2198.136       163.9680 2354.497       266.7024 2103.122       207.9005 311.8372 17.96523 295.2904 14.77336 16.54684       23.25944 
1 1 1 10  6   15 o 247.9895 14.40644 1484.793       170.0687 1409.612       214.0564 1613.486       280.0598 240.7737 18.74318 256.6325 23.07207 -15.85884      29.72587 
1 1 1 10  6   16 o 157.7862 26.69759 625.6573       194.2198 0.000000       0.000000 625.6573       194.2198 ?        ?        157.7862 26.69759 0.000000       26.69759 
1 1 1 10  6   17 o 196.8221 19.98435 949.8948       185.4453 1001.946       234.2640 862.5312       303.4968 200.8432 24.93231 182.4967 36.06410 18.34645       43.84335 
1 1 1 10  6   18 o 518.0396 19.42586 6530.865       480.2656 6860.139       672.2429 6187.603       686.3739 526.7987 26.77936 498.8915 28.90077 27.90717       39.40036 
1 1 1 10  6   19 o 279.3026 14.55057 1889.097       193.6257 2092.053       261.0916 1641.069       288.6311 292.7475 18.75345 257.4862 23.71280 35.26129       30.23225 
1 1 1 10  6   20 o 176.2857 22.70341 775.1780       186.9069 959.5093       238.5039 481.8072       300.8876 195.1688 26.22393 134.8088 42.09381 60.36005       49.59419 
1 1 1 10  6   21 o 56.86568 25.33073 -44.75338      139.1563 36.90586       241.7704 -85.20744      170.1695 82.64122 35.10497 60.13425 27.28958 22.50697       44.46437 
1 1 1 10  6   22 o 130.7628 31.45056 451.9730       194.2023 542.3179       252.8861 322.1054       303.1962 141.6025 36.96494 115.6538 42.19745 25.94871       56.09841 
1 1 1 10  6   23 o 254.0667 14.85808 1573.037       179.6881 1481.205       244.1949 1681.475       265.3569 244.1442 21.12873 260.0411 21.53719 -15.89690      30.17074 
1 1 1 10  6   24 o 178.4111 16.93593 784.2074       142.7272 894.5468       190.7041 643.6979       215.2027 189.0266 21.48289 156.6562 29.82274 32.37041       36.75474 
1 1 1 10  6   25 o 269.7806 14.66066 1775.560       188.3812 1540.806       254.1041 2062.025       280.6992 248.3120 21.61985 288.0909 20.51418 -39.77881      29.80351 
1 1 1 10  6   26 o 94.22285 26.03434 232.1370       121.1683 127.0505       154.8647 398.0112       194.5667 78.93600 29.89303 121.2436 32.78513 -42.30756      44.36731 
1 1 1 10  6   27 o 212.2920 15.59708 1108.114       157.1966 1304.294       214.1722 879.0022       231.4509 228.5420 19.79651 183.7813 27.15903 44.76074       33.60825 
1 1 1 10  6   28 o 205.7721 16.12607 1045.527       157.3774 1252.451       215.1575 807.4324       230.7950 223.2852 20.37967 174.7465 28.61497 48.53867       35.13044 
1 1 1 10  6   29 o 133.6064 26.66314 473.1569       164.3416 459.5792       286.4577 479.8182       200.6458 126.1789 41.25383 132.0038 32.10609 -5.824883      52.27504 
1 1 1 10  6   30 o 92.02795 27.58497 224.9237       130.9194 258.4312       175.1578 182.5087       197.0690 98.40896 32.26383 89.29275 33.74238 9.116211       46.68515 
1 1 1 10  6   31 o 87.36053 28.80085 200.2030       139.5001 409.9270       184.2694 -81.36397      213.5109 121.0694 31.52888 66.42103 30.30746 54.64841       43.73343 
1 1 1 10  6   32 o 75.29655 31.07469 88.42841       181.3112 554.5552       317.1382 -137.9039      220.9885 131.7319 43.42507 63.43254 29.60378 68.29932       52.55588 
1 1 1 10  6   33 o 150.4007 23.24033 599.7079       161.7280 850.7712       219.3832 300.8512       239.3555 176.9803 26.76301 102.3753 37.47060 74.60500       46.04677 
1 1 1 10  6   34 o 56.82765 25.05288 -6.577522      132.6920 148.4903       182.3539 -181.0848      193.4466 80.71472 31.91776 55.52889 26.44719 25.18583       41.45115 
1 1 1 10  6   35 o 73.52351 28.44958 130.7985       142.2946 335.0378       192.1797 -117.0477      211.7039 103.3258 33.79046 60.90054 28.59971 42.42530       44.26893 
1 1 1 10  6   36 o 56.31386 26.20626 -74.91978      171.2066 -94.15454      195.9784 -12.93491      351.8095 58.87327 27.60611 78.76158 36.94960 -19.88831      46.12342 
1 1 1 10  6   37 f 69.90147 28.50673 116.6066       150.2850 138.8092       211.1423 93.80834       213.9558 76.39165 32.63929 72.77982 31.95856 3.611824       45.68011 
1 1 1 10  6   38 o 69.43616 28.86415 125.9722       158.0062 304.8645       220.4744 -62.93021      226.5588 89.37698 35.17215 61.39871 29.06193 27.97828       45.62539 
1 1 1 10  7   0  o 263.1299 7.466882 1658.605       93.83792 1085.670       164.1669 1936.641       114.3623 211.8238 16.33687 284.2687 8.424128 -72.44492      18.38095 
1 1 1 10  7   1  o 706.8641 10.89236 11977.52       368.1003 12725.28       1177.072 11896.46       387.5378 718.9073 34.34628 704.3537 11.50840 14.55359       36.22306 
1 1 1 10  7   2  o 894.8547 11.47387 19201.16       490.8748 0.000000       0.000000 19201.16       490.8748 ?        ?        894.8547 11.47387 0.000000       11.47387 
1 1 1 10  7   3  o 192.7739 8.386238 891.4742       77.10517 0.000000       0.000000 891.4742       77.10517 ?        ?        192.7739 8.386238 0.000000       8.386238 
1 1 1 10  7   4  o 441.7308 9.127010 4673.530       192.7501 0.000000       0.000000 4673.530       192.7501 ?        ?        441.7308 9.127010 0.000000       9.127010 
1 1 1 10  7   5  o 166.2184 10.22835 664.5659       80.88806 0.000000       0.000000 664.5659       80.88806 ?        ?        166.2184 10.22835 0.000000       10.22835 
1 1 1 10  7   6  o 368.7364 8.902844 3256.353       156.9470 0.000000       0.000000 3256.353       156.9470 ?        ?        368.7364 8.902844 0.000000       8.902844 
1 1 1 10  7   7  o 149.2420 8.294571 534.9497       58.94968 0.000000       0.000000 534.9497       58.94968 ?        ?        149.2420 8.294571 0.000000       8.294571 
1 1 1 10  7   8  f 325.7358 13.03023 2550.919       202.5111 2532.428       284.7194 2569.851       288.0983 323.6189 18.47923 325.9922 18.56196 -2.373291      26.19214 
1 1 1 10  7   9  o 105.2881 10.21397 268.1606       50.76892 273.1388       66.82877 261.3666       78.07127 105.8067 13.51964 102.9718 16.40882 2.834854       21.26100 
1 1 1 10  7   10 o 269.2964 11.87597 1743.154       152.5241 1767.386       212.8082 1717.559       218.7165 270.4726 16.53626 266.4921 17.25962 3.980530       23.90277 
1 1 1 10  7   11 o 217.2720 10.90624 1134.823       112.9266 1130.365       155.8192 1139.755       163.8912 216.2787 15.16561 217.0635 15.90322 -0.7847900     21.97517 
1 1 1 10  7   12 f 741.3660 11.37887 13185.07       403.3112 13138.67       425.2064 13601.14       1273.254 739.9086 12.02025 740.4276 36.07723 -0.5189819     38.02700 
1 1 1 10  7   13 o 51.67104 17.19894 60.87283       49.71381 39.55185       52.53198 243.7456       153.8490 46.72260 17.47097 99.20623 29.94071 -52.48363      34.66527 
1 1 1 10  7   14 o 239.4982 12.89602 1381.991       147.1165 1148.891       198.7056 1664.775       218.8600 217.1712 19.34025 262.1031 17.56713 -44.93196      26.12756 
1 1 1 10  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  7   16 o 93.99465 22.93579 223.6316       102.1432 213.3260       130.9946 239.6166       163.1448 92.51431 27.56032 98.68531 31.02221 -6.170998      41.49638 
1 1 1 10  7   17 o 252.9927 14.38834 1547.703       173.3137 1769.930       233.7860 1276.556       258.2396 269.7021 18.23843 227.2360 24.13935 42.46609       30.25473 
1 1 1 10  7   18 o 399.9588 16.54289 3877.239       315.6433 4317.117       438.8273 3405.688       454.3514 419.9234 21.93428 371.1503 25.76548 48.77307       33.83744 
1 1 1 10  7   19 o 395.3676 12.24597 3768.021       231.1951 3778.819       295.5441 3750.992       371.1353 394.8843 15.68588 391.8213 19.87729 3.063019       25.32101 
1 1 1 10  7   20 o 182.4452 15.27637 811.3792       132.0259 712.0119       166.9144 977.4509       215.7843 169.3102 21.07563 198.0416 23.23172 -28.73140      31.36711 
1 1 1 10  7   21 o 257.6121 14.27400 1611.117       175.1133 1545.450       231.9746 1698.109       266.9974 250.6252 19.51377 262.0005 21.50465 -11.37529      29.03854 
1 1 1 10  7   22 o 470.8347 18.10914 5425.483       406.8781 5480.974       568.0909 5367.036       583.0246 467.9562 25.48866 462.2230 26.49415 5.733215       36.76427 
1 1 1 10  7   23 f 114.1193 25.11523 337.2638       133.3035 328.9868       157.9290 357.7723       248.5944 111.8014 29.22476 116.7399 38.44527 -4.938530      48.29208 
1 1 1 10  7   24 o 199.2579 15.74895 973.0185       148.8100 943.5315       200.7717 1008.966       221.6761 193.9457 22.04343 199.9474 23.64677 -6.001678      32.32774 
1 1 1 10  7   25 o 198.1476 18.51544 972.8578       173.3698 1097.010       277.0130 892.9156       222.2861 205.5885 28.98693 186.8342 25.55456 18.75427       38.64295 
1 1 1 10  7   26 o 112.1864 27.96420 333.5085       149.4508 252.1341       170.2992 606.1551       311.7229 98.57812 31.77663 145.5401 42.29322 -46.96197      52.90057 
1 1 1 10  7   27 o 167.2702 28.13069 735.0939       216.9852 654.7323       288.9082 839.0818       328.6448 151.6042 39.47755 171.2223 40.74101 -19.61803      56.73013 
1 1 1 10  7   28 o 231.1029 16.07887 1317.263       176.5438 1416.769       241.0255 1202.080       259.3180 236.9056 21.51478 215.6993 25.64803 21.20631       33.47696 
1 1 1 10  7   29 o 150.4670 24.18895 587.7841       168.1106 44.42420       294.9224 849.3050       204.6054 87.13306 37.90565 181.4050 24.19443 -94.27196      44.96898 
1 1 1 10  7   30 o 254.5437 15.65775 1598.493       189.6239 1972.321       263.8359 1199.059       272.7224 280.3006 19.81573 213.5981 27.33181 66.70248       33.75931 
1 1 1 10  7   31 o 177.6235 18.38229 794.9055       153.8486 885.0789       211.5231 693.6201       224.1775 183.9501 24.67356 158.9263 30.61487 25.02380       39.31990 
1 1 1 10  7   32 o 172.9819 23.39909 785.2599       188.5545 1209.299       320.2058 560.1777       233.2904 206.4412 33.59752 138.0441 35.23441 68.39711       48.68528 
1 1 1 10  7   33 o 48.36684 22.94569 -141.3598      142.7856 -418.3362      190.0653 217.4686       216.3340 45.10821 22.44239 91.86414 35.20030 -46.75593      41.74592 
1 1 1 10  7   34 o 50.08963 23.70359 -135.7609      150.5538 -348.4764      180.0118 359.3723       274.6391 45.50455 22.49889 107.6302 40.00586 -62.12562      45.89846 
1 1 1 10  7   35 o 71.83662 29.76644 97.74855       167.2829 14.31148       191.8943 361.8788       341.4220 66.98086 29.79676 103.8761 42.73252 -36.89523      52.09525 
1 1 1 10  7   36 o 80.32970 31.33322 179.7995       173.6758 125.5335       199.5889 349.0269       352.4580 76.01122 32.07373 98.91312 42.21352 -22.90190      53.01609 
1 1 1 10  7   37 o 72.37690 30.62089 116.6404       182.7043 344.2174       340.2226 24.41423       216.5838 95.11352 41.04589 67.81907 30.78102 27.29445       51.30533 
1 1 1 10  7   38 o 126.8628 33.86346 577.5792       209.2217 1031.240       363.5331 352.8919       255.8394 144.9432 46.39898 92.52079 37.39070 52.42239       59.58968 
1 1 1 10  8   0  o 250.3017 8.405621 1501.888       100.4443 1446.725       182.3773 1525.906       120.3401 244.7900 15.66586 252.1499 10.00244 -7.359909      18.58677 
1 1 1 10  8   1  o 202.1133 8.241358 979.7000       79.46759 974.3547       134.6253 982.5585       98.44926 200.9255 14.10428 202.2311 10.21563 -1.305588      17.41521 
1 1 1 10  8   2  o 49.64253 8.881567 60.80526       20.30516 40.72598       29.70053 78.42616       27.82301 41.62720 13.25545 56.27125 10.73368 -14.64405      17.05634 
1 1 1 10  8   3  o 224.7457 8.919701 1211.612       95.65035 0.000000       0.000000 1211.612       95.65035 ?        ?        224.7457 8.919701 0.000000       8.919701 
1 1 1 10  8   4  o 242.6882 8.365567 1411.934       96.91759 0.000000       0.000000 1411.934       96.91759 ?        ?        242.6882 8.365567 0.000000       8.365567 
1 1 1 10  8   5  o 254.9831 8.425719 1558.521       102.5723 0.000000       0.000000 1558.521       102.5723 ?        ?        254.9831 8.425719 0.000000       8.425719 
1 1 1 10  8   6  o 285.7189 11.94700 1961.576       162.8346 0.000000       0.000000 1961.576       162.8346 ?        ?        285.7189 11.94700 0.000000       11.94700 
1 1 1 10  8   7  f 195.5124 8.881624 917.3921       82.80171 0.000000       0.000000 917.3921       82.80171 ?        ?        195.5124 8.881624 0.000000       8.881624 
1 1 1 10  8   8  o 186.2682 7.138421 831.6508       63.45190 901.5777       99.70415 784.0521       82.26001 193.6250 10.81365 180.6498 9.558537 12.97527       14.43262 
1 1 1 10  8   9  o 398.1155 7.896333 3794.774       150.2944 3912.910       205.4796 3658.858       220.4009 403.8635 10.65136 390.3597 11.82336 13.50372       15.91362 
1 1 1 10  8   10 o 562.4031 19.85408 7648.105       532.9962 7630.270       752.0920 7666.102       755.4602 558.4998 28.25877 559.7851 28.32012 -1.285339      40.00734 
1 1 1 10  8   11 o 174.5481 10.68764 733.2574       88.76020 790.7303       120.3909 664.8144       131.3794 180.8599 14.03306 165.2959 16.86066 15.56401       21.93646 
1 1 1 10  8   12 o 559.4812 11.72392 7511.494       313.5931 7047.705       714.0043 7622.341       349.0622 536.4421 27.93628 563.3532 12.96026 -26.91107      30.79617 
1 1 1 10  8   13 f 99.82119 26.45240 251.7217       128.2494 0.000000       0.000000 251.7217       128.2494 ?        ?        99.82119 26.45240 0.000000       26.45240 
1 1 1 10  8   14 o 125.5146 22.48629 393.6348       129.9778 393.6348       129.9778 0.000000       0.000000 125.5146 22.48629 ?        ?        0.000000       22.48629 
1 1 1 10  8   15 o 228.3144 13.36677 1257.932       145.2661 1094.131       194.6632 1463.783       218.2243 211.7147 19.44915 245.2903 18.75076 -33.57559      27.01593 
1 1 1 10  8   16 o 308.8126 12.94483 2298.136       190.6934 2263.698       243.7193 2352.500       306.2178 305.6602 16.74188 310.5163 20.74609 -4.856110      26.65878 
1 1 1 10  8   17 o 213.1820 14.14953 1100.230       143.3957 1161.102       189.2356 1018.141       219.7534 218.1203 18.31575 202.9023 23.06251 15.21803       29.45074 
1 1 1 10  8   18 f 199.5925 16.60846 970.8882       157.0479 1238.173       228.5593 731.8224       216.1577 224.2019 21.58978 170.0637 27.52586 54.13826       34.98273 
1 1 1 10  8   19 o 82.49260 27.01338 163.7840       122.8038 161.2616       135.4680 175.4141       290.8847 83.19727 28.39250 101.7152 40.28366 -18.51796      49.28394 
1 1 1 10  8   20 o 508.1411 19.18497 6310.952       465.2359 6564.287       651.5756 6047.466       664.5005 513.0691 26.65461 491.0143 28.42849 22.05484       38.96983 
1 1 1 10  8   21 f 385.8467 12.96934 3600.887       238.9040 3756.498       290.3902 3274.976       420.2537 393.1366 15.48032 362.6092 24.38353 30.52740       28.88246 
1 1 1 10  8   22 o 192.9312 20.01239 923.5844       181.9127 875.2295       222.9579 1019.876       314.6271 185.5446 25.83391 196.1536 34.82550 -10.60905      43.36135 
1 1 1 10  8   23 o 72.77076 27.78645 99.82018       134.4911 121.4176       208.9678 84.54823       175.7216 85.56212 34.06028 76.95382 31.02765 8.608299       46.07404 
1 1 1 10  8   24 o 158.2923 17.20380 619.5233       128.1028 759.5259       165.5620 410.6692       202.2154 174.4185 20.22927 123.5657 33.42771 50.85280       39.07218 
1 1 1 10  8   25 o 43.10657 20.58554 -150.1685      118.8352 -213.1780      130.1796 164.8164       291.0617 42.15840 20.48000 98.13129 39.80050 -55.97290      44.76059 
1 1 1 10  8   26 o 150.4451 19.43851 567.6320       136.5489 487.3069       183.3870 667.5780       204.5625 135.4591 29.17976 159.8003 27.78375 -24.34117      40.29138 
1 1 1 10  8   27 o 122.7141 27.94175 401.0156       160.2440 279.9179       284.1279 457.5012       194.0506 107.3121 40.52372 129.7350 31.58621 -22.42285      51.37957 
1 1 1 10  8   28 o 177.8558 18.44089 791.0255       154.5316 875.1302       211.4487 694.6082       226.3978 184.1477 24.63507 160.6011 30.60295 23.54655       39.28648 
1 1 1 10  8   29 o 255.5123 20.12724 1640.122       243.8854 2203.311       333.8741 995.8181       357.1092 293.4671 24.00620 184.4964 41.49483 108.9707       47.93870 
1 1 1 10  8   30 o 213.5902 20.02026 1150.608       202.0541 1094.219       244.4172 1272.324       359.0947 205.0255 25.48378 212.7493 36.62584 -7.723846      44.61922 
1 1 1 10  8   31 o 291.5741 17.51691 2123.162       243.0567 2260.163       319.5424 1935.075       374.4090 296.6331 22.70460 267.8990 29.73267 28.73413       37.41030 
1 1 1 10  8   32 o 50.65803 24.97933 -399.5000      216.7141 -982.3360      287.9696 361.6717       329.0901 47.06000 23.92202 111.6012 43.24297 -64.54116      49.41880 
1 1 1 10  8   33 o 106.0953 31.66351 325.7850       172.7814 304.2640       199.3623 390.7343       346.3373 102.2556 34.44778 112.6316 44.15509 -10.37597      56.00288 
1 1 1 10  8   34 o 125.6843 29.66691 455.1271       175.3792 511.3425       211.0643 329.7442       315.2144 130.3071 33.64753 104.8173 41.79699 25.48981       53.65767 
1 1 1 10  8   35 f 74.66871 33.02314 56.67067       232.3060 -53.47778      328.4319 166.9512       328.6288 77.11000 36.02087 89.25823 39.38514 -12.14823      53.37315 
1 1 1 10  8   36 o 89.17393 36.42186 244.3495       245.7836 -155.4161      339.6788 683.6569       356.0821 71.61668 34.36149 125.9123 45.76138 -54.29558      57.22601 
1 1 1 10  8   37 o 58.76775 26.07776 18.41043       146.0585 -152.8486      195.8726 232.9050       219.2074 54.53125 26.14523 85.27100 34.55632 -30.73975      43.33258 
1 1 1 10  8   38 o 94.87479 30.74609 313.9297       159.3005 611.1862       216.9490 -33.84771      234.6620 129.3902 34.45826 63.43219 29.88858 65.95798       45.61468 
1 1 1 10  9   0  o 146.3316 9.193760 514.9688       63.99401 518.2970       91.68281 511.8069       89.36413 146.3334 13.24836 145.4422 12.98835 0.8911896      18.55307 
1 1 1 10  9   1  o 147.4955 8.209906 522.5182       57.66446 508.6337       73.28976 545.0814       93.42812 145.2799 10.62535 150.1142 13.15079 -4.834274      16.90684 
1 1 1 10  9   2  o 641.3300 9.667236 9854.729       296.4096 9965.793       332.0008 9418.443       658.0184 644.7543 10.77052 623.5604 22.10746 21.19397       24.59154 
1 1 1 10  9   3  o 337.8792 13.49998 2745.555       217.6346 0.000000       0.000000 2745.555       217.6346 ?        ?        337.8792 13.49998 0.000000       13.49998 
1 1 1 10  9   4  o 211.8940 10.17538 1078.486       102.7794 0.000000       0.000000 1078.486       102.7794 ?        ?        211.8940 10.17538 0.000000       10.17538 
1 1 1 10  9   5  o 396.4286 14.65474 3781.785       277.2702 0.000000       0.000000 3781.785       277.2702 ?        ?        396.4286 14.65474 0.000000       14.65474 
1 1 1 10  9   6  o 207.3485 10.85071 1033.555       107.1898 0.000000       0.000000 1033.555       107.1898 ?        ?        207.3485 10.85071 0.000000       10.85071 
1 1 1 10  9   7  f 163.9307 8.285358 645.1429       64.72461 0.000000       0.000000 645.1429       64.72461 ?        ?        163.9307 8.285358 0.000000       8.285358 
1 1 1 10  9   8  o 292.6782 7.788107 2052.321       108.8791 2084.127       243.4633 2044.369       121.7302 293.6185 17.42202 292.0254 8.728854 1.593109       19.48640 
1 1 1 10  9   9  o 425.9114 12.68394 4358.548       257.9870 4098.483       443.9153 4491.182       317.0201 410.6768 22.69781 431.8336 15.37999 -21.15683      27.41779 
1 1 1 10  9   10 o 92.40915 18.31438 213.0855       78.05180 177.5863       114.2087 244.1957       106.9157 85.12331 25.81940 98.42454 23.11728 -13.30123      34.65617 
1 1 1 10  9   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  9   12 o 251.7303 12.90770 1526.161       154.8247 1729.331       214.4894 1305.144       223.7121 267.3293 16.86829 231.3755 20.43364 35.95378       26.49665 
1 1 1 10  9   13 o 584.0411 8.962924 8174.369       250.2658 7650.781       333.9814 8844.854       377.9395 564.3862 12.37763 606.6760 13.03038 -42.28986      17.97211 
1 1 1 10  9   14 o 252.5829 11.73911 1535.417       141.3703 1638.557       181.8101 1377.696       224.8273 260.4659 14.65936 237.6704 19.97089 22.79556       24.77364 
1 1 1 10  9   15 o 323.7067 14.09124 2527.965       217.5543 2614.278       303.0133 2436.136       312.5446 327.8659 19.41809 316.0586 20.79969 11.80734       28.45504 
1 1 1 10  9   16 o 202.8973 13.40648 995.5310       129.3179 1125.634       175.7402 841.8940       190.9745 215.0328 17.23886 184.6063 22.07525 30.42647       28.00884 
1 1 1 10  9   17 o 184.8257 14.22314 828.7112       124.7140 745.5652       162.8014 946.8060       194.0226 173.9908 19.93078 196.0303 21.03082 -22.03946      28.97467 
1 1 1 10  9   18 o 371.5890 15.51223 3345.363       274.9725 3484.083       380.3287 3193.442       398.0135 377.0763 21.18220 360.0555 23.24594 17.02081       31.44931 
1 1 1 10  9   19 f 184.5023 17.03118 833.2298       148.5348 931.9096       219.4083 749.7426       201.8129 192.9961 24.31785 172.5210 25.21252 20.47507       35.02897 
1 1 1 10  9   20 o 374.6457 14.82185 3404.805       264.9559 3902.140       411.2921 3051.997       346.4136 397.8672 21.70460 352.2460 20.66101 45.62125       29.96610 
1 1 1 10  9   21 o 192.2946 15.54135 903.6791       141.6613 1078.368       186.8116 667.3014       217.3075 209.1349 18.88731 160.3872 29.42377 48.74767       34.96411 
1 1 1 10  9   22 o 210.1245 15.09742 1078.022       150.6550 924.4886       197.8492 1289.893       232.4178 192.2438 21.91755 227.5669 21.62195 -35.32309      30.78778 
1 1 1 10  9   23 f 359.1125 15.93613 3148.227       272.9221 3478.818       377.5443 2786.385       394.9865 374.6026 21.16701 332.7663 25.01061 41.83633       32.76542 
1 1 1 10  9   24 o 132.2202 19.45809 438.8681       119.3256 481.9192       149.3854 362.9789       198.3383 137.2457 23.61848 116.3356 33.71494 20.91008       41.16466 
1 1 1 10  9   25 o 374.9639 16.19497 3443.287       289.6362 3649.615       399.5685 3214.838       420.4432 382.2750 21.95521 356.5986 24.81633 25.67639       33.13429 
1 1 1 10  9   26 o 155.9451 27.48990 636.6505       197.4661 599.9666       250.5104 696.8463       320.9013 147.1969 35.91943 155.4193 42.13763 -8.222427      55.36953 
1 1 1 10  9   27 o 274.5342 15.12274 1848.835       197.7217 1909.425       267.7930 1776.218       293.1681 276.1504 20.42825 264.4227 23.43282 11.72763       31.08714 
1 1 1 10  9   28 o 238.1285 15.50685 1396.547       175.5799 1407.917       234.8194 1382.129       264.4232 236.2533 21.00854 232.1328 24.18023 4.120422       32.03189 
1 1 1 10  9   29 o 97.27147 31.42140 251.7192       166.4566 500.5749       291.4594 131.2589       202.7805 130.6955 41.51340 84.04581 33.52069 46.64967       53.35728 
1 1 1 10  9   30 o 112.5568 27.30986 341.9073       145.4453 366.5327       197.1919 312.5265       215.3925 114.3767 33.74951 106.6201 35.80524 7.756577       49.20411 
1 1 1 10  9   31 o 254.3527 18.84496 1632.082       227.5329 1656.800       281.8496 1585.831       385.5431 252.5935 23.61290 236.3368 35.19379 16.25665       42.38126 
1 1 1 10  9   32 o 134.9644 29.38882 509.3679       184.2447 504.2837       212.1234 524.9865       371.7901 131.4448 33.62343 126.0422 46.60298 5.402557       57.46627 
1 1 1 10  9   33 o 80.76714 30.25825 160.9140       157.7243 222.2257       179.5797 -45.98713      329.8881 90.41678 32.54720 81.22439 37.29045 9.192390       49.49644 
1 1 1 10  9   34 o 143.3763 26.25788 570.4116       173.3580 671.6223       207.5853 337.1301       315.1546 153.2736 29.39750 104.6879 41.77719 48.58572       51.08372 
1 1 1 10  9   35 f 85.86859 35.06269 196.8961       227.7091 -139.5891      327.1862 512.9733       317.1089 72.65182 34.54358 116.3079 43.03318 -43.65606      55.18254 
1 1 1 10  9   36 o 55.33938 25.90093 -85.22247      171.1705 -130.5509      200.3777 37.16128       329.2501 57.10968 27.11907 78.79958 36.55791 -21.68990      45.51840 
1 1 1 10  9   37 f 77.05812 31.47452 168.7646       183.5553 -66.37437      213.6240 832.1368       358.8116 61.17337 28.72823 132.5966 46.16739 -71.42322      54.37590 
1 1 1 10  9   38 o 138.8771 26.96055 606.1647       172.5498 324.0857       236.0296 929.9731       252.8862 89.28814 35.97440 162.1864 33.71513 -72.89823      49.30382 
1 1 1 10  10  0  o 359.0016 9.261067 3090.020       158.8192 3084.076       180.2133 3110.691       336.0642 358.5009 10.52589 358.3432 19.69189 0.1576843      22.32857 
1 1 1 10  10  1  o 370.9034 9.504766 3298.531       168.4041 3474.023       362.0090 3250.065       190.2421 378.6930 20.06674 368.0003 10.82486 10.69272       22.80025 
1 1 1 10  10  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10  8  o 47.00461 14.66992 52.66831       36.54932 0.000000       0.000000 52.66831       36.54932 ?        ?        47.00461 14.66992 0.000000       14.66992 
1 1 1 10  10  9  o 423.1208 7.930289 4287.190       160.4212 4110.607       439.5187 4314.331       172.3087 411.1994 22.44223 424.4031 8.492202 -13.20370      23.99523 
1 1 1 10  10  10 o 77.92530 22.30626 150.7710       87.32492 115.4192       115.0111 198.8938       134.1868 73.61765 26.09737 90.32495 28.09620 -16.70731      38.34670 
1 1 1 10  10  11 o 338.4554 12.06210 2753.810       194.8668 2907.729       320.0664 2663.151       245.6411 346.2733 19.41131 332.2168 15.50855 14.05652       24.84580 
1 1 1 10  10  12 o 350.9648 14.60482 2969.652       244.5220 3366.492       342.6821 2558.003       349.0178 372.5689 19.30457 323.7002 22.69641 48.86874       29.79586 
1 1 1 10  10  13 o 391.4388 15.50497 3698.765       289.5898 3874.559       405.8914 3516.501       413.2926 398.9247 21.35978 379.4773 22.88689 19.44739       31.30575 
1 1 1 10  10  14 o 288.2002 13.12657 2002.372       180.3899 2224.043       258.7858 1792.863       251.5862 302.6832 17.96394 271.2582 19.53047 31.42499       26.53568 
1 1 1 10  10  15 o 150.3689 14.02072 549.4427       99.63280 430.8581       116.4780 872.7983       192.3402 131.9955 19.00464 188.0836 21.79283 -56.08807      28.91546 
1 1 1 10  10  16 o 351.7582 14.77858 2991.588       247.9800 3429.599       347.7440 2538.379       353.7260 375.1555 19.45478 321.2761 23.18523 53.87936       30.26620 
1 1 1 10  10  17 o 358.2483 11.80779 3091.951       201.9609 3514.470       251.8511 2330.768       338.0380 381.4250 13.83395 307.4789 23.16583 73.94611       26.98210 
1 1 1 10  10  18 o 254.0183 14.40492 1564.279       174.2210 1585.411       223.9898 1531.913       277.2004 254.5830 18.52995 248.4746 23.61844 6.108368       30.01982 
1 1 1 10  10  19 o 78.36926 25.43114 148.8724       108.9645 143.9120       120.0712 172.0250       259.4062 78.48123 26.73142 97.52250 38.21923 -19.04127      46.63988 
1 1 1 10  10  20 o 352.0453 12.83320 2997.932       215.6327 3065.480       267.2842 2872.014       364.9302 354.9265 15.79120 340.4080 22.55053 14.51852       27.52977 
1 1 1 10  10  21 o 247.2289 14.43409 1487.253       169.8650 1795.469       228.2577 1104.703       254.2973 270.5464 17.74514 208.6846 26.05449 61.86177       31.52342 
1 1 1 10  10  22 o 50.94403 23.00127 -54.70835      119.0629 -92.82091      129.9427 144.7216       297.2440 50.27344 23.19764 97.80993 40.01372 -47.53649      46.25179 
1 1 1 10  10  23 o 264.0773 14.95551 1701.310       188.0450 1877.016       253.8749 1487.740       279.8971 275.5695 19.39379 242.8103 24.44371 32.75914       31.20279 
1 1 1 10  10  24 o 200.0158 18.39160 990.9297       173.9027 1116.509       203.1302 646.2941       336.5077 211.6142 20.32779 150.0822 44.03553 61.53195       48.50100 
1 1 1 10  10  25 o 186.6657 20.32358 872.5351       178.4480 833.9904       276.5597 900.0297       233.5774 175.6033 34.17194 186.5415 26.97282 -10.93819      43.53452 
1 1 1 10  10  26 o 214.9258 18.14039 1146.811       184.6603 1124.368       272.2644 1165.930       251.2926 207.5758 28.16066 213.1968 25.13684 -5.621063      37.74763 
1 1 1 10  10  27 o 53.30524 23.95684 -46.09017      127.4762 -56.65862      138.3394 13.38400       328.1742 54.78992 24.76031 89.14822 39.34634 -34.35830      46.48878 
1 1 1 10  10  28 o 262.6580 15.46053 1698.558       193.2851 1835.269       259.7623 1528.974       289.3120 270.3031 20.24811 243.3721 25.23053 26.93097       32.35066 
1 1 1 10  10  29 o 120.2950 24.16776 380.1583       134.1636 365.3557       171.8694 403.2487       214.6568 115.4035 30.64101 119.6558 35.18731 -4.252335      46.65852 
1 1 1 10  10  30 o 99.11039 27.53995 266.0556       135.1661 228.3897       173.5015 324.2115       215.5884 93.30631 32.12293 107.7711 35.81430 -14.46474      48.10974 
1 1 1 10  10  31 f 55.08072 25.40886 -88.21526      155.7420 -139.1602      173.6165 121.6835       352.4077 55.11407 25.88775 94.84827 41.34627 -39.73420      48.78206 
1 1 1 10  10  32 o 43.90364 21.50820 -262.2441      152.4595 -324.2607      167.8531 30.10618       364.4412 44.38651 21.90514 89.08470 40.22994 -44.69819      45.80702 
1 1 1 10  10  33 o 64.69251 28.05791 22.45157       160.5758 63.90744       178.2916 -155.6048      369.5018 71.32416 30.21551 79.59286 37.50392 -8.268700      48.16140 
1 1 1 10  10  34 o 117.0837 38.20522 451.6248       245.7420 696.4691       319.3292 96.04027       384.8266 139.8852 43.31458 90.14913 40.96089 49.73609       59.61499 
1 1 1 10  10  35 o 89.05672 31.78229 242.0604       170.8399 226.7138       194.9863 292.7669       354.4294 87.21218 33.41826 96.24964 41.71508 -9.037460      53.45024 
1 1 1 10  10  36 o 62.75348 27.81597 26.93558       165.7288 -218.2319      191.6769 753.0297       329.8639 51.21805 24.87411 134.1276 44.29097 -82.90959      50.79774 
1 1 1 10  10  37 o 37.30524 18.89134 -490.7537      168.3460 -596.8154      194.9672 -179.9716      333.7415 39.05029 19.83357 66.88014 32.55808 -27.82986      38.12347 
1 1 1 10  10  38 f 80.38486 35.01257 237.3274       252.2677 415.9807       348.7135 41.17660       365.3913 90.48800 40.21575 73.22990 35.26455 17.25809       53.48734 
1 1 1 10  11  0  o 634.7756 22.02980 9785.252       667.5448 11105.62       944.0818 8465.055       944.0201 672.2122 29.44760 584.0560 33.95432 88.15619       44.94504 
1 1 1 10  11  1  o 232.2920 7.883609 1293.714       87.42546 1328.664       169.4622 1281.039       102.0552 234.4805 15.19861 231.0195 9.258883 3.460983       17.79676 
1 1 1 10  11  2  o 651.2621 9.321070 10164.29       290.2217 10609.94       327.0517 8513.191       629.5159 665.2054 10.28377 592.1463 22.27637 73.05914       24.53553 
1 1 1 10  11  3  o 351.0410 7.961881 2951.057       133.6232 0.000000       0.000000 2951.057       133.6232 ?        ?        351.0410 7.961881 0.000000       7.961881 
1 1 1 10  11  4  o 376.9721 13.90425 3420.223       250.1613 0.000000       0.000000 3420.223       250.1613 ?        ?        376.9721 13.90425 0.000000       13.90425 
1 1 1 10  11  5  o 78.19311 14.56120 151.7103       52.43198 0.000000       0.000000 151.7103       52.43198 ?        ?        78.19311 14.56120 0.000000       14.56120 
1 1 1 10  11  6  o 90.44251 11.37246 199.3190       48.08938 0.000000       0.000000 199.3190       48.08938 ?        ?        90.44251 11.37246 0.000000       11.37246 
1 1 1 10  11  7  o 173.0267 9.609453 719.7840       79.17917 0.000000       0.000000 719.7840       79.17917 ?        ?        173.0267 9.609453 0.000000       9.609453 
1 1 1 10  11  8  o 421.9649 15.75621 4293.871       317.3022 0.000000       0.000000 4293.871       317.3022 ?        ?        421.9649 15.75621 0.000000       15.75621 
1 1 1 10  11  9  o 134.5345 9.067134 435.7188       57.97867 437.5925       100.0637 434.7719       71.13680 133.8479 15.95058 134.1405 11.19437 -0.2926331     19.48679 
1 1 1 10  11  10 o 316.4813 8.118296 2400.979       122.7333 2426.930       275.0163 2394.525       137.1483 316.4116 18.25769 315.9436 9.089167 0.4679565      20.39501 
1 1 1 10  11  11 o 264.7485 12.33527 1687.858       155.7023 1667.581       213.7890 1710.762       227.2164 262.2574 17.14498 265.4541 18.01031 -3.196716      24.86607 
1 1 1 10  11  12 o 308.4749 13.58009 2294.386       199.7861 2517.731       276.4726 2050.299       289.0257 322.1392 18.02334 289.8091 21.00259 32.33014       27.67580 
1 1 1 10  11  13 o 385.5800 12.08367 3577.803       222.4771 3475.213       386.2404 3628.742       272.1615 377.2872 21.50201 387.6969 14.71006 -10.40967      26.05230 
1 1 1 10  11  14 o 157.5567 15.61189 605.1725       116.0535 710.2896       139.7000 371.0726       208.4781 170.4445 17.38696 120.0345 34.49919 50.41006       38.63289 
1 1 1 10  11  15 o 134.4719 13.89749 440.5589       88.06029 447.2704       111.1864 429.2639       144.2397 134.7323 17.68801 130.3914 24.02299 4.340927       29.83236 
1 1 1 10  11  16 o 166.1647 14.32754 671.4489       112.7094 743.0013       158.7442 598.7104       160.0543 173.6735 19.45243 154.9327 22.24522 18.74078       29.55075 
1 1 1 10  11  17 o 148.4655 15.69821 539.5346       109.7398 715.4104       126.1253 -8.504041      222.6407 171.2094 15.57915 76.24796 33.05411 94.96143       36.54154 
1 1 1 10  11  18 o 113.1408 27.23367 331.3211       145.5269 209.0725       192.1595 495.7308       222.8454 95.20003 33.73468 136.8423 34.16850 -41.64226      48.01578 
1 1 1 10  11  19 o 297.3356 14.35624 2145.979       203.4748 2509.521       279.9348 1738.760       296.2735 320.0795 18.37040 264.0429 23.72242 56.03653       30.00375 
1 1 1 10  11  20 f 54.85537 22.56967 27.44966       95.25924 7.664634       120.7408 60.06865       155.0319 58.08553 24.74577 70.99781 28.95359 -12.91228      38.08758 
1 1 1 10  11  21 o 334.7912 13.08452 2717.008       209.0274 2963.302       265.8282 2318.034       338.3344 348.4773 15.99847 304.5353 23.41778 43.94193       28.36095 
1 1 1 10  11  22 o 91.96299 28.61726 216.0978       139.1946 139.4722       219.9772 267.2657       179.7588 88.68545 35.06038 101.8075 32.63109 -13.12208      47.89591 
1 1 1 10  11  23 o 109.2752 28.35922 315.2187       149.4256 478.8246       230.4111 196.4657       196.3026 132.4237 35.62114 92.68884 33.93240 39.73486       49.19627 
1 1 1 10  11  24 o 205.5849 21.27780 1060.030       206.1153 1244.568       259.0644 741.7352       340.2344 221.0711 24.94653 160.4391 43.34158 60.63205       50.00822 
1 1 1 10  11  25 o 90.36874 30.99492 203.1817       161.4851 -228.1916      259.4785 475.8764       206.3066 66.57725 31.38853 132.1163 32.81156 -65.53907      45.40747 
1 1 1 10  11  26 o 47.34695 22.12700 -107.1302      124.1503 -107.9628      157.3553 -105.7574      202.0617 54.86787 25.39172 63.69857 29.22225 -8.830700      38.71278 
1 1 1 10  11  27 f 50.81258 23.88597 -136.1024      148.3099 -156.5898      163.7232 -42.40429      350.1324 52.80061 24.90551 87.94257 39.59840 -35.14196      46.77946 
1 1 1 10  11  28 o 204.3608 17.55780 1039.937       169.8831 1212.507       227.9244 824.2353       254.8212 218.2990 22.14498 174.0836 31.78845 44.21535       38.74152 
1 1 1 10  11  29 o 71.80384 28.07824 96.69858       139.7526 138.7973       184.6710 40.27615       213.7915 82.60571 32.28415 76.20860 32.70809 6.397118       45.95743 
1 1 1 10  11  30 o 221.6713 16.64524 1225.837       175.1154 1263.899       230.8577 1174.259       268.7369 221.6833 22.07537 209.7068 27.46378 11.97647       35.23608 
1 1 1 10  11  31 o 105.3413 36.61480 320.4340       225.6390 507.4841       286.4600 14.67519       366.2472 127.0263 41.23500 89.09025 40.27177 37.93609       57.63801 
1 1 1 10  11  32 o 155.7986 21.79383 637.1954       157.8976 552.9491       208.0660 751.5974       242.4614 138.0045 32.13713 161.2325 32.57681 -23.22801      45.76073 
1 1 1 10  11  33 o 118.5449 27.06811 395.1333       150.0269 549.6171       198.1631 187.6734       229.6404 137.4853 30.90207 88.13120 35.49263 49.35408       47.06023 
1 1 1 10  11  34 o 199.9725 22.60542 1080.812       212.3335 967.4064       334.5991 1157.272       274.7415 166.3898 42.05017 199.1050 29.77550 -32.71527      51.52473 
1 1 1 10  11  35 o 66.70346 27.91513 81.94859       149.2514 13.59664       191.6656 187.2483       237.8934 65.41447 29.38927 83.67509 35.14499 -18.26062      45.81375 
1 1 1 10  11  36 o 55.79477 25.39887 -21.95615      148.8305 96.04646       193.4904 -192.9280      232.9034 71.27861 30.85730 57.80907 27.91706 13.46954       41.61172 
1 1 1 10  11  37 o 67.05503 29.11105 92.84928       173.2036 134.9632       344.6095 78.61485       200.3479 78.45555 36.73002 67.92937 30.31767 10.52618       47.62621 
1 1 1 10  12  0  o 73.08524 10.62839 130.8528       36.04937 61.32895       48.91972 213.4714       53.32807 51.61341 17.05703 93.46799 12.22682 -41.85458      20.98660 
1 1 1 10  12  1  o 120.4463 8.296844 349.2578       47.48468 350.6549       74.47654 348.3009       61.63759 120.0428 13.19428 119.9772 10.86340 0.6556702E-01  17.09101 
1 1 1 10  12  2  o 385.8985 8.419051 3568.385       155.3262 3567.118       191.0437 3570.856       266.7884 385.4512 10.37648 384.8493 14.52607 0.6019287      17.85155 
1 1 1 10  12  3  o 260.2406 10.27258 1627.163       127.5584 0.000000       0.000000 1627.163       127.5584 ?        ?        260.2406 10.27258 0.000000       10.27258 
1 1 1 10  12  4  o 530.8336 7.964179 6750.115       202.1193 0.000000       0.000000 6750.115       202.1193 ?        ?        530.8336 7.964179 0.000000       7.964179 
1 1 1 10  12  5  o 380.7744 14.37836 3494.620       261.2791 0.000000       0.000000 3494.620       261.2791 ?        ?        380.7744 14.37836 0.000000       14.37836 
1 1 1 10  12  6  o 446.8461 16.04188 4820.414       342.1498 0.000000       0.000000 4820.414       342.1498 ?        ?        446.8461 16.04188 0.000000       16.04188 
1 1 1 10  12  7  o 224.4337 9.023940 1209.378       96.62872 0.000000       0.000000 1209.378       96.62872 ?        ?        224.4337 9.023940 0.000000       9.023940 
1 1 1 10  12  8  o 388.8555 9.367334 3625.749       174.1457 0.000000       0.000000 3625.749       174.1457 ?        ?        388.8555 9.367334 0.000000       9.367334 
1 1 1 10  12  9  f 128.7428 11.00224 400.8231       67.07088 0.000000       0.000000 400.8231       67.07088 ?        ?        128.7428 11.00224 0.000000       11.00224 
1 1 1 10  12  10 o 372.6606 8.348939 3328.604       148.7487 3515.654       206.9544 3128.706       213.9445 382.3948 11.33271 360.5039 12.43178 21.89087       16.82199 
1 1 1 10  12  11 f 366.6530 8.226033 3222.284       144.1963 3651.123       202.8887 2784.577       204.9760 389.7415 10.89932 339.9887 12.63240 49.75281       16.68451 
1 1 1 10  12  12 o 319.2701 10.45828 2450.503       159.4191 2564.888       191.2769 2190.304       288.4893 326.2982 12.28331 299.4637 20.26953 26.83453       23.70092 
1 1 1 10  12  13 o 264.0851 10.96826 1678.948       138.1795 1737.601       172.8122 1574.969       230.0915 268.1804 13.52205 253.9347 19.09247 14.24565       23.39591 
1 1 1 10  12  14 o 257.1974 12.84533 1597.614       157.4503 1533.822       218.2719 1666.818       227.3416 250.6653 18.34051 261.3685 18.30935 -10.70320      25.91538 
1 1 1 10  12  15 o 170.1084 13.53208 702.4827       109.1458 748.0284       148.2706 648.6096       161.2567 174.5697 18.02440 161.5338 21.40723 13.03586       27.98479 
1 1 1 10  12  16 o 285.3144 12.13421 1965.263       165.1395 1927.409       211.3170 2024.646       264.6748 281.5987 15.75910 287.4409 19.37313 -5.842224      24.97334 
1 1 1 10  12  17 o 164.5064 12.88082 657.2186       100.4986 467.4153       129.4536 945.1328       159.4387 136.7491 20.42586 196.4078 17.15146 -59.65868      26.67186 
1 1 1 10  12  18 o 258.0936 12.07202 1610.798       148.5458 1680.624       191.1475 1504.329       236.0327 262.7439 15.28292 246.8626 20.17481 15.88129       25.30989 
1 1 1 10  12  19 o 133.9233 19.17428 447.8150       119.2688 521.0240       139.1066 244.6378       231.7409 144.1470 20.78502 102.2076 36.94918 41.93941       42.39409 
1 1 1 10  12  20 o 72.55177 24.12834 125.9886       97.84725 10.40355       123.4656 321.1716       160.4412 58.93749 25.06309 110.4517 29.73043 -51.51419      38.88518 
1 1 1 10  12  21 o 220.9566 15.57230 1194.284       163.4472 1012.606       232.0009 1373.318       230.3070 199.8483 24.81464 235.0355 20.70734 -35.18721      32.31966 
1 1 1 10  12  22 o 74.24135 30.41386 67.56989       172.0238 242.0790       212.6738 -262.6589      292.5583 99.81022 35.47763 70.55255 33.28307 29.25767       48.64592 
1 1 1 10  12  23 o 188.8075 18.37760 884.5064       163.7918 1050.526       241.8879 743.9234       222.5872 202.6839 25.52740 168.6782 28.62365 34.00574       38.35312 
1 1 1 10  12  24 o 96.33504 33.75245 230.7167       191.9564 426.8189       237.8506 -135.5996      325.0806 124.1784 37.17165 80.93082 37.10449 43.24757       52.52118 
1 1 1 10  12  25 o 67.70763 25.98632 86.85303       118.0322 190.6350       145.0931 -116.2039      202.9527 87.13026 29.38761 63.22172 29.10699 23.90854       41.36240 
1 1 1 10  12  26 o 111.9728 28.11243 336.9023       150.2542 303.2259       165.0195 500.2256       363.4096 105.8069 30.77910 130.8101 46.38831 -25.00320      55.67071 
1 1 1 10  12  27 o 73.47964 27.72344 113.1808       132.9147 63.08552       165.3940 204.5230       223.3350 71.68483 29.64090 94.17204 35.84321 -22.48721      46.51149 
1 1 1 10  12  28 o 196.5081 21.50686 982.7916       198.7570 936.3448       303.5090 1017.666       262.9942 182.3461 36.09296 195.3805 29.03658 -13.03448      46.32305 
1 1 1 10  12  29 o 233.0359 17.07371 1354.019       188.9010 1590.277       253.0091 1056.436       283.9536 249.7977 21.39124 196.4994 31.27281 53.29828       37.88897 
1 1 1 10  12  30 o 212.7251 20.87975 1162.294       209.6172 1142.852       248.2281 1210.618       391.3483 207.4630 25.56683 197.2333 42.73933 10.22969       49.80274 
1 1 1 10  12  31 o 117.0882 31.05003 394.3980       176.6261 494.4439       272.9528 322.3278       231.6679 125.0462 40.22233 104.8741 37.05204 20.17213       54.68719 
1 1 1 10  12  32 o 82.91374 28.60777 184.4223       137.6334 380.7034       174.7619 -136.1412      223.3390 114.2596 31.14553 62.96942 29.50869 51.29015       42.90462 
1 1 1 10  12  33 o 205.6242 21.30396 1117.868       206.4013 943.3361       314.1452 1250.439       273.7895 170.1790 39.39090 210.8255 27.84350 -40.64648      48.23799 
1 1 1 10  12  34 o 105.7934 28.70386 337.4540       148.8416 272.1658       191.7997 436.2959       235.9940 93.04362 33.61750 112.2045 37.47551 -19.16084      50.34431 
1 1 1 10  12  35 o 77.47817 29.34623 171.0916       149.2668 155.3246       191.0163 195.8193       239.2148 77.53732 31.93698 83.60845 35.18724 -6.071136      47.51960 
1 1 1 10  12  36 o 52.11064 25.17616 -173.8816      189.9238 -620.4255      327.4427 52.51110       233.1495 54.90481 27.62267 69.96121 31.82509 -15.05640      42.14081 
1 1 1 10  12  37 o 61.93173 27.37416 59.96072       159.4035 185.8194       206.0778 -127.5108      251.5112 75.99528 32.35069 59.84840 28.92853 16.14687       43.39846 
1 1 1 10  13  0  o 293.3206 12.23923 2073.154       171.2575 2144.704       241.6612 2000.969       242.7317 297.2422 17.07733 286.8900 17.78457 10.35229       24.65615 
1 1 1 10  13  1  o 334.9215 6.372001 2685.893       102.0298 2618.038       166.7065 2726.534       129.0158 330.0141 10.57970 337.2839 8.000900 -7.269836      13.26440 
1 1 1 10  13  2  o 176.1586 7.422633 744.7560       62.37288 707.3172       96.47025 771.6482       81.76068 171.1269 11.86491 179.0831 9.584434 -7.956223      15.25245 
1 1 1 10  13  3  o 207.6916 9.190367 1036.608       91.02975 0.000000       0.000000 1036.608       91.02975 ?        ?        207.6916 9.190367 0.000000       9.190367 
1 1 1 10  13  4  o 520.5917 10.91462 6509.058       271.6527 0.000000       0.000000 6509.058       271.6527 ?        ?        520.5917 10.91462 0.000000       10.91462 
1 1 1 10  13  5  o 253.8621 11.81853 1552.381       143.0461 0.000000       0.000000 1552.381       143.0461 ?        ?        253.8621 11.81853 0.000000       11.81853 
1 1 1 10  13  6  o 206.9077 10.72870 1030.806       105.7661 0.000000       0.000000 1030.806       105.7661 ?        ?        206.9077 10.72870 0.000000       10.72870 
1 1 1 10  13  7  o 316.6127 13.78510 2419.262       208.1635 0.000000       0.000000 2419.262       208.1635 ?        ?        316.6127 13.78510 0.000000       13.78510 
1 1 1 10  13  8  o 378.6407 9.358202 3439.656       169.4057 0.000000       0.000000 3439.656       169.4057 ?        ?        378.6407 9.358202 0.000000       9.358202 
1 1 1 10  13  9  o 256.4373 9.268949 1579.795       113.4501 0.000000       0.000000 1579.795       113.4501 ?        ?        256.4373 9.268949 0.000000       9.268949 
1 1 1 10  13  10 o 509.1531 8.492343 6216.829       206.7209 0.000000       0.000000 6216.829       206.7209 ?        ?        509.1531 8.492343 0.000000       8.492343 
1 1 1 10  13  11 o 383.3863 10.73776 3535.135       196.6213 3382.831       385.1294 3588.827       228.6672 371.5180 21.77847 385.8956 12.41054 -14.37759      25.06637 
1 1 1 10  13  12 o 304.0069 10.54164 2223.857       152.9827 2406.729       278.2862 2144.658       183.1380 314.1350 18.61308 298.0532 12.88259 16.08179       22.63642 
1 1 1 10  13  13 o 232.6107 12.88821 1308.414       142.7676 1519.206       192.1012 1048.341       213.3786 249.9134 16.16471 205.7656 22.03314 44.14786       27.32686 
1 1 1 10  13  14 o 230.2991 12.09074 1281.485       132.6568 1435.960       165.6805 1005.563       221.4291 243.3178 14.30571 200.8233 23.50711 42.49455       27.51795 
1 1 1 10  13  15 o 209.8519 14.09967 1069.623       140.6379 1152.619       178.5532 933.9798       228.2638 217.0159 17.35398 192.5768 25.41236 24.43915       30.77253 
1 1 1 10  13  16 o 356.8535 10.98975 3070.063       187.2701 3627.077       253.4779 2400.635       277.8809 387.0082 13.72143 312.9737 18.65597 74.03452       23.15865 
1 1 1 10  13  17 o 270.8187 13.65585 1779.462       176.2389 2276.472       244.9534 1246.077       253.7587 305.2664 16.84937 222.8270 24.20878 82.43948       29.49520 
1 1 1 10  13  18 o 310.9273 11.59703 2336.085       172.0887 2489.687       212.5762 2044.009       293.1332 320.2510 13.91726 287.0322 21.51785 33.21875       25.62631 
1 1 1 10  13  19 o 40.17281 18.01231 -30.23212      71.59508 -44.07618      84.87720 3.912703       133.2974 42.70358 19.33700 60.29385 25.85128 -17.59027      32.28325 
1 1 1 10  13  20 o 171.7616 15.43524 723.5577       125.3996 796.2291       144.4809 501.6487       252.4739 179.7717 17.01293 135.3397 37.65093 44.43199       41.31625 
1 1 1 10  13  21 o 290.5091 14.46741 2056.715       200.3042 2100.098       271.7831 2005.132       296.3552 291.2524 19.63312 283.2936 22.05466 7.958801       29.52740 
1 1 1 10  13  22 o 302.7968 13.98330 2233.256       201.8808 2479.521       265.3929 1895.065       311.0070 317.4140 17.55699 273.9331 23.98933 43.48090       29.72770 
1 1 1 10  13  23 o 277.2536 14.93737 1880.614       197.2665 1931.199       266.1396 1818.938       293.8713 278.4027 20.13126 268.4250 23.12471 9.977661       30.65974 
1 1 1 10  13  24 o 205.0032 18.05020 1044.488       175.1046 916.0571       252.3547 1163.742       243.1711 186.2513 29.30750 213.3200 24.27495 -27.06868      38.05526 
1 1 1 10  13  25 o 274.0100 15.69008 1847.476       204.6825 2243.631       272.6328 1335.760       309.8564 300.0318 19.10577 224.7670 29.55004 75.26482       35.18857 
1 1 1 10  13  26 o 144.0175 20.86030 528.8450       139.4524 448.0388       174.3801 672.2054       232.2679 128.8179 29.01414 156.7823 32.06966 -27.96437      43.24677 
1 1 1 10  13  27 o 218.7143 16.89168 1187.606       175.2597 1337.587       225.3413 957.9872       278.8224 230.1036 20.70492 187.4118 32.28374 42.69188       38.35276 
1 1 1 10  13  28 o 220.2519 23.50196 1252.024       243.6564 1384.267       303.9982 1014.448       407.4611 227.9002 28.52385 178.9186 47.02621 48.98164       55.00068 
1 1 1 10  13  29 o 41.75779 20.43188 -236.9233      136.3163 -253.1020      170.1354 -207.9155      227.8141 48.19894 23.41407 60.82984 28.89442 -12.63090      37.19014 
1 1 1 10  13  30 o 231.8455 16.58614 1348.680       182.6307 1569.237       233.1279 998.2848       293.8419 247.6976 19.85239 185.6389 34.37389 62.05869       39.69485 
1 1 1 10  13  31 o 130.9787 29.45451 487.1743       179.9548 359.6007       263.5725 598.5701       246.2942 108.5011 39.37987 139.8559 36.46569 -31.35482      53.67048 
1 1 1 10  13  32 o 118.8158 28.90940 407.0418       162.6328 210.0855       177.8914 1409.629       401.3572 87.55559 32.26025 207.6995 41.86678 -120.1439      52.85406 
1 1 1 10  13  33 f 84.31744 34.71131 180.4975       225.4877 143.0887       276.5817 254.6431       389.3851 84.22385 36.67319 96.32478 42.66985 -12.10094      56.26402 
1 1 1 10  13  34 o 139.6787 23.41237 548.0012       150.8175 387.4006       189.2266 827.6942       249.7178 108.1877 33.31603 160.4697 33.62755 -52.28194      47.33677 
1 1 1 10  13  35 o 128.9972 25.75024 492.2712       153.2414 769.8873       196.1856 57.82544       245.4215 161.3184 26.34605 72.31361 32.79927 89.00475       42.07026 
1 1 1 10  13  36 o 86.35180 29.79467 253.3652       149.2911 308.4418       187.9121 159.1070       245.8279 91.34100 33.23627 76.18646 33.81805 15.15454       47.41635 
1 1 1 10  14  0  o 113.2421 9.980292 310.4194       53.48074 252.2355       75.44169 369.1979       75.82614 100.8495 16.19502 123.0769 13.08688 -22.22741      20.82175 
1 1 1 10  14  1  o 181.9858 8.432362 796.1202       73.16660 770.8112       121.4561 810.5366       91.66619 178.1107 14.38563 183.3510 10.50117 -5.240265      17.81070 
1 1 1 10  14  2  o 128.7342 8.032464 398.9098       49.19054 346.7282       78.46892 432.6914       63.13632 119.0729 14.05454 133.8606 9.936332 -14.78770      17.21223 
1 1 1 10  14  3  o 301.5714 12.44586 2193.563       179.0561 0.000000       0.000000 2193.563       179.0561 ?        ?        301.5714 12.44586 0.000000       12.44586 
1 1 1 10  14  4  o 268.1986 11.66226 1733.661       149.1792 0.000000       0.000000 1733.661       149.1792 ?        ?        268.1986 11.66226 0.000000       11.66226 
1 1 1 10  14  5  o 269.3977 11.92269 1749.828       153.1790 0.000000       0.000000 1749.828       153.1790 ?        ?        269.3977 11.92269 0.000000       11.92269 
1 1 1 10  14  6  o 207.3856 11.18623 1037.159       110.4995 0.000000       0.000000 1037.159       110.4995 ?        ?        207.3856 11.18623 0.000000       11.18623 
1 1 1 10  14  7  o 196.9246 11.64069 936.2432       109.1051 0.000000       0.000000 936.2432       109.1051 ?        ?        196.9246 11.64069 0.000000       11.64069 
1 1 1 10  14  8  o 280.9769 12.35884 1905.010       165.6124 0.000000       0.000000 1905.010       165.6124 ?        ?        280.9769 12.35884 0.000000       12.35884 
1 1 1 10  14  9  o 310.5627 13.39851 2330.767       198.4683 0.000000       0.000000 2330.767       198.4683 ?        ?        310.5627 13.39851 0.000000       13.39851 
1 1 1 10  14  10 o 179.1324 11.19378 775.0594       95.38564 0.000000       0.000000 775.0594       95.38564 ?        ?        179.1324 11.19378 0.000000       11.19378 
1 1 1 10  14  11 o 226.7923 9.815150 1238.277       106.1706 0.000000       0.000000 1238.277       106.1706 ?        ?        226.7923 9.815150 0.000000       9.815150 
1 1 1 10  14  12 o 117.7097 10.57736 335.9634       58.89071 177.6391       96.36998 430.3236       74.39816 83.64529 23.25845 133.1295 11.81151 -49.48425      26.08577 
1 1 1 10  14  13 f 225.7133 10.12980 1227.784       109.0331 1185.119       185.1235 1250.445       134.9167 219.9076 17.75906 227.3224 12.46176 -7.414810      21.69515 
1 1 1 10  14  14 f 179.0830 14.46487 781.6199       122.7916 866.5253       151.0248 616.0225       210.9151 187.9601 16.98964 154.0406 29.71616 33.91948       34.23007 
1 1 1 10  14  15 o 373.9862 12.77374 3383.494       228.0573 3489.456       377.1113 3322.398       286.3542 376.0222 21.06138 369.2368 16.26136 6.785461       26.60852 
1 1 1 10  14  16 o 246.0084 13.29293 1468.537       155.7626 1530.652       213.4718 1397.812       227.7875 249.6476 18.00664 237.6754 20.23878 11.97227       27.08961 
1 1 1 10  14  17 o 349.0579 14.59129 2962.114       242.9633 2676.347       336.8560 3271.976       350.7701 328.5098 21.56732 364.1294 20.22873 -35.61954      29.56943 
1 1 1 10  14  18 o 123.0631 21.64231 384.5057       122.6862 559.2507       199.6378 278.4618       155.5190 145.9975 29.61552 103.1700 29.84122 42.82741       42.04257 
1 1 1 10  14  19 o 152.7512 15.82084 574.4052       113.8667 449.0087       128.2082 1042.715       247.7648 133.3900 20.78086 202.0385 26.27218 -68.64851      33.49734 
1 1 1 10  14  20 o 76.04406 21.93235 147.2698       84.11976 124.9403       101.3710 196.6476       150.7440 72.49270 24.56350 89.09869 29.95403 -16.60600      38.73770 
1 1 1 10  14  21 o 58.42984 21.91474 66.11562       82.78312 9.931976       98.27368 203.3969       153.6165 52.86535 22.41584 90.20039 30.23722 -37.33504      37.63986 
1 1 1 10  14  22 o 188.5034 17.38740 880.2579       154.9328 776.7296       215.5816 990.8483       222.8133 172.8112 26.97424 197.0368 24.15782 -24.22562      36.21063 
1 1 1 10  14  23 o 84.36943 29.75114 171.4069       149.3098 -129.5483      229.7238 391.5320       196.4671 66.96435 30.87949 119.4150 33.21055 -52.45061      45.34847 
1 1 1 10  14  24 o 95.57836 30.22915 241.2962       154.6891 43.50641       237.0452 387.9982       204.1490 80.23499 34.43867 118.2943 34.18219 -38.05930      48.52261 
1 1 1 10  14  25 o 158.3853 18.97849 631.3137       140.8512 665.2549       176.9479 572.6149       232.6997 160.4616 23.78468 143.1638 34.42303 17.29781       41.84084 
1 1 1 10  14  26 o 60.08565 25.33054 25.38213       124.3039 8.336279       150.3638 62.17878       220.9215 63.21051 27.28281 79.31084 33.61822 -16.10033      43.29592 
1 1 1 10  14  27 o 229.6910 18.78201 1325.128       204.4509 1235.520       236.0285 1594.419       409.1674 219.2411 22.85334 236.6829 37.40086 -17.44185      43.83035 
1 1 1 10  14  28 o 67.84435 27.26332 77.34179       135.1814 106.4054       164.2374 16.29440       238.0296 75.39038 30.13426 76.33415 33.60727 -0.9437714     45.13892 
1 1 1 10  14  29 o 79.42934 31.42780 132.9438       176.8933 442.2754       280.9609 -70.20016      227.6858 119.1842 40.88325 68.28993 31.21243 50.89424       51.43594 
1 1 1 10  14  30 o 50.87949 24.05353 -138.3762      154.3112 -187.1995      167.9841 125.4444       390.4893 50.72030 24.28994 95.44468 42.47933 -44.72438      48.93357 
1 1 1 10  14  31 o 58.77571 27.39353 -107.0499      188.2001 -26.44227      297.6628 -160.7327      242.9150 77.97452 35.65744 64.10612 30.26809 13.86840       46.77190 
1 1 1 10  14  32 o 53.09336 24.44283 -61.24256      143.0981 -161.5418      178.8842 117.0033       238.4695 53.07488 25.32125 80.02748 34.44832 -26.95260      42.75339 
1 1 1 10  14  33 o 122.4749 25.58888 434.0174       144.9956 325.0463       176.3995 661.0032       254.5898 100.3431 32.34033 138.0144 37.57982 -37.67129      49.57963 
1 1 1 10  14  34 o 97.28463 28.57463 295.6272       141.6291 234.8313       172.7549 420.2502       247.3389 85.99871 31.77266 105.5870 38.17221 -19.58831      49.66507 
1 1 1 10  14  35 o 102.4435 33.54332 381.6868       189.3523 198.7455       286.9043 522.8677       252.0397 81.10178 36.23278 112.3077 38.71455 -31.20591      53.02481 
1 1 1 10  14  36 o 106.8024 31.83459 417.0060       174.7385 547.5051       192.0117 -211.9795      421.5455 123.2922 32.22231 67.98872 33.75801 55.30348       46.66777 
1 1 1 10  15  0  o 204.5489 8.521125 1006.076       83.14769 943.6347       138.7789 1041.042       103.8507 196.8968 14.85219 207.7686 10.48886 -10.87180      18.18251 
1 1 1 10  15  1  o 73.43127 11.67118 133.0283       39.60402 120.8753       64.03256 140.5576       50.40049 69.27402 18.84007 74.98398 14.58433 -5.709953      23.82543 
1 1 1 10  15  2  f 344.6027 8.207359 2849.470       135.2167 0.000000       0.000000 2849.470       135.2167 ?        ?        344.6027 8.207359 0.000000       8.207359 
1 1 1 10  15  3  o 269.2475 9.240658 1743.250       118.7733 0.000000       0.000000 1743.250       118.7733 ?        ?        269.2475 9.240658 0.000000       9.240658 
1 1 1 10  15  4  o 132.2223 10.70773 423.2935       67.10912 0.000000       0.000000 423.2935       67.10912 ?        ?        132.2223 10.70773 0.000000       10.70773 
1 1 1 10  15  5  o 100.7558 12.89317 248.8013       60.68534 0.000000       0.000000 248.8013       60.68534 ?        ?        100.7558 12.89317 0.000000       12.89317 
1 1 1 10  15  6  o 319.9096 11.13641 2466.516       170.0663 0.000000       0.000000 2466.516       170.0663 ?        ?        319.9096 11.13641 0.000000       11.13641 
1 1 1 10  15  7  f 418.6889 11.28652 4224.077       225.7167 0.000000       0.000000 4224.077       225.7167 ?        ?        418.6889 11.28652 0.000000       11.28652 
1 1 1 10  15  8  o 407.7528 11.51658 4008.331       224.2816 0.000000       0.000000 4008.331       224.2816 ?        ?        407.7528 11.51658 0.000000       11.51658 
1 1 1 10  15  9  o 437.6766 16.36778 4658.668       341.8894 0.000000       0.000000 4658.668       341.8894 ?        ?        437.6766 16.36778 0.000000       16.36778 
1 1 1 10  15  10 o 234.8065 9.495754 1327.382       106.3778 0.000000       0.000000 1327.382       106.3778 ?        ?        234.8065 9.495754 0.000000       9.495754 
1 1 1 10  15  11 o 368.4949 15.14935 3298.453       266.3217 0.000000       0.000000 3298.453       266.3217 ?        ?        368.4949 15.14935 0.000000       15.14935 
1 1 1 10  15  12 o 57.20499 14.72529 82.31239       40.50949 87.57872       75.11755 80.15273       48.10386 61.90173 21.14207 56.85807 16.64013 5.043659       26.90504 
1 1 1 10  15  13 o 286.9810 7.832067 1978.307       107.3573 1832.853       184.3884 2052.903       132.0475 274.7256 14.08570 292.0209 9.470708 -17.29538      16.97355 
1 1 1 10  15  14 o 438.3199 11.54286 4638.175       241.6769 5047.922       540.4517 4535.759       270.1972 449.0758 25.27465 432.8503 13.07172 16.22552       28.45484 
1 1 1 10  15  15 o 159.2433 16.70367 624.6009       125.2786 687.6512       151.7734 489.7917       221.9277 166.3335 19.45263 135.0590 34.30840 31.27444       39.43946 
1 1 1 10  15  16 o 281.0062 13.59350 1917.671       182.0813 2122.354       247.0019 1674.066       269.4657 294.1065 17.64776 259.2285 21.94875 34.87796       28.16364 
1 1 1 10  15  17 o 106.0818 23.01617 289.9170       113.3678 306.4970       171.2863 276.9920       151.2325 107.7619 31.36106 102.7788 29.33371 4.983093       42.94162 
1 1 1 10  15  18 o 330.4452 14.74277 2661.435       232.3228 2917.420       322.5803 2385.569       334.8726 343.4304 19.72979 308.6650 22.85472 34.76538       30.19276 
1 1 1 10  15  19 o 295.8500 14.30723 2133.376       201.7652 2331.346       277.8572 1912.548       293.4597 307.0740 19.01985 276.2292 22.41376 30.84482       29.39611 
1 1 1 10  15  20 o 103.3351 21.93379 275.5061       105.0044 266.6216       136.7793 288.2570       163.8599 100.4879 27.61973 104.1271 30.77557 -3.639244      41.35197 
1 1 1 10  15  21 o 269.3560 13.50219 1769.126       173.3214 1848.396       212.4380 1611.316       299.7405 274.1284 16.28288 250.9114 25.33374 23.21695       30.11529 
1 1 1 10  15  22 f 179.0923 16.40685 793.8739       138.9195 545.4231       189.3634 1083.415       204.4235 143.0774 28.68279 207.3843 20.90291 -64.30690      35.49133 
1 1 1 10  15  23 o 193.6602 19.00516 939.1488       173.6988 1101.528       201.6177 471.5997       342.1191 209.1586 20.42239 127.8139 45.03789 81.34464       49.45185 
1 1 1 10  15  24 o 139.4830 24.15597 506.3462       155.2529 330.4769       218.5768 685.4182       220.5581 109.8080 36.04377 159.6371 29.99998 -49.82913      46.89512 
1 1 1 10  15  25 o 101.9332 35.00764 277.1450       206.0237 392.4872       248.8793 26.01690       367.2336 117.6039 38.45300 93.08031 41.32441 24.52362       56.44767 
1 1 1 10  15  26 o 67.56883 26.68686 80.76492       127.3393 178.5659       155.5107 -118.2585      221.8404 84.88342 30.31956 65.43830 30.23601 19.44511       42.81930 
1 1 1 10  15  27 o 185.4706 18.37577 870.6128       160.8007 544.4494       200.8223 1453.334       268.4261 139.2168 30.97174 235.6313 24.16999 -96.41454      39.28660 
1 1 1 10  15  28 o 83.28104 30.03945 177.0234       153.0650 287.7133       166.2010 -441.3443      392.8285 100.7225 31.25873 72.77151 35.40272 27.95094       47.22776 
1 1 1 10  15  29 o 53.00716 25.22099 -170.6706      175.0357 -312.9778      274.0617 -72.63348      227.4732 62.27265 30.12389 67.59612 31.00846 -5.323467      43.23162 
1 1 1 10  15  30 o 182.7759 19.66922 866.3849       169.1736 1034.655       218.8278 616.4176       266.7107 196.5177 23.77394 138.4543 38.76450 58.06332       45.47403 
1 1 1 10  15  31 o 75.36521 28.42113 145.5512       139.6508 152.4418       173.1595 132.7307       236.1950 78.60632 31.09681 81.29617 34.62155 -2.689850      46.53669 
1 1 1 10  15  32 o 72.16006 29.69144 115.0081       164.8756 76.93181       178.5108 336.0737       430.1284 69.53455 29.86637 98.68014 44.20472 -29.14559      53.34845 
1 1 1 10  15  33 f 66.41067 28.02325 82.15234       152.3663 254.4485       191.5878 -214.3500      251.3299 88.55127 33.31189 59.46189 28.78425 29.08938       44.02517 
1 1 1 10  15  34 o 57.67609 25.96194 8.396665       150.3702 35.82509       188.2087 -40.01279      250.0371 64.37905 29.00645 65.60926 30.89520 -1.230209      42.37791 
1 1 1 10  15  35 o 56.80762 25.83594 9.264176       153.5494 69.86514       195.7604 -87.63945      247.5455 65.65646 29.58227 61.02443 29.29356 4.632038       41.63200 
1 1 1 10  16  0  o 217.3953 7.243962 1134.666       75.18441 1135.432       115.4392 1134.103       99.07955 216.8222 11.17400 216.9904 9.574272 -0.1681671     14.71479 
1 1 1 10  16  1  o 259.3028 7.090133 1613.488       87.81367 1544.837       133.1070 1666.393       116.8497 253.0280 11.02983 263.1608 9.302113 -10.13283      14.42866 
1 1 1 10  16  2  o 101.4846 11.86493 251.6282       56.48182 0.000000       0.000000 251.6282       56.48182 ?        ?        101.4846 11.86493 0.000000       11.86493 
1 1 1 10  16  3  o 321.2205 10.86582 2487.376       166.6282 0.000000       0.000000 2487.376       166.6282 ?        ?        321.2205 10.86582 0.000000       10.86582 
1 1 1 10  16  4  o 162.1446 11.18010 636.2918       86.13696 0.000000       0.000000 636.2918       86.13696 ?        ?        162.1446 11.18010 0.000000       11.18010 
1 1 1 10  16  5  o 205.1827 9.500433 1014.199       92.94203 0.000000       0.000000 1014.199       92.94203 ?        ?        205.1827 9.500433 0.000000       9.500433 
1 1 1 10  16  6  o 457.9448 9.711266 5042.998       212.6167 0.000000       0.000000 5042.998       212.6167 ?        ?        457.9448 9.711266 0.000000       9.711266 
1 1 1 10  16  7  f 322.9103 11.41175 2516.368       175.8972 0.000000       0.000000 2516.368       175.8972 ?        ?        322.9103 11.41175 0.000000       11.41175 
1 1 1 10  16  8  o 174.2943 11.20827 735.0457       92.90134 0.000000       0.000000 735.0457       92.90134 ?        ?        174.2943 11.20827 0.000000       11.20827 
1 1 1 10  16  9  o 230.6237 9.490515 1281.098       104.4175 0.000000       0.000000 1281.098       104.4175 ?        ?        230.6237 9.490515 0.000000       9.490515 
1 1 1 10  16  10 o 207.1324 11.47254 1037.758       113.1661 0.000000       0.000000 1037.758       113.1661 ?        ?        207.1324 11.47254 0.000000       11.47254 
1 1 1 10  16  11 o 94.42412 13.83559 220.3076       60.60558 0.000000       0.000000 220.3076       60.60558 ?        ?        94.42412 13.83559 0.000000       13.83559 
1 1 1 10  16  12 o 356.2297 9.179676 3053.416       156.2082 0.000000       0.000000 3053.416       156.2082 ?        ?        356.2297 9.179676 0.000000       9.179676 
1 1 1 10  16  13 o 561.5267 17.03149 7702.801       456.6980 7477.617       788.5510 7816.458       560.2192 540.4678 30.64323 562.6499 20.86239 -22.18207      37.07084 
1 1 1 10  16  14 o 124.5581 11.50312 377.6524       67.72735 463.5981       140.2634 351.5214       77.34096 135.1006 22.50740 119.6591 13.77009 15.44144       26.38557 
1 1 1 10  16  15 o 176.1497 9.948249 749.8020       83.43880 685.6602       142.6468 783.1619       102.8735 166.2894 18.24185 179.5931 12.05109 -13.30371      21.86307 
1 1 1 10  16  16 f 207.3345 12.67413 1044.724       125.0311 987.4904       163.2258 1125.988       194.4981 200.1643 17.22399 213.0391 19.30560 -12.87482      25.87223 
1 1 1 10  16  17 o 258.0265 12.32456 1615.560       151.5957 1462.913       191.1199 1874.538       248.9395 244.0671 16.47558 275.2295 19.03594 -31.16240      25.17562 
1 1 1 10  16  18 o 432.5994 17.19577 4599.253       354.9358 4902.133       493.6620 4275.131       510.6804 441.4963 23.47242 409.7317 26.20741 31.76459       35.18214 
1 1 1 10  16  19 o 231.2371 14.05707 1306.778       154.6693 1374.136       208.9782 1225.185       230.0008 235.1817 18.74105 220.3533 22.13176 14.82845       29.00072 
1 1 1 10  16  20 f 166.4096 18.79182 693.0379       146.8928 849.1870       229.0098 583.8857       191.4699 180.2196 27.44459 148.6274 27.97215 31.59218       39.18733 
1 1 1 10  16  21 o 56.80986 26.32631 -116.8246      170.0147 10.13032       217.6174 -315.6960      272.3672 74.85016 32.56158 64.20411 30.79553 10.64605       44.81765 
1 1 1 10  16  22 o 220.1341 15.71222 1194.726       164.2738 1046.765       230.1794 1348.318       234.5178 201.7338 24.35854 230.9712 21.48415 -29.23743      32.47933 
1 1 1 10  16  23 o 175.8731 20.87517 784.5800       172.1048 823.8755       201.0048 676.6370       333.1441 178.6043 24.15889 149.8854 43.76992 28.71884       49.99458 
1 1 1 10  16  24 o 62.85967 26.62902 26.75744       138.4727 -24.38262      188.0627 87.31452       204.6466 66.77074 29.61202 79.35666 32.90653 -12.58591      44.26863 
1 1 1 10  16  25 o 92.82134 29.47725 232.7025       146.9584 163.9754       195.1048 322.8278       223.4226 85.87383 33.29002 107.0565 36.46416 -21.18272      49.37470 
1 1 1 10  16  26 o 164.2855 19.09023 688.2466       147.1513 639.6801       182.8101 777.6256       247.9987 154.6028 25.63003 165.8051 32.44779 -11.20230      41.34922 
1 1 1 10  16  27 o 361.2744 16.88407 3273.422       290.8170 3355.812       393.0285 3173.730       432.3294 358.6794 23.04160 344.2552 26.47105 14.42426       35.09461 
1 1 1 10  16  28 o 74.80627 28.10682 131.9793       136.3027 260.1259       164.2239 -151.7470      244.3613 95.67445 31.23294 65.38103 30.71097 30.29341       43.80251 
1 1 1 10  16  29 o 55.24382 25.95715 -124.8775      174.7961 -209.7735      274.7294 -67.13628      226.5711 65.90970 31.42660 67.01589 30.81746 -1.106194      44.01530 
1 1 1 10  16  30 o 56.28767 24.95703 -3.958667      133.5055 -142.9299      160.1981 311.9951       241.5498 50.74555 24.14020 98.77880 37.35013 -48.03325      44.47226 
1 1 1 10  16  31 o 155.2974 22.74985 667.2369       163.9004 734.6066       206.0562 551.1949       270.4340 157.4101 28.42658 121.7818 40.09813 35.62825       49.15212 
1 1 1 10  16  32 o 72.29500 30.94674 105.5064       190.4561 -241.9586      305.6834 325.9726       243.4934 64.32656 31.27967 95.72523 37.16747 -31.39867      48.57817 
1 1 1 10  16  33 o 62.21651 27.79437 34.23750       168.8085 74.83103       182.1041 -213.6983      450.0502 67.02305 29.45554 73.09238 36.03316 -6.069336      46.54049 
1 1 1 10  16  34 o 50.73580 24.78671 -201.6619      198.3608 -283.1007      311.6193 -146.1841      257.1983 59.75449 29.55499 59.57500 28.90492 0.1794930      41.33995 
1 1 1 10  17  0  o 99.25315 9.675911 239.1996       45.33167 201.0815       74.37295 261.7320       57.18120 89.20130 18.05981 103.5016 11.76424 -14.30031      21.55351 
1 1 1 10  17  1  o 99.59263 9.091393 240.3884       42.81102 197.0899       64.46011 274.5597       57.26448 88.78959 15.76254 106.0940 11.47206 -17.30438      19.49527 
1 1 1 10  17  2  f 378.1308 8.391128 3434.365       151.6948 0.000000       0.000000 3434.365       151.6948 ?        ?        378.1308 8.391128 0.000000       8.391128 
1 1 1 10  17  3  o 241.2099 12.04988 1408.009       138.5188 0.000000       0.000000 1408.009       138.5188 ?        ?        241.2099 12.04988 0.000000       12.04988 
1 1 1 10  17  4  o 68.19392 15.84609 117.5003       50.67546 0.000000       0.000000 117.5003       50.67546 ?        ?        68.19392 15.84609 0.000000       15.84609 
1 1 1 10  17  5  o 251.0681 9.429139 1518.158       112.9795 0.000000       0.000000 1518.158       112.9795 ?        ?        251.0681 9.429139 0.000000       9.429139 
1 1 1 10  17  6  o 345.5919 9.434343 2874.772       155.7317 0.000000       0.000000 2874.772       155.7317 ?        ?        345.5919 9.434343 0.000000       9.434343 
1 1 1 10  17  7  o 153.8358 11.68846 574.3380       85.32185 0.000000       0.000000 574.3380       85.32185 ?        ?        153.8358 11.68846 0.000000       11.68846 
1 1 1 10  17  8  o 232.7003 9.681784 1305.301       107.4759 0.000000       0.000000 1305.301       107.4759 ?        ?        232.7003 9.681784 0.000000       9.681784 
1 1 1 10  17  9  o 315.7183 9.412156 2400.204       141.9097 0.000000       0.000000 2400.204       141.9097 ?        ?        315.7183 9.412156 0.000000       9.412156 
1 1 1 10  17  10 o 94.08628 13.86777 219.0074       60.51093 0.000000       0.000000 219.0074       60.51093 ?        ?        94.08628 13.86777 0.000000       13.86777 
1 1 1 10  17  11 o 263.2881 9.630589 1670.925       121.0208 0.000000       0.000000 1670.925       121.0208 ?        ?        263.2881 9.630589 0.000000       9.630589 
1 1 1 10  17  12 o 72.35217 15.57826 132.2064       52.29105 0.000000       0.000000 132.2064       52.29105 ?        ?        72.35217 15.57826 0.000000       15.57826 
1 1 1 10  17  13 o 194.5172 10.83199 915.7252       100.3358 0.000000       0.000000 915.7252       100.3358 ?        ?        194.5172 10.83199 0.000000       10.83199 
1 1 1 10  17  14 o 190.5722 10.11886 878.0284       91.86284 756.2687       149.1175 952.5000       116.6198 174.6142 18.12584 197.9701 12.38354 -23.35599      21.95217 
1 1 1 10  17  15 o 151.3128 9.842914 554.2190       70.81812 525.5826       121.5350 568.9406       87.14044 145.2621 17.87672 152.8559 12.02086 -7.593765      21.54247 
1 1 1 10  17  16 f 288.2752 8.233414 2000.465       113.3576 1901.881       199.6212 2047.385       137.7165 278.8139 15.03116 291.1867 9.906924 -12.37280      18.00230 
1 1 1 10  17  17 o 118.1344 16.59143 348.4695       91.12717 302.5719       109.4909 451.9258       164.3845 108.3041 21.89946 130.8933 27.15928 -22.58924      34.88857 
1 1 1 10  17  18 o 233.2781 13.19911 1327.454       146.6060 1212.048       189.1303 1501.192       232.0572 220.9417 18.06253 245.0477 19.98108 -24.10594      26.93508 
1 1 1 10  17  19 o 58.91718 25.50546 -1.124354      132.1889 -71.11569      152.7391 207.7487       263.8574 56.71156 25.78264 98.32095 38.54170 -41.60939      46.37033 
1 1 1 10  17  20 o 118.3802 24.02297 366.2065       131.3088 144.3886       194.7694 551.0305       177.7877 85.01662 33.17570 144.6542 26.69072 -59.63755      42.57959 
1 1 1 10  17  21 o 64.93616 25.85523 66.87193       120.4406 29.23852       132.8562 240.4605       285.3354 62.33157 26.22728 102.5721 40.11749 -40.24056      47.92998 
1 1 1 10  17  22 o 199.9278 15.68931 988.5655       148.7629 1000.211       198.2419 973.5557       225.0671 198.4220 21.22706 193.6619 24.88288 4.760101       32.70697 
1 1 1 10  17  23 o 221.7103 17.31168 1227.516       182.0451 1173.683       217.6371 1352.929       332.1840 214.3028 21.53361 221.9295 32.25130 -7.626755      38.77942 
1 1 1 10  17  24 o 128.4945 21.75278 430.9510       128.8681 380.2471       162.6617 516.4208       211.1891 116.9577 29.18575 134.3099 33.10460 -17.35216      44.13301 
1 1 1 10  17  25 o 197.7050 19.68151 999.0462       183.5623 1154.998       271.3108 867.3939       249.2791 206.0459 28.28786 176.3694 30.67669 29.67644       41.72844 
1 1 1 10  17  26 o 57.94688 26.40510 -59.87846      161.3692 26.34730       254.4062 -117.9234      208.7330 78.00479 34.52552 62.15017 28.92693 15.85463       45.04197 
1 1 1 10  17  27 o 62.17059 26.17433 42.03463       132.4388 1.805853       159.8240 130.1962       236.5991 62.59574 27.54931 83.78908 35.11170 -21.19334      44.62954 
1 1 1 10  17  28 o 77.74632 28.30237 158.0457       136.2840 133.5077       162.9744 215.1049       248.5209 76.35580 30.18039 90.80420 36.79594 -14.44839      47.58988 
1 1 1 10  17  29 o 153.9621 25.32479 666.3884       179.9339 667.1498       197.2107 662.6048       439.6004 151.3300 28.29828 122.0920 49.12889 29.23800       56.69603 
1 1 1 10  17  30 o 131.2304 31.49979 541.4311       195.1153 401.0150       291.7383 655.0684       262.4493 103.5243 40.54301 135.6416 38.61969 -32.11726      55.99299 
1 1 1 10  17  31 o 51.24786 23.78807 -61.29745      139.6830 -323.7804      169.1054 502.4048       247.8174 42.97689 21.34622 115.5227 38.39833 -72.54579      43.93282 
1 1 1 10  17  32 o 91.91771 29.72369 281.7270       148.9304 285.5596       181.5486 273.8411       260.4200 89.93557 32.67693 86.60570 36.59525 3.329872       49.06113 
1 1 1 10  17  33 o 54.43504 25.35431 -35.28135      160.8148 -42.63181      171.9381 16.07713       454.4864 55.39679 25.93787 75.41567 36.98487 -20.01888      45.17360 
1 1 1 10  18  0  o 129.6562 8.482352 405.8116       52.29097 328.1370       80.91046 461.5252       68.52452 115.2246 15.04674 137.9732 10.46634 -22.74860      18.32890 
1 1 1 10  18  1  o 226.3251 9.909767 1236.142       106.9672 0.000000       0.000000 1236.142       106.9672 ?        ?        226.3251 9.909767 0.000000       9.909767 
1 1 1 10  18  2  o 293.1494 12.71219 2083.730       177.7395 0.000000       0.000000 2083.730       177.7395 ?        ?        293.1494 12.71219 0.000000       12.71219 
1 1 1 10  18  3  o 313.3322 8.897340 2363.092       133.1477 0.000000       0.000000 2363.092       133.1477 ?        ?        313.3322 8.897340 0.000000       8.897340 
1 1 1 10  18  4  f 43.38847 15.56578 39.08981       41.03514 0.000000       0.000000 39.08981       41.03514 ?        ?        43.38847 15.56578 0.000000       15.56578 
1 1 1 10  18  5  o 212.2214 11.62751 1091.067       117.5227 0.000000       0.000000 1091.067       117.5227 ?        ?        212.2214 11.62751 0.000000       11.62751 
1 1 1 10  18  6  o 162.6649 10.68735 640.8411       82.65322 0.000000       0.000000 640.8411       82.65322 ?        ?        162.6649 10.68735 0.000000       10.68735 
1 1 1 10  18  7  o 80.24088 14.62304 161.1575       54.03109 0.000000       0.000000 161.1575       54.03109 ?        ?        80.24088 14.62304 0.000000       14.62304 
1 1 1 10  18  8  o 244.5814 9.698910 1443.012       113.1860 0.000000       0.000000 1443.012       113.1860 ?        ?        244.5814 9.698910 0.000000       9.698910 
1 1 1 10  18  9  o 374.5881 14.96407 3420.993       267.4467 0.000000       0.000000 3420.993       267.4467 ?        ?        374.5881 14.96407 0.000000       14.96407 
1 1 1 10  18  10 f 242.4996 9.821841 1419.391       113.6352 0.000000       0.000000 1419.391       113.6352 ?        ?        242.4996 9.821841 0.000000       9.821841 
1 1 1 10  18  11 o 78.69992 14.39383 155.1812       52.16245 0.000000       0.000000 155.1812       52.16245 ?        ?        78.69992 14.39383 0.000000       14.39383 
1 1 1 10  18  12 o 233.6604 10.19271 1319.607       113.5892 0.000000       0.000000 1319.607       113.5892 ?        ?        233.6604 10.19271 0.000000       10.19271 
1 1 1 10  18  13 o 222.5283 13.56209 1207.829       143.5996 0.000000       0.000000 1207.829       143.5996 ?        ?        222.5283 13.56209 0.000000       13.56209 
1 1 1 10  18  14 o 154.1799 11.89936 579.1010       87.03391 0.000000       0.000000 579.1010       87.03391 ?        ?        154.1799 11.89936 0.000000       11.89936 
1 1 1 10  18  15 o 225.1400 10.87472 1228.335       116.7059 1379.305       193.0733 1141.416       146.4991 236.2626 17.21107 215.9473 14.26987 20.31535       22.35732 
1 1 1 10  18  16 o 332.9791 12.04933 2692.049       191.5013 2771.932       328.6911 2650.999       235.6224 332.9018 20.75532 329.0240 15.01853 3.877808       25.61912 
1 1 1 10  18  17 o 95.61385 14.49516 227.8661       64.18506 84.76849       104.5493 314.4225       81.31203 65.25398 24.59492 112.3345 15.55736 -47.08057      29.10226 
1 1 1 10  18  18 o 200.5145 14.49820 987.0135       138.0465 1022.502       182.0979 939.0588       211.6788 202.2152 19.06059 191.4996 23.62077 10.71556       30.35205 
1 1 1 10  18  19 f 140.7884 16.02220 492.8535       105.9278 572.4800       128.8905 327.1535       185.9318 151.0569 18.21450 109.2772 32.90047 41.77966       37.60597 
1 1 1 10  18  20 o 233.3344 13.74922 1334.908       152.6989 1240.747       195.8401 1480.923       243.8741 222.6437 18.56740 241.6856 21.32454 -19.04190      28.27515 
1 1 1 10  18  21 o 94.59093 21.84865 235.4388       96.81488 137.6199       112.9956 505.5127       187.7550 74.84827 25.91650 135.6103 29.77667 -60.76205      39.47550 
1 1 1 10  18  22 o 79.17314 23.90115 165.1113       98.03152 100.8283       115.9760 325.9784       183.4653 68.64629 25.89740 107.3079 32.76019 -38.66162      41.76010 
1 1 1 10  18  23 o 48.74229 21.81370 -30.31413      104.4716 -44.42715      110.9339 80.34152       310.6282 48.88552 22.12445 88.40658 38.67234 -39.52106      44.55381 
1 1 1 10  18  24 o 77.94586 25.39074 159.9505       108.5622 407.0774       128.5126 -455.8492      202.8643 123.9278 22.51970 46.22728 23.02944 77.70052       32.21012 
1 1 1 10  18  25 o 60.50724 24.97754 48.43920       117.1816 96.88731       124.5593 -324.5760      345.6216 68.38797 26.57484 70.82745 34.15524 -2.439484      43.27588 
1 1 1 10  18  26 o 133.3350 27.53779 500.4223       169.7276 429.2962       245.9141 565.1271       234.5509 115.7599 38.24258 135.0130 35.77069 -19.25313      52.36447 
1 1 1 10  18  27 o 74.06214 30.31508 113.9138       170.7290 -512.2761      260.3197 586.5549       226.1620 52.33759 26.07574 136.4270 34.62236 -84.08943      43.34342 
1 1 1 10  18  28 o 215.0549 18.25716 1209.840       185.9390 1418.109       234.8156 859.7059       304.4618 228.9678 21.71020 155.7533 40.51052 73.21455       45.96124 
1 1 1 10  18  29 o 131.4013 28.79086 523.5830       175.8589 504.7496       191.1965 627.0418       448.1248 125.7757 31.78701 113.3571 47.95718 12.41856       57.53526 
1 1 1 10  18  30 o 65.82771 29.57103 33.52642       193.9725 -261.0508      281.4013 300.2060       267.7450 60.48714 29.54461 91.42515 37.74950 -30.93801      47.93651 
1 1 1 10  18  31 o 59.35046 26.04379 43.79980       141.8689 49.08004       171.0374 32.15588       253.9884 63.06975 28.08933 68.96499 32.03425 -5.895237      42.60520 
1 1 1 10  18  32 o 50.21362 23.72682 -72.54453      149.7966 -357.1076      180.4983 557.1332       268.4993 42.35921 21.19703 108.5808 39.69514 -66.22157      45.00020 
1 1 1 10  19  0  o 191.9695 8.851076 888.4771       81.01514 807.2406       131.6107 938.0397       102.8000 181.4075 15.31798 196.8221 10.96812 -15.41454      18.83986 
1 1 1 10  19  1  o 153.3074 11.38845 570.8915       82.87494 0.000000       0.000000 570.8915       82.87494 ?        ?        153.3074 11.38845 0.000000       11.38845 
1 1 1 10  19  2  f 159.6114 12.35911 620.3045       93.57610 0.000000       0.000000 620.3045       93.57610 ?        ?        159.6114 12.35911 0.000000       12.35911 
1 1 1 10  19  3  o 97.73622 12.90036 235.3695       58.80853 0.000000       0.000000 235.3695       58.80853 ?        ?        97.73622 12.90036 0.000000       12.90036 
1 1 1 10  19  4  f 51.23417 19.77996 44.17498       68.66958 0.000000       0.000000 44.17498       68.66958 ?        ?        51.23417 19.77996 0.000000       19.77996 
1 1 1 10  19  5  o 195.3405 11.39337 925.3588       105.9409 0.000000       0.000000 925.3588       105.9409 ?        ?        195.3405 11.39337 0.000000       11.39337 
1 1 1 10  19  6  o 197.1260 10.78801 941.0181       101.2826 0.000000       0.000000 941.0181       101.2826 ?        ?        197.1260 10.78801 0.000000       10.78801 
1 1 1 10  19  7  o 123.9687 12.36568 375.8438       72.31227 0.000000       0.000000 375.8438       72.31227 ?        ?        123.9687 12.36568 0.000000       12.36568 
1 1 1 10  19  8  o 270.8204 9.680405 1770.109       125.1365 0.000000       0.000000 1770.109       125.1365 ?        ?        270.8204 9.680405 0.000000       9.680405 
1 1 1 10  19  9  o 125.4378 12.02097 384.3881       71.20907 0.000000       0.000000 384.3881       71.20907 ?        ?        125.4378 12.02097 0.000000       12.02097 
1 1 1 10  19  10 o 180.1235 11.42350 787.8993       97.86665 0.000000       0.000000 787.8993       97.86665 ?        ?        180.1235 11.42350 0.000000       11.42350 
1 1 1 10  19  11 f 142.0274 12.43951 492.7202       83.61450 0.000000       0.000000 492.7202       83.61450 ?        ?        142.0274 12.43951 0.000000       12.43951 
1 1 1 10  19  12 o 250.2454 13.68320 1527.802       163.0821 0.000000       0.000000 1527.802       163.0821 ?        ?        250.2454 13.68320 0.000000       13.68320 
1 1 1 10  19  13 o 188.9482 11.38715 867.1187       102.3872 0.000000       0.000000 867.1187       102.3872 ?        ?        188.9482 11.38715 0.000000       11.38715 
1 1 1 10  19  14 o 220.4554 12.83648 1184.658       134.7077 0.000000       0.000000 1184.658       134.7077 ?        ?        220.4554 12.83648 0.000000       12.83648 
1 1 1 10  19  15 o 104.6185 13.40135 270.5594       65.49207 0.000000       0.000000 270.5594       65.49207 ?        ?        104.6185 13.40135 0.000000       13.40135 
1 1 1 10  19  16 o 198.9660 11.27977 962.3474       106.8575 0.000000       0.000000 962.3474       106.8575 ?        ?        198.9660 11.27977 0.000000       11.27977 
1 1 1 10  19  17 o 173.4476 9.430765 728.6497       77.90883 767.4943       146.5852 713.3567       91.97520 175.2108 17.74364 171.1253 11.30546 4.085556       21.03926 
1 1 1 10  19  18 o 30.73642 13.83950 -19.90343      42.76472 -147.2890      92.55365 14.67475       48.22081 35.77967 17.35501 39.24125 16.09212 -3.461575      23.66754 
1 1 1 10  19  19 o 259.7701 11.44235 1644.899       141.7574 1721.911       266.7000 1614.574       167.3555 259.4504 21.69965 256.2857 13.70851 3.164703       25.66706 
1 1 1 10  19  20 o 96.71088 24.01845 250.9030       110.5477 191.3505       137.1580 361.3146       186.7577 85.32665 28.57107 112.5878 32.74139 -27.26110      43.45463 
1 1 1 10  19  21 o 114.3771 22.28231 345.8339       117.4630 316.1159       147.9994 396.4164       193.0860 106.5445 28.49973 117.0804 33.05494 -10.53589      43.64474 
1 1 1 10  19  22 o 263.2998 16.32952 1735.016       204.5454 1908.031       255.4097 1425.605       341.5566 273.4478 19.66825 224.1347 32.84935 49.31302       38.28733 
1 1 1 10  19  23 o 68.20229 25.71424 103.6677       114.3021 123.9234       141.9529 66.31895       192.7564 74.29765 28.50258 73.69096 31.32571 0.6066818      42.35206 
1 1 1 10  19  24 o 77.88988 24.94689 163.8168       105.0795 148.8385       122.9092 204.5028       202.5693 75.91976 26.97210 88.31418 34.00502 -12.39442      43.40318 
1 1 1 10  19  25 o 44.27679 20.74164 -85.09589      110.1801 -101.0362      116.1739 57.53410       347.5086 44.47575 20.97898 85.06897 38.75821 -40.59322      44.07172 
1 1 1 10  19  26 o 79.67825 26.13426 180.4285       114.9206 194.4744       134.4552 142.3493       221.3840 82.17746 28.27876 80.10428 33.78909 2.073181       44.06121 
1 1 1 10  19  27 o 124.4069 22.01493 427.7651       126.1490 383.6966       147.8382 545.7760       241.9266 113.3554 27.55219 124.6404 37.52970 -11.28495      46.55751 
1 1 1 10  19  28 o 84.09608 34.09668 213.7399       213.5333 385.8321       247.4590 -287.9893      422.5299 102.0129 37.96377 72.38447 35.53141 29.62848       51.99739 
1 1 1 10  19  29 o 75.21829 28.66777 169.5844       142.9879 -1.959646      168.2748 615.1922       271.2112 59.31492 27.00356 121.8373 40.15756 -62.52234      48.39237 
1 1 1 10  19  30 o 53.47135 24.51817 -17.04177      142.0031 74.81015       165.3835 -274.7618      277.0270 64.16842 28.13984 57.33312 28.26535 6.835297       39.88459 
1 1 1 10  20  0  o 319.3041 11.96448 2475.995       182.3214 0.000000       0.000000 2475.995       182.3214 ?        ?        319.3041 11.96448 0.000000       11.96448 
1 1 1 10  20  1  o 131.1339 12.12108 420.3881       75.13181 0.000000       0.000000 420.3881       75.13181 ?        ?        131.1339 12.12108 0.000000       12.12108 
1 1 1 10  20  2  o 122.5342 13.71531 369.6880       78.97047 0.000000       0.000000 369.6880       78.97047 ?        ?        122.5342 13.71531 0.000000       13.71531 
1 1 1 10  20  3  o 256.8897 12.02244 1602.511       147.2452 0.000000       0.000000 1602.511       147.2452 ?        ?        256.8897 12.02244 0.000000       12.02244 
1 1 1 10  20  4  o 234.4111 10.20655 1328.884       114.1099 0.000000       0.000000 1328.884       114.1099 ?        ?        234.4111 10.20655 0.000000       10.20655 
1 1 1 10  20  5  f 153.9987 12.83911 579.5379       93.66872 0.000000       0.000000 579.5379       93.66872 ?        ?        153.9987 12.83911 0.000000       12.83911 
1 1 1 10  20  6  o 176.0285 11.03055 752.1118       92.36340 0.000000       0.000000 752.1118       92.36340 ?        ?        176.0285 11.03055 0.000000       11.03055 
1 1 1 10  20  7  o 386.2057 14.72019 3644.833       271.2969 0.000000       0.000000 3644.833       271.2969 ?        ?        386.2057 14.72019 0.000000       14.72019 
1 1 1 10  20  8  o 155.4041 11.70953 588.2274       86.35825 0.000000       0.000000 588.2274       86.35825 ?        ?        155.4041 11.70953 0.000000       11.70953 
1 1 1 10  20  9  f 78.20005 15.33285 154.4833       55.27452 0.000000       0.000000 154.4833       55.27452 ?        ?        78.20005 15.33285 0.000000       15.33285 
1 1 1 10  20  10 o 157.2662 12.79151 604.9256       95.34599 0.000000       0.000000 604.9256       95.34599 ?        ?        157.2662 12.79151 0.000000       12.79151 
1 1 1 10  20  11 o 75.86514 19.32026 148.3927       70.25389 0.000000       0.000000 148.3927       70.25389 ?        ?        75.86514 19.32026 0.000000       19.32026 
1 1 1 10  20  12 o 203.7715 13.75568 1017.790       133.2236 0.000000       0.000000 1017.790       133.2236 ?        ?        203.7715 13.75568 0.000000       13.75568 
1 1 1 10  20  13 o 74.26134 15.95913 140.6456       54.97226 0.000000       0.000000 140.6456       54.97226 ?        ?        74.26134 15.95913 0.000000       15.95913 
1 1 1 10  20  14 o 190.7963 14.20172 896.5147       128.6156 0.000000       0.000000 896.5147       128.6156 ?        ?        190.7963 14.20172 0.000000       14.20172 
1 1 1 10  20  15 o 109.4695 15.50106 300.6059       78.85991 0.000000       0.000000 300.6059       78.85991 ?        ?        109.4695 15.50106 0.000000       15.50106 
1 1 1 10  20  16 o 168.7071 14.29876 703.6996       114.2442 0.000000       0.000000 703.6996       114.2442 ?        ?        168.7071 14.29876 0.000000       14.29876 
1 1 1 10  20  17 o 228.6964 13.20061 1285.121       143.7185 0.000000       0.000000 1285.121       143.7185 ?        ?        228.6964 13.20061 0.000000       13.20061 
1 1 1 10  20  18 o 124.6178 16.29938 391.6779       94.78370 1156.459       285.6122 297.0269       100.4780 205.2431 29.99274 106.6653 20.44720 98.57780       36.29949 
1 1 1 10  20  19 o 59.15620 22.44900 70.89829       87.44712 -79.61164      286.2199 86.39411       91.83845 75.69284 34.74494 62.66901 23.16372 13.02383       41.75845 
1 1 1 10  20  20 f 41.08688 18.93378 -55.90089      86.15891 -6.019766      296.4868 -60.50179      90.04481 80.71710 36.38358 41.74067 19.27827 38.97643       41.17543 
1 1 1 10  20  21 o 118.0038 34.67810 420.1898       208.5486 440.4928       274.8692 392.6472       320.1458 117.4077 40.43166 111.8008 42.82574 5.606911       58.89620 
1 1 1 10  20  22 o 59.11975 26.14032 -4.061359      145.4791 -51.86778      227.0058 29.25666       189.5106 67.90595 31.08552 68.88956 30.16877 -0.9836121     43.31817 
1 1 1 10  20  23 o 72.25678 28.98241 113.0241       152.4668 195.1423       232.6798 51.23396       201.8358 87.06681 35.48431 71.41168 31.20704 15.65513       47.25479 
1 1 1 10  20  24 o 166.7389 26.85381 795.9809       206.7986 1023.966       254.4807 352.6978       354.8482 186.3440 29.54971 101.2697 42.75090 85.07430       51.96946 
1 1 1 10  20  25 o 96.82307 30.39179 292.0063       156.6384 125.1869       225.9531 446.3475       217.3381 78.01703 33.55690 114.4791 35.77981 -36.46206      49.05365 
1 1 1 10  20  26 o 106.2084 24.32920 326.7498       120.8769 373.9610       141.4843 199.1629       232.5891 111.7537 26.82279 83.57703 34.90287 28.17667       44.01900 
1 1 1 10  20  27 o 80.84643 27.40818 202.2711       126.2112 264.9961       133.0191 -363.8857      399.6337 91.49785 27.88743 67.04531 33.21614 24.45254       43.37074 
1 1 1 10  20  28 o 57.32266 24.43446 54.13120       117.8381 1.897399       134.1861 230.1732       246.3428 54.21568 24.45391 81.73132 35.09468 -27.51564      42.77419 
1 1 1 10  21  0  o 168.3672 14.93731 700.6984       118.9905 0.000000       0.000000 700.6984       118.9905 ?        ?        168.3672 14.93731 0.000000       14.93731 
1 1 1 10  21  1  o 208.9729 11.65568 1063.936       115.9876 0.000000       0.000000 1063.936       115.9876 ?        ?        208.9729 11.65568 0.000000       11.65568 
1 1 1 10  21  2  o 40.29694 16.35969 17.92006       49.23198 0.000000       0.000000 17.92006       49.23198 ?        ?        40.29694 16.35969 0.000000       16.35969 
1 1 1 10  21  3  o 223.1245 11.65106 1212.320       123.8551 0.000000       0.000000 1212.320       123.8551 ?        ?        223.1245 11.65106 0.000000       11.65106 
1 1 1 10  21  4  o 140.9133 15.78647 494.1375       104.5259 0.000000       0.000000 494.1375       104.5259 ?        ?        140.9133 15.78647 0.000000       15.78647 
1 1 1 10  21  5  o 270.2017 13.53145 1787.387       174.2435 0.000000       0.000000 1787.387       174.2435 ?        ?        270.2017 13.53145 0.000000       13.53145 
1 1 1 10  21  6  o 122.4359 17.27939 377.5729       98.33647 0.000000       0.000000 377.5729       98.33647 ?        ?        122.4359 17.27939 0.000000       17.27939 
1 1 1 10  21  7  o 37.12838 15.79819 2.336588       49.10645 0.000000       0.000000 2.336588       49.10645 ?        ?        37.12838 15.79819 0.000000       15.79819 
1 1 1 10  21  8  o 275.4690 20.70824 1918.745       270.7281 0.000000       0.000000 1918.745       270.7281 ?        ?        275.4690 20.70824 0.000000       20.70824 
1 1 1 10  21  9  o 140.6620 12.68786 486.1823       84.40821 0.000000       0.000000 486.1823       84.40821 ?        ?        140.6620 12.68786 0.000000       12.68786 
1 1 1 10  21  10 o 68.78561 17.32338 121.8836       56.92819 0.000000       0.000000 121.8836       56.92819 ?        ?        68.78561 17.32338 0.000000       17.32338 
1 1 1 10  21  11 o 291.8645 10.28337 2067.239       143.2670 0.000000       0.000000 2067.239       143.2670 ?        ?        291.8645 10.28337 0.000000       10.28337 
1 1 1 10  21  12 o 145.0493 16.43637 527.3031       111.9737 0.000000       0.000000 527.3031       111.9737 ?        ?        145.0493 16.43637 0.000000       16.43637 
1 1 1 10  21  13 o 234.5830 13.43487 1352.859       150.0439 0.000000       0.000000 1352.859       150.0439 ?        ?        234.5830 13.43487 0.000000       13.43487 
1 1 1 10  21  14 o 183.6577 14.30481 834.7479       124.6130 0.000000       0.000000 834.7479       124.6130 ?        ?        183.6577 14.30481 0.000000       14.30481 
1 1 1 10  21  15 o 138.3770 16.19315 481.3075       105.1046 0.000000       0.000000 481.3075       105.1046 ?        ?        138.3770 16.19315 0.000000       16.19315 
1 1 1 10  21  16 f 290.3918 11.22532 2058.591       155.5510 0.000000       0.000000 2058.591       155.5510 ?        ?        290.3918 11.22532 0.000000       11.22532 
1 1 1 10  21  17 o 182.2197 13.98697 824.0111       120.9190 0.000000       0.000000 824.0111       120.9190 ?        ?        182.2197 13.98697 0.000000       13.98697 
1 1 1 10  21  18 o 246.0386 15.13967 1512.585       177.2229 0.000000       0.000000 1512.585       177.2229 ?        ?        246.0386 15.13967 0.000000       15.13967 
1 1 1 10  21  19 f 38.79197 16.92369 -5.426937      59.14319 -450.9511      174.5394 52.36440       62.86216 40.87506 20.50994 50.59867 19.07124 -9.723602      28.00660 
1 1 1 10  21  20 o 159.9499 12.59384 636.5782       95.52898 870.2430       208.4227 574.4357       107.4838 177.6122 25.25606 150.5917 15.13407 27.02054       29.44331 
1 1 1 10  21  21 o 71.88225 18.75554 138.8623       65.12436 405.3502       182.3227 99.88953       69.72400 114.3011 32.06789 61.95155 20.35843 52.34953       37.98441 
1 1 1 10  21  22 o 100.7635 16.65126 265.4850       77.41626 379.6210       195.6128 244.2880       84.29904 108.0919 33.96776 95.30231 19.16660 12.78956       39.00215 
1 1 1 10  21  23 o 90.62583 26.71105 243.7388       123.5778 274.9651       152.1246 183.1485       211.9046 94.20300 29.99961 82.38121 33.75292 11.82178       45.15790 
1 1 1 10  21  24 o 153.1657 19.97496 636.4885       142.7885 726.7369       179.1250 479.1827       236.4878 159.5760 24.24047 114.1983 37.49183 45.37767       44.64569 
1 1 1 10  21  25 o 110.0260 35.54990 447.5728       213.0643 507.8343       258.5486 320.0426       376.1222 111.6241 39.16720 90.84638 40.96177 20.77767       56.67395 
1 1 1 10  21  26 o 99.64726 32.22759 355.7292       175.0752 258.9876       255.0001 441.9944       240.7972 84.19674 35.91873 102.9709 37.59990 -18.77421      51.99911 
1 1 1 10  22  0  o 151.3292 16.82743 577.7785       119.6880 0.000000       0.000000 577.7785       119.6880 ?        ?        151.3292 16.82743 0.000000       16.82743 
1 1 1 10  22  1  o 132.2551 14.13190 435.2307       87.97234 0.000000       0.000000 435.2307       87.97234 ?        ?        132.2551 14.13190 0.000000       14.13190 
1 1 1 10  22  2  o 63.67234 18.72882 104.0996       60.80626 0.000000       0.000000 104.0996       60.80626 ?        ?        63.67234 18.72882 0.000000       18.72882 
1 1 1 10  22  3  o 76.76111 20.35559 154.5773       75.91056 0.000000       0.000000 154.5773       75.91056 ?        ?        76.76111 20.35559 0.000000       20.35559 
1 1 1 10  22  4  o 184.3754 13.18576 836.7366       115.4622 0.000000       0.000000 836.7366       115.4622 ?        ?        184.3754 13.18576 0.000000       13.18576 
1 1 1 10  22  5  o 205.8124 12.66073 1039.341       123.9743 0.000000       0.000000 1039.341       123.9743 ?        ?        205.8124 12.66073 0.000000       12.66073 
1 1 1 10  22  6  o 139.0406 17.48165 488.7776       113.6444 0.000000       0.000000 488.7776       113.6444 ?        ?        139.0406 17.48165 0.000000       17.48165 
1 1 1 10  22  7  o 126.7342 13.28991 397.6921       79.32745 0.000000       0.000000 397.6921       79.32745 ?        ?        126.7342 13.28991 0.000000       13.28991 
1 1 1 10  22  8  o 191.5670 12.64298 901.4782       115.1446 0.000000       0.000000 901.4782       115.1446 ?        ?        191.5670 12.64298 0.000000       12.64298 
1 1 1 10  22  9  o 75.23084 31.85743 65.99717       198.0589 0.000000       0.000000 65.99717       198.0589 ?        ?        75.23084 31.85743 0.000000       31.85743 
1 1 1 10  22  10 o 66.10822 17.83061 113.3613       57.63848 0.000000       0.000000 113.3613       57.63848 ?        ?        66.10822 17.83061 0.000000       17.83061 
1 1 1 10  22  11 o 49.74426 17.75873 54.93823       53.34333 0.000000       0.000000 54.93823       53.34333 ?        ?        49.74426 17.75873 0.000000       17.75873 
1 1 1 10  22  12 o 210.8292 11.62105 1089.856       116.6813 0.000000       0.000000 1089.856       116.6813 ?        ?        210.8292 11.62105 0.000000       11.62105 
1 1 1 10  22  13 o 171.9911 14.06471 736.4722       114.6407 0.000000       0.000000 736.4722       114.6407 ?        ?        171.9911 14.06471 0.000000       14.06471 
1 1 1 10  22  14 f 135.8174 15.94058 467.5403       101.5387 0.000000       0.000000 467.5403       101.5387 ?        ?        135.8174 15.94058 0.000000       15.94058 
1 1 1 10  22  15 o 173.9618 13.39143 753.5340       110.5188 0.000000       0.000000 753.5340       110.5188 ?        ?        173.9618 13.39143 0.000000       13.39143 
1 1 1 10  22  16 o 143.7790 14.18018 519.8506       96.20580 0.000000       0.000000 519.8506       96.20580 ?        ?        143.7790 14.18018 0.000000       14.18018 
1 1 1 10  22  17 o 59.31526 21.33098 84.42580       77.11342 0.000000       0.000000 84.42580       77.11342 ?        ?        59.31526 21.33098 0.000000       21.33098 
1 1 1 10  22  18 o 60.30147 23.85141 72.52317       101.8535 0.000000       0.000000 72.52317       101.8535 ?        ?        60.30147 23.85141 0.000000       23.85141 
1 1 1 10  22  19 o 54.43019 23.05702 30.77327       103.8071 0.000000       0.000000 30.77327       103.8071 ?        ?        54.43019 23.05702 0.000000       23.05702 
1 1 1 10  22  20 o 43.65957 20.48000 -80.55336      108.0328 0.000000       0.000000 -80.55336      108.0328 ?        ?        43.65957 20.48000 0.000000       20.48000 
1 1 1 10  22  21 o 100.2196 21.35397 280.2494       99.18224 57.00935       313.6667 305.0494       104.5463 78.28226 36.09293 104.4794 21.64244 -26.19716      42.08438 
1 1 1 10  22  22 o 38.88613 18.40993 -80.84608      91.00677 -356.5395      318.9728 -56.41508      94.95354 61.08164 30.15411 41.99097 19.53266 19.09067       35.92764 
1 1 1 10  22  23 o 82.10994 19.29342 189.0297       74.44593 -151.3814      202.3041 242.3472       80.06406 54.64892 26.29714 93.78638 18.51367 -39.13746      32.16047 
1 1 1 10  22  24 o 162.9839 12.61167 678.3330       97.50703 901.3531       226.5422 627.6226       108.0253 167.1833 29.41681 154.9433 14.76106 12.23997       32.91258 
1 1 1 10  23  0  o 98.31770 19.82683 256.3080       89.97487 0.000000       0.000000 256.3080       89.97487 ?        ?        98.31770 19.82683 0.000000       19.82683 
1 1 1 10  23  1  o 97.29942 19.71535 250.7168       88.56567 0.000000       0.000000 250.7168       88.56567 ?        ?        97.29942 19.71535 0.000000       19.71535 
1 1 1 10  23  2  o 95.36710 18.81400 239.0821       82.73218 0.000000       0.000000 239.0821       82.73218 ?        ?        95.36710 18.81400 0.000000       18.81400 
1 1 1 10  23  3  o 27.17626 12.97304 -59.57945      47.10058 0.000000       0.000000 -59.57945      47.10058 ?        ?        27.17626 12.97304 0.000000       12.97304 
1 1 1 10  23  4  o 221.5815 12.47509 1212.917       131.6218 0.000000       0.000000 1212.917       131.6218 ?        ?        221.5815 12.47509 0.000000       12.47509 
1 1 1 10  23  5  f 142.2062 26.66217 562.1226       174.6106 0.000000       0.000000 562.1226       174.6106 ?        ?        142.2062 26.66217 0.000000       26.66217 
1 1 1 10  23  6  o 83.77164 22.42778 190.9872       91.60451 0.000000       0.000000 190.9872       91.60451 ?        ?        83.77164 22.42778 0.000000       22.42778 
1 1 1 10  23  7  o 160.9560 15.51736 654.3475       117.9296 0.000000       0.000000 654.3475       117.9296 ?        ?        160.9560 15.51736 0.000000       15.51736 
1 1 1 10  23  8  o 144.5920 14.36469 525.2457       97.98815 0.000000       0.000000 525.2457       97.98815 ?        ?        144.5920 14.36469 0.000000       14.36469 
1 1 1 10  23  9  o 86.95297 21.68262 205.4724       89.82487 0.000000       0.000000 205.4724       89.82487 ?        ?        86.95297 21.68262 0.000000       21.68262 
1 1 1 10  23  10 o 153.4325 11.92247 582.9222       86.77061 0.000000       0.000000 582.9222       86.77061 ?        ?        153.4325 11.92247 0.000000       11.92247 
1 1 1 10  23  11 o 81.86118 17.63201 176.6447       66.96578 0.000000       0.000000 176.6447       66.96578 ?        ?        81.86118 17.63201 0.000000       17.63201 
1 1 1 10  23  12 o 136.4214 14.12572 469.0410       90.79866 0.000000       0.000000 469.0410       90.79866 ?        ?        136.4214 14.12572 0.000000       14.12572 
1 1 1 10  23  13 o 79.67722 17.41424 167.8228       64.47915 0.000000       0.000000 167.8228       64.47915 ?        ?        79.67722 17.41424 0.000000       17.41424 
1 1 1 10  23  14 o 180.7764 14.72828 826.5946       126.1902 0.000000       0.000000 826.5946       126.1902 ?        ?        180.7764 14.72828 0.000000       14.72828 
1 1 1 10  23  15 o 94.99822 22.83942 252.2445       102.4480 0.000000       0.000000 252.2445       102.4480 ?        ?        94.99822 22.83942 0.000000       22.83942 
1 1 1 10  23  16 o 62.38254 23.68463 91.55635       97.36656 0.000000       0.000000 91.55635       97.36656 ?        ?        62.38254 23.68463 0.000000       23.68463 
1 1 1 10  23  17 o 130.3018 16.36364 442.6154       99.69624 0.000000       0.000000 442.6154       99.69624 ?        ?        130.3018 16.36364 0.000000       16.36364 
1 1 1 10  23  18 o 92.61487 19.32255 235.4088       82.78517 0.000000       0.000000 235.4088       82.78517 ?        ?        92.61487 19.32255 0.000000       19.32255 
1 1 1 10  23  19 f 37.52817 17.09325 -27.86918      67.52902 0.000000       0.000000 -27.86918      67.52902 ?        ?        37.52817 17.09325 0.000000       17.09325 
1 1 1 10  23  20 o 94.20950 20.00606 249.3842       87.32151 0.000000       0.000000 249.3842       87.32151 ?        ?        94.20950 20.00606 0.000000       20.00606 
1 1 1 10  24  0  o 68.86198 22.55812 129.2022       85.63322 0.000000       0.000000 129.2022       85.63322 ?        ?        68.86198 22.55812 0.000000       22.55812 
1 1 1 10  24  1  f 58.37385 23.75097 60.47474       104.0370 0.000000       0.000000 60.47474       104.0370 ?        ?        58.37385 23.75097 0.000000       23.75097 
1 1 1 10  24  2  o 110.1549 14.61315 310.7685       75.06178 0.000000       0.000000 310.7685       75.06178 ?        ?        110.1549 14.61315 0.000000       14.61315 
1 1 1 10  24  3  o 20.16456 10.13095 -125.7934      43.27323 0.000000       0.000000 -125.7934      43.27323 ?        ?        20.16456 10.13095 0.000000       10.13095 
1 1 1 10  24  4  o 77.85670 17.74761 162.0967       64.58727 0.000000       0.000000 162.0967       64.58727 ?        ?        77.85670 17.74761 0.000000       17.74761 
1 1 1 10  24  5  o 62.57214 25.79144 68.30836       124.6943 0.000000       0.000000 68.30836       124.6943 ?        ?        62.57214 25.79144 0.000000       25.79144 
1 1 1 10  24  6  o 63.01866 22.14487 101.7655       82.67081 0.000000       0.000000 101.7655       82.67081 ?        ?        63.01866 22.14487 0.000000       22.14487 
1 1 1 10  24  7  o 162.5013 14.81146 672.4174       113.8069 0.000000       0.000000 672.4174       113.8069 ?        ?        162.5013 14.81146 0.000000       14.81146 
1 1 1 10  24  8  o 179.3996 14.61528 817.9725       124.2685 0.000000       0.000000 817.9725       124.2685 ?        ?        179.3996 14.61528 0.000000       14.61528 
1 1 1 10  24  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  24  10 o 77.92910 34.80542 90.85184       264.5449 0.000000       0.000000 90.85184       264.5449 ?        ?        77.92910 34.80542 0.000000       34.80542 
1 1 1 10  24  11 o 98.83633 16.09864 255.9722       73.45435 0.000000       0.000000 255.9722       73.45435 ?        ?        98.83633 16.09864 0.000000       16.09864 
1 1 1 10  24  12 o 29.50173 13.69269 -34.68456      46.26377 0.000000       0.000000 -34.68456      46.26377 ?        ?        29.50173 13.69269 0.000000       13.69269 
1 1 1 10  24  13 o 142.8291 14.75157 525.2913       99.28333 0.000000       0.000000 525.2913       99.28333 ?        ?        142.8291 14.75157 0.000000       14.75157 
1 1 1 10  24  14 o 90.21542 15.68212 214.7932       65.18459 0.000000       0.000000 214.7932       65.18459 ?        ?        90.21542 15.68212 0.000000       15.68212 
1 1 1 10  24  15 f 81.97813 17.01471 181.5062       64.49963 0.000000       0.000000 181.5062       64.49963 ?        ?        81.97813 17.01471 0.000000       17.01471 
1 1 1 11  -13 0  o 76.42190 23.44260 174.3821       93.80110 174.3821       93.80110 0.000000       0.000000 76.42190 23.44260 ?        ?        0.000000       23.44260 
1 1 1 11  -13 1  o 112.9785 17.85292 346.7780       93.23045 346.7780       93.23045 0.000000       0.000000 112.9785 17.85292 ?        ?        0.000000       17.85292 
1 1 1 11  -13 2  o 113.6127 20.42795 362.7021       106.8795 362.7021       106.8795 0.000000       0.000000 113.6127 20.42795 ?        ?        0.000000       20.42795 
1 1 1 11  -13 3  o 130.6532 25.07587 510.9813       150.9391 510.9813       150.9391 0.000000       0.000000 130.6532 25.07587 ?        ?        0.000000       25.07587 
1 1 1 11  -13 4  o 96.77265 28.64666 305.8782       141.8832 305.8782       141.8832 0.000000       0.000000 96.77265 28.64666 ?        ?        0.000000       28.64666 
1 1 1 11  -13 5  o 63.91026 26.75546 88.76172       137.1803 88.76172       137.1803 0.000000       0.000000 63.91026 26.75546 ?        ?        0.000000       26.75546 
1 1 1 11  -13 6  o 47.24713 22.31331 -83.45747      132.1564 -83.45747      132.1564 0.000000       0.000000 47.24713 22.31331 ?        ?        0.000000       22.31331 
1 1 1 11  -13 7  o 82.10648 27.72901 218.0950       129.1778 218.0950       129.1778 0.000000       0.000000 82.10648 27.72901 ?        ?        0.000000       27.72901 
1 1 1 11  -13 8  o 52.40261 22.33316 37.81079       98.41048 37.81079       98.41048 0.000000       0.000000 52.40261 22.33316 ?        ?        0.000000       22.33316 
1 1 1 11  -12 0  o 94.19675 17.06776 234.9688       74.03424 234.9688       74.03424 0.000000       0.000000 94.19675 17.06776 ?        ?        0.000000       17.06776 
1 1 1 11  -12 1  o 84.56827 20.94868 198.6384       84.25562 198.6384       84.25562 0.000000       0.000000 84.56827 20.94868 ?        ?        0.000000       20.94868 
1 1 1 11  -12 2  o 41.28069 18.38796 -14.38002      73.32410 -14.38002      73.32410 0.000000       0.000000 41.28069 18.38796 ?        ?        0.000000       18.38796 
1 1 1 11  -12 3  o 43.56928 20.75699 -116.3372      119.3334 -116.3372      119.3334 0.000000       0.000000 43.56928 20.75699 ?        ?        0.000000       20.75699 
1 1 1 11  -12 4  o 80.98434 25.67732 190.0219       111.5496 190.0219       111.5496 0.000000       0.000000 80.98434 25.67732 ?        ?        0.000000       25.67732 
1 1 1 11  -12 5  o 80.81334 22.45189 184.2541       89.84368 184.2541       89.84368 0.000000       0.000000 80.81334 22.45189 ?        ?        0.000000       22.45189 
1 1 1 11  -12 6  o 89.79217 26.42660 238.8281       121.0340 238.8281       121.0340 0.000000       0.000000 89.79217 26.42660 ?        ?        0.000000       26.42660 
1 1 1 11  -12 7  o 116.2942 16.27771 352.7270       88.02708 352.7270       88.02708 0.000000       0.000000 116.2942 16.27771 ?        ?        0.000000       16.27771 
1 1 1 11  -12 8  o 54.09558 19.09268 72.15748       61.50198 72.15748       61.50198 0.000000       0.000000 54.09558 19.09268 ?        ?        0.000000       19.09268 
1 1 1 11  -12 9  o 55.44843 22.54852 55.03894       93.70956 55.03894       93.70956 0.000000       0.000000 55.44843 22.54852 ?        ?        0.000000       22.54852 
1 1 1 11  -12 10 o 79.91348 24.54852 187.2372       102.8145 187.2372       102.8145 0.000000       0.000000 79.91348 24.54852 ?        ?        0.000000       24.54852 
1 1 1 11  -12 11 o 277.1401 11.86632 1925.183       156.8619 1925.183       156.8619 0.000000       0.000000 277.1401 11.86632 ?        ?        0.000000       11.86632 
1 1 1 11  -12 12 o 85.10130 20.39697 204.7257       81.90499 303.7375       214.9450 187.9071       88.58865 91.68289 35.09806 80.40968 22.27741 11.27322       41.57111 
1 1 1 11  -12 13 o 101.1804 14.31699 267.1097       67.32345 233.2389       134.8016 278.3654       77.70872 85.07902 28.32119 101.9919 16.49974 -16.91287      32.77699 
1 1 1 11  -12 14 o 47.71855 18.36171 49.35604       59.03533 -91.02779      289.9545 55.42715       60.29836 65.99423 31.68560 49.24960 18.65243 16.74463       36.76806 
1 1 1 11  -11 0  o 64.01603 19.84907 106.9240       67.03204 106.9240       67.03204 0.000000       0.000000 64.01603 19.84907 ?        ?        0.000000       19.84907 
1 1 1 11  -11 1  o 157.7633 12.03604 615.5649       90.09635 615.5649       90.09635 0.000000       0.000000 157.7633 12.03604 ?        ?        0.000000       12.03604 
1 1 1 11  -11 2  o 236.8776 12.27225 1385.203       138.5074 1385.203       138.5074 0.000000       0.000000 236.8776 12.27225 ?        ?        0.000000       12.27225 
1 1 1 11  -11 3  o 65.74358 30.64326 -108.5316      235.5697 -108.5316      235.5697 0.000000       0.000000 65.74358 30.64326 ?        ?        0.000000       30.64326 
1 1 1 11  -11 4  o 148.4941 12.36973 546.8719       87.02000 546.8719       87.02000 0.000000       0.000000 148.4941 12.36973 ?        ?        0.000000       12.36973 
1 1 1 11  -11 5  o 132.1821 13.81480 438.2326       86.01477 438.2326       86.01477 0.000000       0.000000 132.1821 13.81480 ?        ?        0.000000       13.81480 
1 1 1 11  -11 6  o 182.7322 12.46089 827.9186       108.2097 827.9186       108.2097 0.000000       0.000000 182.7322 12.46089 ?        ?        0.000000       12.46089 
1 1 1 11  -11 7  o 155.8976 11.66060 601.3197       86.28022 601.3197       86.28022 0.000000       0.000000 155.8976 11.66060 ?        ?        0.000000       11.66060 
1 1 1 11  -11 8  o 67.36615 21.60796 120.3212       78.81269 120.3212       78.81269 0.000000       0.000000 67.36615 21.60796 ?        ?        0.000000       21.60796 
1 1 1 11  -11 9  o 177.5011 12.08104 782.2942       101.9102 782.2942       101.9102 0.000000       0.000000 177.5011 12.08104 ?        ?        0.000000       12.08104 
1 1 1 11  -11 10 o 38.24965 17.15623 -20.40385      65.01582 -20.40385      65.01582 0.000000       0.000000 38.24965 17.15623 ?        ?        0.000000       17.15623 
1 1 1 11  -11 11 o 201.0990 8.768796 987.5029       84.10329 1022.930       125.3961 958.5358       113.3883 202.1385 13.04523 196.2401 12.14523 5.898392       17.82371 
1 1 1 11  -11 12 o 91.56503 13.86623 214.4799       58.80327 327.7177       119.2832 178.1259       67.58644 107.7612 23.79032 81.63699 17.81812 26.12418       29.72314 
1 1 1 11  -11 13 o 149.8227 12.48714 562.6512       88.63104 0.000000       0.000000 562.6512       88.63104 ?        ?        149.8227 12.48714 0.000000       12.48714 
1 1 1 11  -11 14 o 125.4161 13.22914 398.3917       78.12828 551.3133       180.3638 363.0705       86.68284 135.2860 28.77205 118.3407 15.70874 16.94536       32.78102 
1 1 1 11  -11 15 o 140.1784 12.86047 497.0958       85.22831 521.0763       192.0932 491.2180       95.10132 127.2061 31.70109 138.2605 14.60793 -11.05441      34.90488 
1 1 1 11  -11 16 o 58.93356 19.50553 93.01606       63.96511 -6.816065      288.6543 98.17153       65.59595 71.62374 33.55880 60.27334 19.74325 11.35040       38.93570 
1 1 1 11  -11 17 o 83.98313 18.60012 195.1847       72.71159 307.1805       282.2599 187.2243       75.25130 89.90224 38.04883 81.67272 19.53531 8.229515       42.77081 
1 1 1 11  -10 0  o 216.7575 9.181351 1140.874       94.93018 1140.874       94.93018 0.000000       0.000000 216.7575 9.181351 ?        ?        0.000000       9.181351 
1 1 1 11  -10 1  o 175.0077 12.21361 753.5237       101.5489 753.5237       101.5489 0.000000       0.000000 175.0077 12.21361 ?        ?        0.000000       12.21361 
1 1 1 11  -10 2  o 179.7427 12.76285 796.5787       108.9615 796.5787       108.9615 0.000000       0.000000 179.7427 12.76285 ?        ?        0.000000       12.76285 
1 1 1 11  -10 3  o 48.68577 19.35960 36.39771       67.43988 36.39771       67.43988 0.000000       0.000000 48.68577 19.35960 ?        ?        0.000000       19.35960 
1 1 1 11  -10 4  o 174.6632 10.42763 744.7726       86.67896 744.7726       86.67896 0.000000       0.000000 174.6632 10.42763 ?        ?        0.000000       10.42763 
1 1 1 11  -10 5  o 77.59212 16.89547 155.9535       60.89481 155.9535       60.89481 0.000000       0.000000 77.59212 16.89547 ?        ?        0.000000       16.89547 
1 1 1 11  -10 6  o 148.7060 14.88022 552.8577       104.3710 552.8577       104.3710 0.000000       0.000000 148.7060 14.88022 ?        ?        0.000000       14.88022 
1 1 1 11  -10 7  o 169.9608 11.48326 708.7366       92.76099 708.7366       92.76099 0.000000       0.000000 169.9608 11.48326 ?        ?        0.000000       11.48326 
1 1 1 11  -10 8  o 133.0578 13.18249 439.4725       82.75715 439.4725       82.75715 0.000000       0.000000 133.0578 13.18249 ?        ?        0.000000       13.18249 
1 1 1 11  -10 9  o 135.6827 11.65719 453.3619       74.88604 453.3619       74.88604 0.000000       0.000000 135.6827 11.65719 ?        ?        0.000000       11.65719 
1 1 1 11  -10 10 o 253.6422 10.99523 1573.350       133.0152 1573.350       133.0152 0.000000       0.000000 253.6422 10.99523 ?        ?        0.000000       10.99523 
1 1 1 11  -10 11 o 212.2092 8.211680 1091.380       83.15419 1086.662       117.2776 1096.149       117.9205 210.2758 11.71216 211.1879 11.72520 -0.9120789     16.57272 
1 1 1 11  -10 12 o 185.3059 9.835531 838.6064       86.82346 1132.367       197.3077 768.0643       96.68777 208.8806 20.00182 176.6244 11.51293 32.25624       23.07857 
1 1 1 11  -10 13 o 100.2922 15.38926 257.3439       71.43678 150.1186       246.9445 267.1364       74.62757 84.83351 35.72979 102.0411 15.80822 -17.20760      39.07067 
1 1 1 11  -10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -10 15 o 132.5275 12.60211 439.5013       78.88705 379.6831       248.5250 446.2036       83.18920 106.0554 38.27407 133.2414 13.23402 -27.18596      40.49746 
1 1 1 11  -10 16 o 49.30515 19.42962 44.07109       67.36239 46.21984       152.6780 43.55170       75.06344 64.02227 27.56137 50.76429 20.34466 13.25798       34.25689 
1 1 1 11  -10 17 o 121.8399 15.86722 383.6815       90.23336 530.3024       176.0532 331.4428       105.0854 133.6673 28.42480 110.3294 20.68213 23.33788       35.15281 
1 1 1 11  -10 18 o 95.76649 20.26457 252.0509       89.88247 249.5635       284.1366 252.3275       94.74802 90.03821 38.14385 95.17056 21.35049 -5.132347      43.71266 
1 1 1 11  -10 19 o 114.0886 15.26455 338.9104       81.17239 466.4996       189.7434 310.3291       89.80508 118.3510 32.53109 107.3593 18.14232 10.99172       37.24804 
1 1 1 11  -10 20 o 66.92534 21.42722 126.4509       77.52586 332.2605       220.1939 97.32870       82.82943 94.64198 35.68859 60.81927 22.07555 33.82271       41.96433 
1 1 1 11  -9  0  o 139.9761 10.15798 477.1611       67.51566 477.1611       67.51566 0.000000       0.000000 139.9761 10.15798 ?        ?        0.000000       10.15798 
1 1 1 11  -9  1  o 133.4694 10.06832 433.8366       63.77241 433.8366       63.77241 0.000000       0.000000 133.4694 10.06832 ?        ?        0.000000       10.06832 
1 1 1 11  -9  2  o 326.9500 7.896585 2576.060       123.4324 2576.060       123.4324 0.000000       0.000000 326.9500 7.896585 ?        ?        0.000000       7.896585 
1 1 1 11  -9  3  o 286.1043 8.078923 1974.875       110.3955 1974.875       110.3955 0.000000       0.000000 286.1043 8.078923 ?        ?        0.000000       8.078923 
1 1 1 11  -9  4  f 185.1360 9.963650 832.2795       87.86478 832.2795       87.86478 0.000000       0.000000 185.1360 9.963650 ?        ?        0.000000       9.963650 
1 1 1 11  -9  5  f 163.0791 10.85700 648.3755       84.16587 648.3755       84.16587 0.000000       0.000000 163.0791 10.85700 ?        ?        0.000000       10.85700 
1 1 1 11  -9  6  o 123.4039 12.00257 374.4160       69.91914 374.4160       69.91914 0.000000       0.000000 123.4039 12.00257 ?        ?        0.000000       12.00257 
1 1 1 11  -9  7  o 218.2776 14.79671 1178.670       153.5000 1178.670       153.5000 0.000000       0.000000 218.2776 14.79671 ?        ?        0.000000       14.79671 
1 1 1 11  -9  8  f 181.5933 10.55857 803.4351       91.27168 803.4351       91.27168 0.000000       0.000000 181.5933 10.55857 ?        ?        0.000000       10.55857 
1 1 1 11  -9  9  o 85.76775 18.67917 191.1839       74.41889 191.1839       74.41889 0.000000       0.000000 85.76775 18.67917 ?        ?        0.000000       18.67917 
1 1 1 11  -9  10 o 170.2197 12.14269 711.1755       98.16838 711.1755       98.16838 0.000000       0.000000 170.2197 12.14269 ?        ?        0.000000       12.14269 
1 1 1 11  -9  11 o 196.2254 9.362572 934.8328       87.57982 1078.925       194.0632 897.9802       98.14244 205.4401 20.01164 191.8417 10.74345 13.59839       22.71316 
1 1 1 11  -9  12 o 81.17203 13.99104 166.5586       52.33559 277.1262       174.9116 155.6864       54.84837 99.14693 32.22404 78.05463 15.24501 21.09231       35.64827 
1 1 1 11  -9  13 f 369.6713 8.448068 3304.622       149.3075 3661.251       268.2620 3144.567       179.7156 384.4836 14.62059 359.3601 10.47155 25.12354       17.98374 
1 1 1 11  -9  14 o 150.1810 11.33996 553.6382       80.81909 571.2380       247.3136 551.5339       85.51401 137.0850 36.91745 149.6412 12.05496 -12.55617      38.83582 
1 1 1 11  -9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -9  16 o 116.2978 13.45089 338.5202       73.41083 389.9539       175.6219 327.6306       80.80934 115.1841 31.14878 113.6754 15.25381 1.508705       34.68321 
1 1 1 11  -9  17 o 71.72343 20.13838 137.8709       71.87339 56.57665       300.8955 142.7899       74.01595 82.18724 36.88233 72.89679 20.42507 9.290451       42.16029 
1 1 1 11  -9  18 o 98.56593 13.84292 246.6670       63.43699 531.0021       196.1846 213.4663       67.03841 132.4894 31.44655 90.67995 16.05062 41.80948       35.30592 
1 1 1 11  -9  19 o 62.69073 23.14712 94.91051       91.66447 164.7182       332.7126 89.17662       95.35477 88.59267 39.33300 62.06752 23.46753 26.52515       45.80185 
1 1 1 11  -9  20 o 106.0551 15.61359 291.0298       76.80002 472.8439       215.7517 264.6493       82.18306 119.1461 35.33939 99.91463 17.86020 19.23145       39.59620 
1 1 1 11  -9  21 o 35.38421 17.09780 -118.6155      87.67963 -44.63361      210.3365 -134.1748      96.46005 63.40042 29.34616 36.69853 17.78102 26.70189       34.31271 
1 1 1 11  -9  22 o 227.1707 13.36905 1310.125       144.5563 1688.283       404.4562 1254.745       154.7799 213.1198 41.18583 220.9272 14.73831 -7.807358      43.74347 
1 1 1 11  -9  23 o 66.46063 24.85852 121.2204       106.3658 -112.1925      239.2450 178.7226       118.7470 61.06963 29.17607 76.56695 26.56492 -15.49731      39.45806 
1 1 1 11  -8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -8  2  o 170.5238 8.326272 702.1894       67.67512 702.1894       67.67512 0.000000       0.000000 170.5238 8.326272 ?        ?        0.000000       8.326272 
1 1 1 11  -8  3  o 177.5411 8.635201 761.5713       73.07607 761.5713       73.07607 0.000000       0.000000 177.5411 8.635201 ?        ?        0.000000       8.635201 
1 1 1 11  -8  4  o 101.3726 12.42464 253.4234       58.95863 253.4234       58.95863 0.000000       0.000000 101.3726 12.42464 ?        ?        0.000000       12.42464 
1 1 1 11  -8  5  o 312.1795 7.985847 2347.757       119.0905 2347.757       119.0905 0.000000       0.000000 312.1795 7.985847 ?        ?        0.000000       7.985847 
1 1 1 11  -8  6  o 74.17410 17.67874 141.2937       61.80033 141.2937       61.80033 0.000000       0.000000 74.17410 17.67874 ?        ?        0.000000       17.67874 
1 1 1 11  -8  7  f 144.4646 10.33294 507.3326       70.89515 507.3326       70.89515 0.000000       0.000000 144.4646 10.33294 ?        ?        0.000000       10.33294 
1 1 1 11  -8  8  o 293.7196 8.195179 2079.555       114.9675 2079.555       114.9675 0.000000       0.000000 293.7196 8.195179 ?        ?        0.000000       8.195179 
1 1 1 11  -8  9  o 200.7653 7.065059 970.2164       67.70728 856.7293       91.54629 1107.254       100.5976 187.9187 10.22828 213.8070 9.868022 -25.88829      14.21251 
1 1 1 11  -8  10 o 171.8690 9.422869 715.5796       77.13017 682.9945       154.1199 726.4677       89.08933 164.1436 20.05532 172.8094 10.83783 -8.665802      22.79637 
1 1 1 11  -8  11 o 196.0969 9.359862 931.1547       87.49695 737.0901       174.3482 996.4846       101.1580 169.4565 22.04230 202.5490 10.48194 -33.09245      24.40766 
1 1 1 11  -8  12 o 408.1880 8.323213 4018.821       162.4275 3638.073       265.3428 4246.995       205.4100 384.6722 14.45378 418.6430 10.26288 -33.97083      17.72677 
1 1 1 11  -8  13 o 43.88173 16.25462 38.29709       45.26667 -36.95412      201.9248 42.27894       46.44886 67.48849 30.25560 45.21105 16.51307 22.27744       34.46858 
1 1 1 11  -8  14 o 138.2710 11.47050 468.6803       75.14490 726.4088       226.9737 436.9532       79.63596 162.1110 30.40220 133.1126 12.66606 28.99843       32.93513 
1 1 1 11  -8  15 o 64.29784 18.64236 106.5148       60.62819 177.4490       254.8657 102.2600       62.42003 91.52830 37.19897 63.22497 19.06889 28.30333       41.80175 
1 1 1 11  -8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -8  17 o 160.5663 13.51845 638.6163       102.8113 852.1114       300.9303 610.4039       109.3936 167.5751 38.38814 156.4149 14.80490 11.16023       41.14407 
1 1 1 11  -8  18 o 121.2622 15.95644 372.2786       90.26347 324.2049       194.2199 385.5227       101.9416 105.1757 33.93785 122.5742 17.92576 -17.39851      38.38113 
1 1 1 11  -8  19 o 83.14912 22.95833 188.0873       94.26447 343.2229       321.1971 173.4662       98.60654 106.2287 42.24693 79.89807 23.93784 26.33063       48.55743 
1 1 1 11  -8  20 o 132.3087 17.89738 453.6894       110.3100 607.2838       341.2816 435.7709       116.5670 128.0911 44.99528 128.6960 19.56025 -0.6049042     49.06301 
1 1 1 11  -8  21 o 62.81563 23.58762 91.97945       95.96461 131.8327       208.7522 81.30050       108.0596 78.92696 33.02105 62.56385 24.62264 16.36311       41.19058 
1 1 1 11  -8  22 f 35.86609 16.80797 -61.18874      72.46732 -290.0275      349.8606 -50.93061      74.07375 68.94618 33.51177 37.40223 17.34802 31.54396       37.73583 
1 1 1 11  -8  23 o 62.81564 22.30471 101.5198       84.04195 150.6990       206.5433 91.76186       92.00257 78.85616 32.90794 61.67968 23.10923 17.17648       40.21155 
1 1 1 11  -8  24 f 60.97955 26.43375 44.95380       142.3721 140.4194       361.5688 27.43587       154.8849 83.67664 38.64109 60.93867 26.95703 22.73797       47.11492 
1 1 1 11  -8  25 o 46.14157 21.99050 -110.9603      134.1898 -200.4489      243.5624 -71.95795      160.7948 57.83484 28.07637 53.30597 24.99876 4.528873       37.59283 
1 1 1 11  -7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -7  5  o 133.7003 9.164384 432.9879       58.22505 432.9879       58.22505 0.000000       0.000000 133.7003 9.164384 ?        ?        0.000000       9.164384 
1 1 1 11  -7  6  o 226.9544 8.252327 1241.601       89.39223 1241.601       89.39223 0.000000       0.000000 226.9544 8.252327 ?        ?        0.000000       8.252327 
1 1 1 11  -7  7  o 232.2157 8.215411 1299.715       91.06351 1299.715       91.06351 0.000000       0.000000 232.2157 8.215411 ?        ?        0.000000       8.215411 
1 1 1 11  -7  8  o 246.1922 8.564375 1461.825       100.6506 1461.825       100.6506 0.000000       0.000000 246.1922 8.564375 ?        ?        0.000000       8.564375 
1 1 1 11  -7  9  o 52.09850 12.56396 68.56908       30.92805 6.375864       63.69114 87.75949       35.37933 42.74494 18.08161 58.95988 12.90976 -16.21494      22.21726 
1 1 1 11  -7  10 o 72.83375 12.21293 132.1643       41.02261 192.5327       157.2367 127.7550       42.49433 87.93668 30.56516 71.42290 12.92021 16.51378       33.18374 
1 1 1 11  -7  11 o 76.50024 13.14422 146.3050       46.34165 -56.49232      172.7863 162.0234       48.10405 61.78099 27.81802 80.65431 12.91042 -18.87333      30.66792 
1 1 1 11  -7  12 o 139.5665 10.39115 473.5805       68.83759 469.5672       197.1875 474.1375       73.45915 130.8150 31.83515 139.4831 11.10748 -8.668045      33.71725 
1 1 1 11  -7  13 o 107.6562 11.51358 284.1718       58.34044 300.9782       134.5321 280.2792       64.74507 106.1494 26.57318 106.5504 12.97730 -0.4009933     29.57269 
1 1 1 11  -7  14 o 44.29709 16.88485 34.99050       49.60646 265.3784       222.2115 22.90666       50.89077 101.1836 36.23153 41.90375 16.76587 59.27984       39.92265 
1 1 1 11  -7  15 o 85.92157 16.79561 188.2518       66.51930 189.1735       244.8972 188.1783       69.11784 93.65686 37.00327 85.72180 17.45891 7.935059       40.91523 
1 1 1 11  -7  16 o 88.81483 14.76422 198.7379       60.49079 230.4583       159.0079 193.3704       65.40880 92.85207 30.75438 87.13003 16.30125 5.722046       34.80751 
1 1 1 11  -7  17 o 119.8886 18.32991 366.8171       101.7303 0.000000       0.000000 366.8171       101.7303 ?        ?        119.8886 18.32991 0.000000       18.32991 
1 1 1 11  -7  18 o 121.8941 17.49366 377.7091       99.02873 330.9428       279.7296 384.4100       105.8860 108.1219 40.33860 122.5023 18.66871 -14.38039      44.44911 
1 1 1 11  -7  19 o 141.0363 13.85933 494.0462       92.24478 586.6000       180.4067 461.2827       107.3371 147.0835 26.63591 134.9700 17.01138 12.11348       31.60472 
1 1 1 11  -7  20 o 109.5364 23.79334 323.1723       121.0281 386.5697       287.6445 309.5343       133.4123 112.7140 41.10466 105.9509 26.42755 6.763062       48.86725 
1 1 1 11  -7  21 o 44.88692 20.72956 -65.56577      104.0792 -194.0524      176.9966 2.343942       128.6773 52.01168 24.91496 57.10843 24.93778 -5.096745      35.25122 
1 1 1 11  -7  22 o 272.6498 12.06821 1834.118       156.9202 1877.953       291.1201 1816.166       186.3016 265.1430 23.19938 269.4496 14.51566 -4.306549      27.36632 
1 1 1 11  -7  23 o 206.3955 14.94105 1076.255       146.4333 1553.563       345.5476 971.7762       161.6674 227.3115 32.73927 194.0607 17.61692 33.25082       37.17816 
1 1 1 11  -7  24 o 66.62827 21.92377 118.4703       80.84811 348.8111       203.2547 75.17599       88.11916 103.5475 34.78184 58.61835 22.46455 44.92911       41.40570 
1 1 1 11  -7  25 o 150.6950 17.23071 593.2863       121.9105 528.4807       362.3659 601.5574       129.4567 112.1875 44.78815 150.9478 18.31274 -38.76029      48.38734 
1 1 1 11  -7  26 o 55.30086 24.43175 12.44440       126.8333 -174.3135      220.6320 104.6245       155.0057 56.98021 27.43005 68.76053 28.58650 -11.78032      39.61812 
1 1 1 11  -7  27 o 140.0371 19.47901 538.8129       126.8867 404.8582       417.1757 552.4685       133.1974 94.14019 42.72440 141.0256 20.34301 -46.88537      47.32031 
1 1 1 11  -6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -6  6  o 178.9735 11.89057 778.6755       101.1650 778.6755       101.1650 0.000000       0.000000 178.9735 11.89057 ?        ?        0.000000       11.89057 
1 1 1 11  -6  7  o 350.0089 7.294932 2942.590       122.0699 2942.590       122.0699 0.000000       0.000000 350.0089 7.294932 ?        ?        0.000000       7.294932 
1 1 1 11  -6  8  o 398.3208 7.444592 3812.175       141.7693 3812.175       141.7693 0.000000       0.000000 398.3208 7.444592 ?        ?        0.000000       7.444592 
1 1 1 11  -6  9  o 118.9426 9.065289 342.7411       51.16150 415.7310       102.2478 318.3633       59.09071 129.1150 16.97491 114.2521 10.95193 14.86292       20.20130 
1 1 1 11  -6  10 o 205.9701 8.038566 1021.985       79.00535 1128.177       140.6781 973.0613       95.48557 214.8645 13.76716 200.5491 9.990288 14.31534       17.01001 
1 1 1 11  -6  11 o 69.46165 14.05349 121.6394       45.06537 219.3872       120.9267 105.8747       48.56364 91.42362 26.27441 64.49824 15.86129 26.92538       30.69080 
1 1 1 11  -6  12 o 122.9386 10.42229 367.8088       60.68082 357.6787       143.9126 369.9993       66.92060 116.1787 26.49848 123.0701 11.50703 -6.891426      28.88912 
1 1 1 11  -6  13 o 107.9404 12.83083 287.0497       64.91940 310.9926       152.9749 281.7904       71.69577 107.5066 29.07049 106.5140 14.45166 0.9926529      32.46450 
1 1 1 11  -6  14 o 47.38916 17.15938 46.79027       50.00574 21.14284       159.2625 49.59526       52.66930 66.38402 28.35485 48.67432 17.61243 17.70970       33.37957 
1 1 1 11  -6  15 o 101.4401 14.45676 256.1233       68.12974 115.2124       180.7092 279.4708       73.55772 79.94537 31.72254 105.9083 14.94217 -25.96295      35.06548 
1 1 1 11  -6  16 o 237.5632 9.949893 1365.949       112.7570 1419.204       223.8479 1347.842       130.5260 237.8737 19.86450 235.4490 11.63157 2.424759       23.01938 
1 1 1 11  -6  17 o 298.6882 10.54040 2162.187       150.2804 2116.579       278.4162 2180.938       178.5198 290.2976 20.18630 299.1503 12.50974 -8.852753      23.74826 
1 1 1 11  -6  18 o 46.73157 20.63606 -18.96488      90.38251 -105.1990      146.5674 33.94921       114.8110 52.38804 24.33441 59.13122 24.59444 -6.743179      34.59842 
1 1 1 11  -6  19 f 160.9585 12.45642 635.9336       95.10978 976.8534       181.8082 507.4818       111.5983 196.2258 19.64360 142.1460 16.74232 54.07983       25.81039 
1 1 1 11  -6  20 o 212.1775 13.25655 1107.422       133.8021 1128.302       291.3623 1101.842       150.6242 202.1790 31.14145 210.7907 15.04526 -8.611679      34.58540 
1 1 1 11  -6  21 o 183.1169 15.32182 835.7338       132.9080 908.0192       298.9568 817.9277       148.3775 175.4317 36.81997 180.0629 17.45462 -4.631256      40.74769 
1 1 1 11  -6  22 o 98.62811 25.95216 266.9840       124.0044 467.2306       184.7546 102.8222       167.2819 128.3026 30.55873 74.83530 30.23776 53.46735       42.99021 
1 1 1 11  -6  23 o 159.8589 19.02021 657.5269       142.5182 647.0153       346.1844 659.6720       156.3853 136.7803 45.38122 158.8620 21.11275 -22.08167      50.05200 
1 1 1 11  -6  24 o 99.28955 33.11879 295.7409       184.3226 -79.76266      349.2715 440.6884       217.0009 79.49463 37.13852 118.3975 35.51989 -38.90292      51.39000 
1 1 1 11  -6  25 o 174.8817 21.51462 819.1262       176.0946 1042.205       257.4372 622.9656       241.4059 189.3805 29.38506 138.8827 36.04737 50.49780       46.50693 
1 1 1 11  -6  26 o 75.36817 28.82111 147.8124       144.8340 394.9650       283.5546 60.57001       168.4681 105.4037 40.32185 67.42838 28.98866 37.97530       49.66079 
1 1 1 11  -6  27 f 120.3486 35.66509 497.1394       219.8239 312.2904       417.3482 568.1118       258.6037 96.12779 43.26271 124.4402 39.04887 -28.31239      58.27930 
1 1 1 11  -6  28 f 76.32905 31.23198 161.5163       181.1333 264.4844       255.4770 57.43787       256.8508 87.95057 36.64308 72.74819 33.21246 15.20238       49.45486 
1 1 1 11  -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -5  7  o 128.3352 12.92027 402.8759       78.19532 402.8759       78.19532 0.000000       0.000000 128.3352 12.92027 ?        ?        0.000000       12.92027 
1 1 1 11  -5  8  o 283.2147 5.847260 1922.781       79.17289 1936.214       99.55267 1899.661       130.5979 283.8795 7.341336 280.6424 9.748430 3.237122       12.20357 
1 1 1 11  -5  9  o 74.13430 10.41141 135.0842       35.88538 217.1551       87.21021 118.3558       39.37312 92.03379 20.36045 68.90788 12.40776 23.12592       23.84324 
1 1 1 11  -5  10 o 320.9725 7.745995 2475.333       118.8648 2377.956       187.0126 2541.335       153.9659 313.0722 12.51972 324.5427 9.934732 -11.47049      15.98256 
1 1 1 11  -5  11 o 154.9108 9.451892 580.1929       69.66856 563.1097       143.0461 585.5051       79.76871 149.5243 20.55367 155.3535 10.80735 -5.829208      23.22181 
1 1 1 11  -5  12 o 255.2094 8.399636 1568.415       102.3466 1871.676       184.2207 1433.024       123.0907 277.0864 13.95130 243.3994 10.60329 33.68700       17.52337 
1 1 1 11  -5  13 o 196.7352 8.701961 933.5085       81.64537 1013.071       143.2195 895.2036       99.37424 203.2861 14.83841 192.1705 10.86051 11.11563       18.38828 
1 1 1 11  -5  14 o 160.9485 10.76187 628.8481       82.33420 575.1762       185.3479 642.0427       91.89900 148.0346 27.19052 162.3564 11.92263 -14.32185      29.68962 
1 1 1 11  -5  15 o 342.6562 8.877084 2830.731       145.3019 2858.364       255.0471 2817.452       176.7989 341.2829 15.67323 341.1355 10.85419 0.1473389      19.06472 
1 1 1 11  -5  16 o 243.4154 10.06247 1433.563       116.8486 1876.144       236.5798 1290.762       134.3838 274.9967 18.09513 230.2801 12.25033 44.71663       21.85187 
1 1 1 11  -5  17 o 147.3718 15.34219 537.3122       106.5155 761.0750       252.3879 488.8210       117.4913 167.1059 32.76290 139.5976 18.02461 27.50830       37.39377 
1 1 1 11  -5  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -5  19 o 109.5534 28.48991 323.8828       150.5992 -51.96526      286.1747 467.8355       177.1067 79.66346 35.84111 131.7793 28.90786 -52.11581      46.04617 
1 1 1 11  -5  20 o 296.6090 13.30244 2151.734       188.1557 2133.409       329.8570 2160.573       229.0794 288.0030 24.17937 295.5699 16.27410 -7.566864      29.14598 
1 1 1 11  -5  21 f 68.98743 28.93902 50.88078       160.9778 -21.13124      309.0355 77.69688       188.5835 82.95822 37.29087 75.75295 31.51541 7.205269       48.82448 
1 1 1 11  -5  22 o 40.96811 19.28391 -93.62118      97.23537 -237.5452      188.3205 -41.30408      113.5410 52.56001 25.31228 49.94076 22.51280 2.619244       33.87532 
1 1 1 11  -5  23 o 93.17199 22.69581 232.1174       100.1484 366.7083       207.1309 191.0538       114.4105 112.0140 34.91735 84.35223 25.89293 27.66180       43.47028 
1 1 1 11  -5  24 o 211.0335 18.09893 1128.547       180.8433 1192.716       369.6379 1108.354       207.3542 196.5870 40.67139 206.9471 21.25979 -10.36008      45.89271 
1 1 1 11  -5  25 o 132.5831 21.17102 463.3943       129.6845 600.3865       377.2786 445.0392       138.0994 129.3849 47.09184 128.6575 23.30968 0.7273560      52.54506 
1 1 1 11  -5  26 o 156.8379 22.00360 658.3137       160.4563 807.3445       249.6088 553.3586       209.4707 163.8678 33.00348 134.9963 32.78639 28.87144       46.52072 
1 1 1 11  -5  27 o 103.6135 30.25231 326.5138       159.1586 316.8372       246.0903 333.4718       208.6769 98.82806 37.62265 101.6345 35.21803 -2.806465      51.53420 
1 1 1 11  -5  28 o 101.3609 27.00570 304.0762       133.2174 248.8924       419.1987 310.2753       140.5008 94.89445 42.97152 101.6977 28.00903 -6.803268      51.29383 
1 1 1 11  -5  29 o 100.2868 26.18068 302.4517       126.8513 325.7389       264.6853 295.5081       144.5308 94.74261 38.12243 96.87951 28.97051 -2.136894      47.88121 
1 1 1 11  -5  30 o 107.2290 32.63619 401.5176       182.2634 759.9448       280.7862 140.5203       239.6036 137.6507 40.17964 76.15809 33.61625 61.49265       52.38755 
1 1 1 11  -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -4  8  f 9.360326 4.655400 -20.52891      8.150586 10.29251       51.84446 -21.30999      8.253216 39.84042 16.54526 9.335359 4.649770 30.50506       17.18621 
1 1 1 11  -4  9  o 296.9043 7.284312 2115.708       103.3983 2342.652       162.0665 1959.920       134.2771 311.4648 10.90049 285.1213 9.865490 26.34348       14.70199 
1 1 1 11  -4  10 o 159.4787 8.656492 613.2435       65.75396 485.5535       120.4286 667.4780       78.48544 139.5798 18.50198 166.1833 9.923752 -26.60349      20.99534 
1 1 1 11  -4  11 o 160.5974 8.864707 622.1685       67.79899 672.2332       132.9664 604.5788       78.81438 164.9982 17.10377 158.0156 10.49214 6.982605       20.06549 
1 1 1 11  -4  12 o 123.6753 11.27768 372.3340       65.94955 421.5259       137.1975 357.5520       75.20844 128.2990 23.22205 120.7601 13.24373 7.538895       26.73313 
1 1 1 11  -4  13 o 160.1339 9.719784 620.0175       74.06248 560.4467       129.1814 649.1858       90.39391 149.9953 18.39906 163.4750 11.64209 -13.47969      21.77301 
1 1 1 11  -4  14 f 270.4951 8.937678 1762.864       115.4239 1800.683       202.9822 1744.791       140.3183 271.1798 15.72385 268.5762 10.95091 2.603668       19.16147 
1 1 1 11  -4  15 o 202.0174 10.34756 987.3176       99.60610 1170.392       201.7182 928.2854       114.5448 216.7875 19.67679 195.3783 12.32565 21.40923       23.21848 
1 1 1 11  -4  16 o 116.7468 14.99569 337.6981       81.76836 330.0493       198.3583 339.2639       89.74863 110.6645 34.11608 116.5809 16.56843 -5.916389      37.92650 
1 1 1 11  -4  17 o 243.9669 10.16667 1439.608       118.3219 1852.107       222.6250 1277.215       139.6841 273.9760 17.08122 228.9745 12.81111 45.00150       21.35164 
1 1 1 11  -4  18 o 105.5070 17.52952 280.9959       85.32031 341.1241       163.2799 258.4113       100.0690 112.4169 29.87356 99.88204 21.58651 12.53490       36.85658 
1 1 1 11  -4  19 o 331.9585 14.19454 2694.433       224.7552 2944.688       336.0896 2491.977       302.2935 342.8939 20.59651 315.6693 20.13529 27.22461       28.80358 
1 1 1 11  -4  20 o 221.1710 13.29856 1195.274       139.9685 1395.951       229.2183 1075.957       176.7473 235.6644 20.54982 207.9408 17.95460 27.72369       27.28851 
1 1 1 11  -4  21 o 347.0457 11.96609 2928.155       198.2427 2975.458       369.0143 2908.964       235.0405 342.5500 22.65994 344.6763 14.29442 -2.126373      26.79185 
1 1 1 11  -4  22 o 79.23890 27.57060 154.3212       127.9529 -10.87610      190.1952 290.9014       172.9386 68.22093 30.03803 103.0954 31.86780 -34.87444      43.79315 
1 1 1 11  -4  23 o 166.6616 19.05331 704.6002       149.0899 768.1516       224.8828 654.7630       199.1453 168.1741 29.01798 155.7962 27.75426 12.37788       40.15398 
1 1 1 11  -4  24 o 193.1187 15.53258 928.5242       142.2004 918.2353       245.7908 933.7006       174.3394 183.5291 28.97274 191.6322 19.29137 -8.103104      34.80770 
1 1 1 11  -4  25 o 82.78831 32.01310 157.1407       180.0846 -20.35511      369.5038 212.4350       206.2362 87.48937 39.90141 91.35374 34.51892 -3.864365      52.76057 
1 1 1 11  -4  26 o 152.3068 20.95031 604.6862       148.5146 562.0980       393.2757 611.7698       160.3909 127.2853 47.76007 152.1257 22.75070 -24.84037      52.90197 
1 1 1 11  -4  27 o 138.3447 21.06430 506.7456       134.9298 562.4429       255.7575 485.2646       158.8322 131.8239 38.30944 132.0587 26.08294 -0.2348633     46.34580 
1 1 1 11  -4  28 o 49.28930 22.58175 -51.16160      120.1210 -79.68511      252.4471 -42.81346      136.5727 68.27376 31.78885 53.37703 24.31075 14.89673       40.01929 
1 1 1 11  -4  29 o 78.15584 31.38067 153.3642       178.9361 68.06860       263.3817 226.4799       243.8528 77.34743 34.62402 88.76586 36.26964 -11.41843      50.14289 
1 1 1 11  -4  30 o 65.41014 30.19042 -28.43863      220.3084 207.3849       455.0698 -100.6284      251.7806 91.13371 42.51521 64.91988 30.70129 26.21383       52.44151 
1 1 1 11  -4  31 o 70.52582 30.64523 100.8517       192.2957 444.1568       282.2376 -196.5821      262.7060 102.5975 39.96482 60.28199 29.23970 42.31553       49.51916 
1 1 1 11  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  8  o 316.2847 7.118163 2399.402       107.6352 2220.012       154.8249 2567.205       149.7409 303.4058 10.69025 326.5680 9.601302 -23.16223      14.36894 
1 1 1 11  -3  9  o 213.3327 7.469055 1093.396       76.06079 1143.200       119.9614 1059.914       98.35908 217.3879 11.58427 209.6481 9.840763 7.739822       15.19987 
1 1 1 11  -3  10 f 255.7373 7.599964 1571.130       92.81795 1591.991       143.3927 1556.085       121.7706 256.5651 11.72114 254.0416 10.04584 2.523483       15.43710 
1 1 1 11  -3  11 o 390.7902 7.543056 3665.673       140.9287 3920.772       214.0421 3470.455       187.2422 403.0406 11.11878 379.4227 10.33181 23.61798       15.17807 
1 1 1 11  -3  12 o 106.7082 11.84537 278.2770       59.41342 149.3667       128.8310 313.0999       66.95902 79.86897 27.67205 113.1114 12.59552 -33.24244      30.40377 
1 1 1 11  -3  13 o 229.6053 8.771645 1269.370       96.11073 1582.518       174.0172 1131.919       115.2902 254.9355 14.33530 216.3005 11.18677 38.63501       18.18364 
1 1 1 11  -3  14 o 167.8528 10.20155 681.3674       81.47940 647.8743       139.5920 698.6754       100.3476 161.5653 18.39939 169.5017 12.47025 -7.936432      22.22711 
1 1 1 11  -3  15 o 286.2996 9.309878 1975.119       127.2610 2108.840       220.3030 1908.149       155.9045 293.6988 15.74710 280.7683 11.63979 12.93045       19.58203 
1 1 1 11  -3  16 f 147.4675 12.77682 530.7311       89.19193 822.8300       196.9596 455.3788       100.0369 180.1351 23.42448 135.7788 15.69949 44.35634       28.19894 
1 1 1 11  -3  17 f 107.8241 14.96406 288.3618       75.06259 349.4250       135.4300 261.2856       90.18176 115.7459 25.19079 101.3757 19.31199 14.37020       31.74160 
1 1 1 11  -3  18 o 64.41386 23.08308 91.21717       90.21331 122.4775       264.6985 87.10893       95.95831 91.16080 37.57665 64.49601 23.70562 26.66479       44.42928 
1 1 1 11  -3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -3  20 o 108.2081 25.84546 309.7980       131.8645 360.7598       187.2671 259.6792       185.7118 114.8756 32.59428 99.60448 33.24379 15.27113       46.55681 
1 1 1 11  -3  21 f 126.5718 18.45857 403.9757       108.4108 514.8376       196.9867 355.8090       129.8431 137.8282 30.68348 116.6316 24.08400 21.19660       39.00661 
1 1 1 11  -3  22 o 243.2586 14.47284 1451.054       167.5570 1739.164       267.1223 1264.155       215.1466 262.5720 21.46630 224.2745 20.28440 38.29742       29.53403 
1 1 1 11  -3  23 o 345.0806 13.02321 2905.716       214.4702 3368.794       384.6169 2696.751       258.3679 364.7223 22.16217 330.4529 16.40517 34.26941       27.57338 
1 1 1 11  -3  24 f 116.8437 20.96434 353.5974       112.8073 133.6195       219.6763 432.3802       131.4648 85.28700 34.58215 128.9774 22.11567 -43.69037      41.04910 
1 1 1 11  -3  25 o 147.4830 18.17147 551.3353       125.4208 521.1382       236.9699 563.0860       147.8227 133.1239 36.25933 147.4000 21.61888 -14.27608      42.21511 
1 1 1 11  -3  26 o 212.7807 18.24145 1145.188       183.7779 1556.681       301.1226 900.9391       231.9951 241.3420 26.53492 182.4311 27.44914 58.91092       38.17797 
1 1 1 11  -3  27 o 180.7839 24.17471 867.3298       203.7114 579.8245       420.0558 955.7411       232.9368 129.0554 49.14796 187.9602 26.66961 -58.90480      55.91770 
1 1 1 11  -3  28 o 178.2089 25.33586 863.1498       209.7857 1203.400       436.8578 761.1682       239.1672 182.0326 49.08462 161.5293 32.10135 20.50328       58.64978 
1 1 1 11  -3  29 o 103.0434 32.35357 325.9857       177.5003 419.7318       269.4182 254.0867       235.9456 110.9418 39.87441 93.18376 36.47032 17.75803       54.03751 
1 1 1 11  -3  30 o 112.6258 32.56541 401.6492       185.2380 922.9581       281.4155 3.094870       246.0618 169.1234 35.91523 71.68339 32.64192 97.44003       48.53245 
1 1 1 11  -3  31 o 138.5279 30.36091 593.2449       195.5135 606.8759       298.1610 582.9626       258.9603 123.7343 42.12423 126.1579 38.99616 -2.423607      57.40341 
1 1 1 11  -3  32 o 65.16230 30.12907 -9.706812      220.8253 -133.7732      491.6671 21.64452       247.1565 78.04094 38.31211 69.46398 32.03128 8.576958       49.93818 
1 1 1 11  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  8  o 268.6951 6.866424 1731.568       88.13385 1781.149       126.0664 1684.169       123.2611 272.0704 9.707473 264.5404 9.762733 7.529999       13.76757 
1 1 1 11  -2  9  o 314.8423 7.152975 2376.691       107.6684 2400.493       155.7627 2354.912       148.9948 315.7338 10.33283 312.7962 9.976013 2.937531       14.36274 
1 1 1 11  -2  10 o 176.0994 8.393858 746.1670       70.46537 839.5359       118.9395 695.6714       87.46844 185.9022 13.47381 169.6453 10.84126 16.25696       17.29383 
1 1 1 11  -2  11 o 251.1696 7.825775 1515.404       93.85828 1737.566       145.8210 1358.261       122.6398 268.2580 11.39592 237.2372 10.84151 31.02080       15.72913 
1 1 1 11  -2  12 o 447.2720 7.801663 4801.647       166.8273 4959.659       248.0778 4671.195       225.4072 453.3678 11.45452 440.3647 10.70649 13.00314       15.67912 
1 1 1 11  -2  13 o 256.0669 8.938973 1578.070       109.2654 1530.951       175.6362 1607.820       139.5601 250.7656 14.71466 257.9440 11.34464 -7.178391      18.58015 
1 1 1 11  -2  14 o 412.4660 9.926446 4095.872       195.7448 4154.512       437.8859 4081.228       218.8260 408.9114 22.48528 411.2030 11.14127 -2.291565      25.09413 
1 1 1 11  -2  15 o 99.96912 13.87962 246.7323       64.54939 196.1799       112.4495 271.5761       78.83083 87.45869 25.39799 104.3821 16.33149 -16.92342      30.19562 
1 1 1 11  -2  16 o 336.5228 13.98474 2752.256       224.5070 2719.496       324.5174 2782.328       310.9206 331.3685 20.58584 335.8112 19.44950 -4.442719      28.32066 
1 1 1 11  -2  17 o 140.9847 14.89278 488.6411       98.86674 583.1971       145.4164 407.3619       134.8214 152.4379 20.47009 126.0836 23.22157 26.35432       30.95587 
1 1 1 11  -2  18 o 186.4624 14.98253 851.8953       132.4393 1102.860       238.7949 740.4048       159.1614 208.4309 24.42661 172.2058 19.68550 36.22514       31.37161 
1 1 1 11  -2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -2  20 o 93.62101 23.14942 228.2781       103.0255 267.2022       203.8613 214.9270       119.3941 101.8685 34.82834 90.72198 26.11813 11.14648       43.53355 
1 1 1 11  -2  21 o 134.8896 28.38792 484.2023       177.2672 624.5646       335.3552 429.7757       208.8263 145.4948 44.26654 124.8177 34.05512 20.67709       55.85049 
1 1 1 11  -2  22 o 152.5788 26.16390 609.1644       183.9890 595.8156       352.1139 614.1779       215.7919 141.2256 45.70675 150.7681 30.97449 -9.542435      55.21346 
1 1 1 11  -2  23 o 167.6648 17.12776 699.3438       135.3671 913.3770       228.0900 582.9667       168.1897 187.3812 26.17392 149.9898 24.28424 37.39142       35.70432 
1 1 1 11  -2  24 o 136.7499 20.54446 476.7261       130.1684 269.5655       224.2882 581.9403       159.8417 102.0310 36.41572 150.2641 22.97881 -48.23312      43.05961 
1 1 1 11  -2  25 o 160.1768 18.83028 647.7045       141.4487 790.1223       244.4503 576.0169       173.4326 169.9921 31.22877 147.7895 25.46496 22.20265       40.29516 
1 1 1 11  -2  26 o 254.1956 15.85229 1604.643       191.6908 1735.911       306.6113 1520.413       245.6090 257.2881 25.25134 243.8018 21.28488 13.48622       33.02539 
1 1 1 11  -2  27 o 72.75278 27.54034 116.9575       131.4159 342.1251       243.3786 24.28838       156.1338 108.4657 38.00519 64.91489 27.90767 43.55085       47.15117 
1 1 1 11  -2  28 o 49.30819 23.37686 -144.6052      147.7288 -190.9174      440.2036 -138.7274      156.8234 85.82015 40.58815 51.57817 24.34295 34.24198       47.32840 
1 1 1 11  -2  29 o 136.3939 27.30321 518.8469       171.8229 878.9377       464.0671 461.6402       184.9686 148.2907 52.43629 125.9198 30.94855 22.37091       60.88824 
1 1 1 11  -2  30 o 69.35490 31.71721 -33.56088      235.5488 -0.5117045E-02 487.6023 -43.77515      269.0207 90.90404 42.90956 72.56170 33.44473 18.34234       54.40386 
1 1 1 11  -2  31 o 119.1186 35.01855 466.1628       212.6305 335.2863       317.9326 572.0731       286.0049 99.67854 41.14435 124.6148 41.24519 -24.93629      58.25824 
1 1 1 11  -2  32 o 71.11751 31.51141 61.30685       212.4899 -139.9308      321.9380 216.6486       282.8536 70.34835 33.67275 87.35498 37.55888 -17.00663      50.44328 
1 1 1 11  -2  33 o 82.78484 29.74100 218.6587       149.8631 284.5105       334.4446 202.1144       167.6348 89.05567 39.49249 80.33827 30.93410 8.717400       50.16548 
1 1 1 11  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  8  o 291.9769 6.957630 2042.644       97.12214 2115.712       138.2832 1971.512       136.4383 296.6589 9.763277 286.3225 9.982450 10.33640       13.96320 
1 1 1 11  -1  9  o 140.6228 8.499388 476.1282       56.87476 410.6599       88.12522 522.8636       74.45734 129.6131 14.46785 147.0980 10.65980 -17.48486      17.97081 
1 1 1 11  -1  10 o 254.7847 7.812488 1558.164       95.05121 1571.815       135.8508 1545.071       133.0387 255.3573 11.15462 253.1974 11.01669 2.159897       15.67779 
1 1 1 11  -1  11 o 436.4261 7.647260 4567.690       159.5603 4763.290       230.6887 4388.285       220.9322 444.9511 10.84440 426.9457 10.83251 18.00543       15.32789 
1 1 1 11  -1  12 o 185.1777 9.868058 826.6522       87.04778 851.4051       133.8790 808.5239       114.5719 186.8989 15.11172 182.5195 13.21946 4.379349       20.07780 
1 1 1 11  -1  13 f 294.4119 12.69962 2096.404       178.3331 2029.122       251.4323 2164.514       252.9770 287.8166 18.36831 297.4884 17.86937 -9.671753      25.62634 
1 1 1 11  -1  14 o 268.8448 12.11409 1747.807       155.3043 1848.262       223.0935 1653.351       216.3296 274.9538 17.05541 259.8369 17.51670 15.11691       24.44835 
1 1 1 11  -1  15 o 152.2940 14.94729 568.1335       107.4309 696.1556       170.9898 484.6378       138.0893 166.5916 22.00657 138.7065 21.52049 27.88504       30.78020 
1 1 1 11  -1  16 o 214.0536 12.40310 1111.040       126.3854 1272.424       198.9911 1001.922       163.6260 227.2328 18.47629 201.9241 17.11039 25.30875       25.18211 
1 1 1 11  -1  17 o 381.4318 9.871708 3505.526       179.8674 3723.327       274.2099 3341.041       238.2961 391.2542 14.68545 371.1135 13.45306 20.14066       19.91600 
1 1 1 11  -1  18 f 337.9375 11.04441 2758.565       178.1983 2761.882       277.9122 2756.250       232.2192 335.5879 17.38103 336.5506 14.46621 -0.9627686     22.61352 
1 1 1 11  -1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  -1  20 o 100.3548 28.34511 265.0039       141.9508 167.1800       342.2646 285.3261       156.0001 102.9887 42.61727 103.8669 29.83993 -0.8782120     52.02550 
1 1 1 11  -1  21 o 69.47764 26.59294 91.73846       123.3800 549.7552       212.0248 -142.7647      151.7122 142.7797 31.86913 51.40592 24.16285 91.37381       39.99355 
1 1 1 11  -1  22 o 173.8873 17.99144 752.7866       147.4112 1155.904       243.8110 520.5168       185.0691 212.6307 24.42699 139.9553 28.62524 72.67537       37.63087 
1 1 1 11  -1  23 o 91.26686 29.69104 215.4417       148.4751 497.2702       375.9737 163.3690       161.6107 131.2250 47.11163 84.18143 30.79308 47.04353       56.28249 
1 1 1 11  -1  24 f 54.72464 24.93335 -71.35621      143.8188 113.4715       391.2310 -100.2353      154.6470 101.5135 43.91208 54.79189 25.29125 46.72160       50.67463 
1 1 1 11  -1  25 o 64.73972 26.77468 46.09986       134.9917 149.1959       237.4287 -3.145576      164.0949 89.68186 36.09918 64.74027 28.21780 24.94159       45.81916 
1 1 1 11  -1  26 o 130.5549 31.73499 472.8694       196.1224 344.6592       263.9082 631.0127       293.1009 111.5420 39.53329 145.6420 40.58603 -34.09997      56.65780 
1 1 1 11  -1  27 o 285.6074 17.82917 2043.571       242.2353 2120.757       359.7405 1979.542       327.6489 282.9387 26.91823 274.9351 25.20726 8.003540       36.87814 
1 1 1 11  -1  28 o 191.5242 24.41356 967.5340       218.4697 1324.591       307.8678 605.3518       310.0694 219.4437 30.14033 137.8182 42.68320 81.62555       52.25222 
1 1 1 11  -1  29 o 92.05428 30.74837 233.6927       158.8724 -24.33871      289.3875 345.0142       190.0785 78.87575 35.71200 108.8071 33.36983 -29.93137      48.87630 
1 1 1 11  -1  30 o 158.1713 24.31106 674.8347       177.9648 654.7385       314.3165 684.3168       215.9057 138.8931 42.96751 154.6761 30.28094 -15.78299      52.56560 
1 1 1 11  -1  31 o 91.53549 35.62571 241.7301       224.1278 732.9437       306.4720 -323.0273      328.6143 144.3397 41.93290 66.76450 32.45751 77.57524       53.02696 
1 1 1 11  -1  32 o 109.3469 40.70242 436.7369       284.4808 705.2484       544.8396 336.0961       333.5603 118.3925 51.51257 99.49342 41.69115 18.89910       66.26988 
1 1 1 11  -1  33 o 207.2175 24.02113 1210.422       233.5699 939.8275       572.9716 1264.349       255.7877 122.7793 53.12632 208.9702 26.17541 -86.19086      59.22464 
1 1 1 11  -1  34 o 111.7906 27.60975 391.1021       146.6788 333.3971       205.9125 450.5460       208.9919 95.35156 34.77721 110.7290 35.15097 -15.37740      49.44739 
1 1 1 11  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0   7  o 372.0092 10.12521 3324.305       179.9129 0.000000       0.000000 3324.305       179.9129 ?        ?        372.0092 10.12521 0.000000       10.12521 
1 1 1 11  0   8  o 219.7131 7.338863 1157.843       76.98095 1225.934       108.0596 1087.676       109.6938 225.7655 10.03655 212.5163 10.83219 13.24921       14.76715 
1 1 1 11  0   9  f 370.5204 7.403301 3289.550       131.1432 3371.497       184.8981 3206.591       186.0363 374.5443 10.33561 365.1984 10.66660 9.345886       14.85265 
1 1 1 11  0   10 o 312.2083 7.866268 2338.088       117.3209 2496.602       169.7727 2193.199       162.3123 322.0954 11.04123 301.8233 11.26818 20.27209       15.77595 
1 1 1 11  0   11 o 272.4811 8.252508 1782.214       107.3816 1958.306       152.0110 1606.817       151.7105 285.1544 11.17192 258.0383 12.33338 27.11618       16.64104 
1 1 1 11  0   12 o 192.3462 10.64559 892.1308       97.51340 920.1576       138.2417 864.3755       137.5703 194.5406 14.97873 188.4240 15.40581 6.116562       21.48724 
1 1 1 11  0   13 o 200.2216 10.76746 967.0112       102.6909 1094.314       151.0975 857.7347       139.9914 212.1691 14.99244 187.5406 15.75904 24.62852       21.75134 
1 1 1 11  0   14 o 103.3276 16.04466 264.8369       76.69044 322.2426       97.84334 173.3858       123.4946 113.5714 18.66801 84.10381 27.05519 29.46758       32.87062 
1 1 1 11  0   15 o 270.2492 10.36140 1760.003       133.6245 1777.066       194.2800 1744.686       184.0795 270.3482 15.09118 268.0639 14.41648 2.284332       20.87052 
1 1 1 11  0   16 o 332.6438 11.40855 2670.991       181.1652 2916.556       321.2377 2556.464       219.3809 344.4198 19.58956 324.5690 14.17201 19.85077       24.17843 
1 1 1 11  0   17 o 122.8223 22.45367 383.8541       126.9907 515.8672       194.8568 286.3870       167.4311 140.1880 29.98100 104.8156 31.14213 35.37234       43.22837 
1 1 1 11  0   18 o 114.5017 26.09834 340.9967       139.6783 303.5078       220.3546 366.1776       180.5956 108.7356 36.21007 117.4645 31.50948 -8.728951      48.00017 
1 1 1 11  0   19 o 231.3190 20.48572 1329.290       224.2137 0.000000       0.000000 1329.290       224.2137 ?        ?        231.3190 20.48572 0.000000       20.48572 
1 1 1 11  0   20 o 282.9356 14.85655 1952.592       200.2579 1968.744       291.8278 1938.216       275.3084 280.8644 21.90625 279.2591 20.76942 1.605255       30.18696 
1 1 1 11  0   21 o 165.9895 20.59555 691.4751       159.9373 406.1708       315.3241 790.2988       185.5810 123.2111 43.25271 176.8550 22.45412 -53.64391      48.73381 
1 1 1 11  0   22 o 171.3047 21.36424 740.0818       171.1781 911.3917       220.1784 478.3194       272.1680 188.6382 25.03106 130.6432 39.90473 57.99500       47.10564 
1 1 1 11  0   23 o 57.07758 24.60070 1.065056       121.9148 184.8798       193.4015 -120.1403      157.0473 90.18917 33.56229 54.03135 25.12889 36.15783       41.92718 
1 1 1 11  0   24 o 210.4104 18.78650 1104.486       186.9966 1187.821       373.2347 1076.557       216.0716 204.8627 39.53974 205.9878 22.29554 -1.125046      45.39254 
1 1 1 11  0   25 o 112.8426 36.86075 350.3460       228.7209 1346.536       382.3008 -204.9991      285.4406 219.3725 37.81670 71.20625 33.36584 148.1662       50.43195 
1 1 1 11  0   26 o 56.29369 26.54088 -170.8573      185.5396 138.2159       242.7427 -605.1529      287.7453 89.12492 36.27327 56.31943 27.95137 32.80548       45.79333 
1 1 1 11  0   27 o 71.67525 28.63725 87.12083       148.2617 -249.8332      258.1385 252.9911       181.1139 64.35712 30.62336 97.41866 32.83342 -33.06153      44.89793 
1 1 1 11  0   28 o 196.6121 24.66130 1014.825       226.7251 909.7979       309.0946 1137.150       333.5787 175.8792 37.87974 198.5307 36.48913 -22.65149      52.59593 
1 1 1 11  0   29 o 85.02966 34.20131 150.0938       212.9509 64.86127       281.8464 263.4763       325.0743 84.44781 36.89116 102.9756 41.95169 -18.52775      55.86503 
1 1 1 11  0   30 o 101.3302 31.75744 293.8112       171.0978 619.3044       299.9614 136.8382       208.3085 138.5152 41.80742 82.64133 33.61419 55.87387       53.64489 
1 1 1 11  0   31 o 81.79626 34.32990 124.9825       226.7206 247.5588       302.3908 -32.38551      342.6285 97.18764 40.12212 81.92426 37.75423 15.26337       55.09235 
1 1 1 11  0   32 o 87.86650 32.06763 224.4781       175.1169 174.2086       317.4356 246.4691       209.9550 89.36054 39.09163 91.27518 34.75001 -1.914635      52.30410 
1 1 1 11  0   33 o 108.7900 32.72210 380.0907       183.9863 383.5042       333.5010 378.5973       220.5925 102.4709 42.20244 105.5574 36.22522 -3.086456      55.61756 
1 1 1 11  0   34 o 53.91985 25.21963 -77.29415      161.8318 -39.86216      180.9640 -226.7700      361.6232 59.34424 27.38047 69.54875 33.86474 -10.20451      43.54895 
1 1 1 11  0   35 o 64.31459 28.54118 54.83025       174.9876 -391.3492      635.4791 91.43753       182.0247 76.44588 38.46280 68.13048 29.70707 8.315407       48.59935 
1 1 1 11  1   0  o 359.5716 7.163697 3096.136       123.1490 0.000000       0.000000 3096.136       123.1490 ?        ?        359.5716 7.163697 0.000000       7.163697 
1 1 1 11  1   1  o 357.5497 7.074343 3061.155       120.9291 0.000000       0.000000 3061.155       120.9291 ?        ?        357.5497 7.074343 0.000000       7.074343 
1 1 1 11  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  1   4  o 116.4986 11.55542 329.0162       63.51256 0.000000       0.000000 329.0162       63.51256 ?        ?        116.4986 11.55542 0.000000       11.55542 
1 1 1 11  1   5  o 381.8471 10.33126 3500.386       188.4308 0.000000       0.000000 3500.386       188.4308 ?        ?        381.8471 10.33126 0.000000       10.33126 
1 1 1 11  1   6  o 234.2521 7.025633 1315.108       78.59345 0.000000       0.000000 1315.108       78.59345 ?        ?        234.2521 7.025633 0.000000       7.025633 
1 1 1 11  1   7  o 175.0095 7.709081 735.0839       64.34366 735.2206       84.06924 734.8907       99.97516 174.7762 10.10420 174.4847 12.05885 0.2914886      15.73248 
1 1 1 11  1   8  o 485.3276 7.543496 5642.105       175.0314 5576.282       242.7328 5713.403       252.6273 482.0185 10.53310 487.8530 10.83136 -5.834473      15.10843 
1 1 1 11  1   9  o 366.5127 7.609989 3218.163       133.3464 3198.457       181.4853 3241.283       196.5783 364.8939 10.41384 367.1884 11.21108 -2.294464      15.30151 
1 1 1 11  1   10 o 125.6725 11.33926 382.5063       67.39716 403.1918       84.49271 346.3207       111.7519 128.6360 13.96245 117.7407 20.60276 10.89532       24.88823 
1 1 1 11  1   11 o 245.4089 9.109342 1446.669       106.6918 1335.364       143.6151 1583.760       159.3841 235.1958 12.82057 256.1519 13.05793 -20.95613      18.29964 
1 1 1 11  1   12 o 190.8613 10.60420 877.8339       96.38149 980.2043       131.4783 758.9216       141.7034 201.1891 13.75182 176.2511 17.02848 24.93800       21.88794 
1 1 1 11  1   13 o 469.9779 8.446138 5298.012       189.7772 5281.523       262.8661 5315.961       274.2678 468.3577 11.74875 469.7446 12.22289 -1.386963      16.95382 
1 1 1 11  1   14 o 330.2768 13.69914 2636.957       215.8420 2793.938       303.6344 2476.597       306.8849 338.3225 18.84654 317.9396 20.29532 20.38287       27.69642 
1 1 1 11  1   15 o 124.3071 16.43186 381.0604       95.26488 399.5567       116.1602 343.0638       166.4897 126.4937 19.86157 114.8713 29.99616 11.62240       35.97571 
1 1 1 11  1   16 o 46.00040 21.54750 -113.7892      118.8715 -88.46897      170.8997 -137.5209      165.4520 60.06546 27.29368 55.34349 25.75718 4.721970       37.52835 
1 1 1 11  1   17 o 72.11288 21.44803 129.9954       79.38440 91.02721       112.4109 168.7640       112.1227 68.28223 25.55203 82.29933 25.69554 -14.01710      36.23765 
1 1 1 11  1   18 o 209.4322 13.21138 1065.250       131.6077 1283.995       187.4578 852.6348       184.8131 228.7955 17.26490 184.8694 21.29910 43.92613       27.41767 
1 1 1 11  1   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  1   20 o 227.3685 15.14477 1262.597       163.6886 1100.269       214.9164 1486.850       252.6050 209.8003 21.74145 244.1212 21.87516 -34.32088      30.84175 
1 1 1 11  1   21 o 287.4343 15.98360 2021.172       218.7802 1753.303       308.1978 2293.269       310.6202 263.4442 24.76019 303.4592 21.55043 -40.01495      32.82512 
1 1 1 11  1   22 o 228.7528 16.48581 1285.883       179.0862 1422.210       248.5377 1138.664       258.2752 238.1392 22.08146 210.8742 26.18035 27.26495       34.24911 
1 1 1 11  1   23 o 94.55877 31.68793 226.9484       168.7119 289.9329       194.3152 34.06674       340.0442 104.8871 33.95475 92.89052 40.55149 11.99657       52.88996 
1 1 1 11  1   24 f 268.6656 16.35237 1776.638       209.0449 1911.246       294.7274 1640.361       296.5491 275.1689 22.60241 253.4483 24.79031 21.72055       33.54740 
1 1 1 11  1   25 o 213.0782 24.82630 1167.180       248.1742 919.9564       366.1465 1377.280       337.5390 176.4450 43.64809 226.7169 32.03230 -50.27182      54.14078 
1 1 1 11  1   26 f 106.3196 27.84895 303.1799       143.2166 126.8716       222.8811 427.1730       186.9113 86.08984 34.86048 124.9470 31.34623 -38.85720      46.88111 
1 1 1 11  1   27 o 274.1748 17.67130 1867.044       230.4016 1959.196       319.9413 1767.771       332.0712 276.2379 24.47898 260.3368 27.07514 15.90115       36.50046 
1 1 1 11  1   28 f 181.5735 19.87776 835.8024       169.7387 1014.898       267.4933 715.0774       219.6187 193.9224 29.80449 162.5405 29.34120 31.38190       41.82360 
1 1 1 11  1   29 o 104.7529 34.14061 310.5791       196.2645 521.6807       250.0715 -28.01153      316.7057 132.0741 37.72874 82.76516 37.42735 49.30891       53.14381 
1 1 1 11  1   30 o 74.64097 29.54185 111.3696       156.3422 -26.40975      259.9180 189.4808       195.7046 75.51833 34.05079 87.84913 33.52482 -12.33080      47.78462 
1 1 1 11  1   31 o 90.79488 34.61130 213.7302       208.4500 144.1039       268.3494 319.6604       330.9967 88.15680 37.19414 106.1258 42.65613 -17.96899      56.59460 
1 1 1 11  1   32 o 67.67294 28.76673 56.85254       162.5431 278.3460       272.7393 -65.14761      202.4173 97.83546 38.92306 63.39726 29.14431 34.43821       48.62505 
1 1 1 11  1   33 o 114.9907 30.87933 405.7991       173.3295 526.8529       289.3667 338.0614       216.4584 119.7145 41.47231 101.6629 35.82411 18.05154       54.80255 
1 1 1 11  1   34 o 115.1874 32.50740 427.8365       186.7810 541.5747       297.9490 354.2001       239.7368 117.6609 41.97419 100.7990 37.39430 16.86193       56.21535 
1 1 1 11  1   35 o 68.81057 29.64501 91.13492       176.8913 194.9993       473.0176 74.24801       190.7300 87.70188 41.65200 68.52111 30.12844 19.18077       51.40635 
1 1 1 11  1   36 o 127.1721 32.66738 566.0526       199.6539 994.6363       491.7161 481.4458       218.4737 117.6423 50.02183 111.0113 36.00893 6.631081       61.63462 
1 1 1 11  2   0  o 231.5281 7.364877 1284.862       81.41882 0.000000       0.000000 1284.862       81.41882 ?        ?        231.5281 7.364877 0.000000       7.364877 
1 1 1 11  2   1  o 388.8593 7.198620 3620.363       133.8290 0.000000       0.000000 3620.363       133.8290 ?        ?        388.8593 7.198620 0.000000       7.198620 
1 1 1 11  2   2  o 240.6562 7.077012 1387.725       81.33608 0.000000       0.000000 1387.725       81.33608 ?        ?        240.6562 7.077012 0.000000       7.077012 
1 1 1 11  2   3  o 267.7656 7.211111 1717.828       92.22948 0.000000       0.000000 1717.828       92.22948 ?        ?        267.7656 7.211111 0.000000       7.211111 
1 1 1 11  2   4  o 135.3797 7.579710 440.2366       48.86261 0.000000       0.000000 440.2366       48.86261 ?        ?        135.3797 7.579710 0.000000       7.579710 
1 1 1 11  2   5  o 153.8726 7.817184 568.4813       57.31847 0.000000       0.000000 568.4813       57.31847 ?        ?        153.8726 7.817184 0.000000       7.817184 
1 1 1 11  2   6  o 70.96194 9.619753 122.9021       31.79640 0.000000       0.000000 122.9021       31.79640 ?        ?        70.96194 9.619753 0.000000       9.619753 
1 1 1 11  2   7  f 441.0090 6.851856 4655.973       144.4655 4669.048       216.3753 4645.456       194.0527 441.2265 10.25741 440.2491 9.219615 0.9773865      13.79187 
1 1 1 11  2   8  o 202.6586 8.727221 985.9813       84.35876 953.4210       103.1808 1051.624       146.5039 199.0387 10.88452 208.4993 14.79332 -9.460617      18.36614 
1 1 1 11  2   9  f 137.3213 10.85040 455.3323       70.65627 478.7491       85.73371 405.7539       124.7481 140.5469 12.90302 127.7096 21.17275 12.83723       24.79462 
1 1 1 11  2   10 o 397.5261 8.000787 3786.067       152.0571 3672.722       202.6187 3932.205       230.0700 391.0131 10.84926 404.3994 11.91283 -13.38635      16.11278 
1 1 1 11  2   11 o 514.4172 8.185704 6341.615       201.3167 6327.522       272.3513 6358.590       298.9079 513.3061 11.09800 514.3285 12.15594 -1.022400      16.46002 
1 1 1 11  2   12 o 207.0971 11.66994 1034.067       115.0775 965.6652       151.0341 1128.735       177.6825 199.3495 15.98091 215.3142 17.40926 -15.96463      23.63201 
1 1 1 11  2   13 o 219.9446 11.91434 1166.802       124.8151 1248.630       170.1899 1071.568       183.6027 226.8017 15.79433 209.4005 18.53082 17.40120       24.34855 
1 1 1 11  2   14 o 419.1934 10.93460 4226.632       218.9549 4206.604       249.5557 4293.605       456.3481 417.8013 12.50773 418.1770 22.91346 -0.3756714     26.10498 
1 1 1 11  2   15 o 117.3411 18.36713 342.2564       99.66141 491.4914       158.6778 245.0351       128.0742 139.3849 24.71673 97.89672 26.65331 41.48821       36.34991 
1 1 1 11  2   16 o 192.0056 14.16632 895.5152       129.1250 855.3443       191.7420 928.8513       174.6703 185.5371 22.04671 194.3466 19.04313 -8.809479      29.13242 
1 1 1 11  2   17 o 128.1641 16.55155 405.2669       99.05194 560.2824       136.0543 230.4404       144.4868 150.2789 19.38809 95.31996 29.06713 54.95892       34.93989 
1 1 1 11  2   18 o 114.2364 24.45960 335.2777       129.5577 364.8335       160.2525 279.5090       220.1300 118.2199 28.65538 106.1679 36.19384 12.05202       46.16410 
1 1 1 11  2   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  2   20 o 53.63259 23.98145 -44.39894      125.9741 -36.97285      134.1295 -99.95494      366.8678 56.24388 24.97219 89.39092 40.36637 -33.14705      47.46635 
1 1 1 11  2   21 o 58.75983 24.82537 16.04526       119.8155 -62.45166      142.0688 209.4087       222.9768 55.63323 25.12128 96.86848 36.03929 -41.23525      43.93073 
1 1 1 11  2   22 o 268.5055 15.72596 1763.550       200.9895 2071.920       266.4357 1356.336       306.1735 289.4526 19.36476 229.3515 28.53829 60.10107       34.48808 
1 1 1 11  2   23 o 217.6302 18.42109 1172.759       189.8664 1189.713       218.3230 1120.142       384.6147 217.9995 21.21572 199.4725 41.67604 18.52704       46.76537 
1 1 1 11  2   24 o 168.5295 19.14746 709.9826       151.5433 734.9783       193.9383 670.7903       242.8458 169.1575 24.70995 157.2373 33.34035 11.92014       41.49892 
1 1 1 11  2   25 o 303.4152 15.89325 2262.038       229.7426 2280.179       309.1379 2239.659       343.3601 301.2120 21.61063 296.5199 24.43749 4.692139       32.62223 
1 1 1 11  2   26 o 173.7583 31.44978 814.3780       251.6435 771.2723       333.0354 871.7378       384.1730 161.7596 42.51441 169.3989 46.17905 -7.639328      62.76926 
1 1 1 11  2   27 o 190.9205 20.11256 918.2180       180.8265 1003.694       253.4273 829.5670       258.0910 195.3319 27.93191 174.8276 32.05946 20.50424       42.52059 
1 1 1 11  2   28 o 181.6801 21.33324 840.2072       181.7724 983.0713       256.4438 695.9501       257.6908 192.2216 28.78989 157.2932 35.15303 34.92833       45.43779 
1 1 1 11  2   29 o 212.1730 19.92274 1142.115       199.7268 1405.667       284.7764 886.9805       280.1921 230.8846 26.26523 177.1322 34.32618 53.75244       43.22209 
1 1 1 11  2   30 o 75.51814 32.32343 55.75122       207.7429 -136.0329      414.6448 120.0259       240.0434 86.74759 40.50664 84.91678 35.45973 1.830811       53.83475 
1 1 1 11  2   31 o 102.9093 40.20329 291.3070       286.2875 560.1586       431.0766 79.15766       382.9296 127.3129 49.44752 93.31910 41.76305 33.99381       64.72410 
1 1 1 11  2   32 o 68.99725 30.18085 24.20518       189.1765 123.7902       445.0987 2.249721       208.9925 97.72334 44.26317 69.92735 31.10241 27.79600       54.09795 
1 1 1 11  2   33 f 89.00257 37.94104 185.1092       284.1528 277.6481       463.1153 129.2378       359.8503 101.4442 45.62125 89.55963 40.25071 11.88460       60.83928 
1 1 1 11  2   34 o 94.82292 34.36745 287.9444       200.6528 386.9724       483.3665 267.3271       220.5536 102.7942 46.38443 92.20737 35.48807 10.58683       58.40307 
1 1 1 11  2   35 o 65.76246 32.05904 -263.9828      326.7745 339.8387       768.1213 -397.4124      361.0785 98.36980 48.20881 64.87991 32.03916 33.48990       57.88434 
1 1 1 11  2   36 o 61.96012 28.88787 -32.08247      209.5886 72.83710       806.3215 -39.68497      217.0492 87.13757 43.77264 62.31294 29.16527 24.82463       52.59903 
1 1 1 11  3   0  o 152.9062 8.531540 561.8128       62.12057 0.000000       0.000000 561.8128       62.12057 ?        ?        152.9062 8.531540 0.000000       8.531540 
1 1 1 11  3   1  o 398.1436 7.273034 3795.060       138.4407 0.000000       0.000000 3795.060       138.4407 ?        ?        398.1436 7.273034 0.000000       7.273034 
1 1 1 11  3   2  o 130.6979 8.813052 411.0840       54.74653 0.000000       0.000000 411.0840       54.74653 ?        ?        130.6979 8.813052 0.000000       8.813052 
1 1 1 11  3   3  o 303.2741 7.261189 2201.902       105.2814 0.000000       0.000000 2201.902       105.2814 ?        ?        303.2741 7.261189 0.000000       7.261189 
1 1 1 11  3   4  o 244.9706 7.476508 1438.125       87.46060 0.000000       0.000000 1438.125       87.46060 ?        ?        244.9706 7.476508 0.000000       7.476508 
1 1 1 11  3   5  o 603.7157 7.864125 8727.879       226.9819 0.000000       0.000000 8727.879       226.9819 ?        ?        603.7157 7.864125 0.000000       7.864125 
1 1 1 11  3   6  o 241.6279 7.753583 1399.485       89.45307 0.000000       0.000000 1399.485       89.45307 ?        ?        241.6279 7.753583 0.000000       7.753583 
1 1 1 11  3   7  f 306.8268 8.698024 2257.210       127.4629 0.000000       0.000000 2257.210       127.4629 ?        ?        306.8268 8.698024 0.000000       8.698024 
1 1 1 11  3   8  o 420.9725 7.968424 4244.341       160.3742 4455.998       214.0102 3973.242       242.2044 431.0559 10.38466 406.5587 12.47569 24.49722       16.23219 
1 1 1 11  3   9  o 416.5610 9.633920 4159.854       191.8625 4162.409       213.1406 4148.938       440.5144 416.4118 10.71509 412.8449 22.40242 3.566864       24.83308 
1 1 1 11  3   10 o 224.2654 9.878943 1208.358       105.6609 1227.444       130.1851 1171.519       180.8688 225.7500 12.10644 219.6516 17.36465 6.098389       21.16830 
1 1 1 11  3   11 o 355.4013 14.20929 3044.846       240.9481 3102.100       335.7414 2984.041       345.9939 357.3577 19.72794 350.1713 20.76027 7.186371       28.63879 
1 1 1 11  3   12 o 150.8919 12.63299 551.1854       90.29828 566.1838       122.2296 533.1647       133.9798 152.1676 17.09683 147.0966 19.53387 5.071091       25.95908 
1 1 1 11  3   13 o 107.6290 18.53394 288.2975       91.92787 312.5648       138.8013 269.3353       122.6948 110.6760 26.56925 102.8766 25.15849 7.799408       36.59063 
1 1 1 11  3   14 o 116.3853 17.20168 334.6455       92.83448 279.8947       104.2450 544.4725       204.0754 105.3619 21.42549 145.6248 30.29977 -40.26295      37.10967 
1 1 1 11  3   15 o 49.10924 20.00323 23.50497       73.89069 -48.89985      91.25333 161.3745       125.9213 44.32652 20.06318 82.48659 27.36990 -38.16007      33.93586 
1 1 1 11  3   16 o 253.8156 13.72530 1558.879       165.9320 1481.994       215.7233 1670.278       259.6657 246.2478 18.45815 260.6852 21.01272 -14.43739      27.96851 
1 1 1 11  3   17 o 290.9897 11.57637 2042.079       160.7277 2116.355       196.8073 1893.331       278.5103 295.6565 13.96286 277.3106 21.16707 18.34589       25.35757 
1 1 1 11  3   18 o 292.3075 15.28182 2076.464       212.8200 2023.838       292.5806 2135.593       310.1314 286.2771 21.53506 293.8046 22.24424 -7.527496      30.96070 
1 1 1 11  3   19 o 270.6246 16.41547 1787.778       211.3886 1518.137       299.8939 2054.046       298.0122 245.4716 25.94615 287.9320 21.81113 -42.46042      33.89584 
1 1 1 11  3   20 f 374.5993 15.01072 3412.964       268.2851 3628.935       338.7269 3049.417       439.4731 384.6055 18.47557 347.6863 26.64141 36.91913       32.42085 
1 1 1 11  3   21 f 232.8287 20.04993 1343.459       221.0095 1159.782       314.2425 1523.242       310.8938 210.4179 32.26495 244.6325 27.03249 -34.21465      42.09254 
1 1 1 11  3   22 o 356.0050 16.99284 3104.185       288.3864 3258.062       387.8753 2913.974       431.2433 361.4796 22.55640 338.8998 26.83488 22.57974       35.05569 
1 1 1 11  3   23 o 163.3839 20.88651 670.6576       159.4227 579.7147       184.2935 941.0414       317.7721 149.4412 26.77832 185.6235 37.10563 -36.18225      45.75922 
1 1 1 11  3   24 o 237.9474 21.62892 1419.149       243.3645 1196.639       288.5844 1967.005       452.8253 214.5255 28.86965 270.3751 35.91900 -55.84955      46.08287 
1 1 1 11  3   25 o 127.6195 25.11369 424.8578       147.7681 461.0612       178.9657 347.3056       261.9342 131.3751 29.24588 113.9969 39.45929 17.37811       49.11575 
1 1 1 11  3   26 o 101.7748 33.59253 274.0717       189.7605 486.3895       280.5100 94.92615       257.6666 130.2500 40.63933 87.31516 36.61890 42.93483       54.70374 
1 1 1 11  3   27 o 216.6640 17.56768 1166.437       180.4143 1075.542       230.8891 1308.946       289.1055 204.6615 24.05591 223.6754 27.62142 -19.01390      36.62826 
1 1 1 11  3   28 o 56.13665 25.90848 -101.8499      162.2084 -149.6548      176.2708 162.4085       414.4370 55.74608 26.15299 105.7668 45.46909 -50.02076      52.45395 
1 1 1 11  3   29 o 150.3783 23.59415 588.6028       164.0510 23.45932       204.6780 1603.905       274.3401 73.31345 31.73753 249.9369 23.22459 -176.6234      39.32750 
1 1 1 11  3   30 o 56.39635 26.79966 -191.8655      196.3853 -24.52513      323.6787 -289.3546      247.0540 83.72611 37.85191 60.19355 28.98939 23.53257       47.67758 
1 1 1 11  3   31 o 156.8226 28.23271 675.6801       203.8918 695.4109       230.5244 604.7836       436.9747 156.4174 31.90858 131.6639 50.13117 24.75351       59.42467 
1 1 1 11  3   32 o 105.7859 31.36045 323.5099       169.9383 476.4330       219.8202 96.35754       267.9105 125.7336 35.18846 84.33400 36.40897 41.39960       50.63438 
1 1 1 11  3   33 o 169.3479 23.72656 774.9576       186.8347 780.2815       249.3008 768.1363       282.1941 161.2732 33.43225 154.6876 38.34985 6.585556       50.87658 
1 1 1 11  3   34 o 81.08863 33.12034 163.1783       203.2502 32.42092       227.8519 672.4892       449.6877 71.94730 32.20559 121.9017 49.46021 -49.95435      59.02129 
1 1 1 11  3   35 o 119.7736 29.13714 438.0290       165.2282 851.4305       247.4510 105.4184       221.9582 164.4088 32.63326 75.70461 32.90953 88.70418       46.34616 
1 1 1 11  3   36 o 60.00400 26.97542 12.16035       161.7580 -0.1175774E-06 235.2482 23.06598       222.7812 67.23473 31.09086 67.52078 30.86602 -0.2860565     43.81042 
1 1 1 11  3   37 o 74.45475 30.26186 170.1010       168.6836 289.4285       248.5814 68.25601       229.6510 86.27195 36.05957 68.89713 31.43531 17.37482       47.83797 
1 1 1 11  4   0  o 721.5388 8.017894 12467.55       276.5848 12492.20       388.8306 12442.30       393.5114 721.6173 11.27055 720.1382 11.42965 1.479065       16.05186 
1 1 1 11  4   1  o 109.0891 9.783800 287.4986       50.48535 0.000000       0.000000 287.4986       50.48535 ?        ?        109.0891 9.783800 0.000000       9.783800 
1 1 1 11  4   2  o 286.3035 7.301242 1963.571       99.85671 0.000000       0.000000 1963.571       99.85671 ?        ?        286.3035 7.301242 0.000000       7.301242 
1 1 1 11  4   3  o 296.1594 7.417053 2101.123       104.9357 0.000000       0.000000 2101.123       104.9357 ?        ?        296.1594 7.417053 0.000000       7.417053 
1 1 1 11  4   4  o 341.6153 8.807515 2797.418       143.7265 0.000000       0.000000 2797.418       143.7265 ?        ?        341.6153 8.807515 0.000000       8.807515 
1 1 1 11  4   5  f 339.9887 8.785510 2770.849       142.6842 0.000000       0.000000 2770.849       142.6842 ?        ?        339.9887 8.785510 0.000000       8.785510 
1 1 1 11  4   6  o 419.6435 7.408670 4215.979       148.6377 0.000000       0.000000 4215.979       148.6377 ?        ?        419.6435 7.408670 0.000000       7.408670 
1 1 1 11  4   7  o 273.0305 8.503840 1787.310       110.8677 0.000000       0.000000 1787.310       110.8677 ?        ?        273.0305 8.503840 0.000000       8.503840 
1 1 1 11  4   8  o 420.1094 15.65116 4254.290       313.8032 4234.270       440.9060 4274.842       446.7206 417.3794 22.17523 419.3206 22.36429 -1.941162      31.49448 
1 1 1 11  4   9  o 380.4416 8.408002 3467.014       152.9288 3596.078       199.8417 3284.625       237.5653 387.0470 10.81035 369.4584 13.47215 17.58856       17.27317 
1 1 1 11  4   10 o 331.7396 9.007784 2639.136       142.7321 2671.450       181.9183 2587.389       230.2096 333.4427 11.42849 327.5911 14.73657 5.851654       18.64878 
1 1 1 11  4   11 o 310.5821 10.15522 2315.866       150.5878 2287.104       177.0261 2391.168       286.4368 308.3760 12.03047 313.8783 19.17951 -5.502319      22.64036 
1 1 1 11  4   12 o 354.3234 9.525695 3012.473       161.2169 2912.548       201.8487 3188.525       267.9237 347.9785 12.15157 363.4311 15.45515 -15.45264      19.66017 
1 1 1 11  4   13 o 89.18431 21.66506 200.9814       91.44910 193.1658       127.1869 209.3464       131.5821 88.60361 27.31898 91.80468 27.68555 -3.201065      38.89494 
1 1 1 11  4   14 o 316.3305 13.92556 2415.042       210.0857 2502.353       289.6531 2318.129       305.1656 320.7141 18.97568 308.0836 20.84117 12.63046       28.18565 
1 1 1 11  4   15 o 92.18562 23.14985 215.8185       101.8720 287.7473       113.9151 -71.42449      227.6433 106.5380 23.03683 72.62872 32.37244 33.90932       39.73248 
1 1 1 11  4   16 o 348.4289 14.74032 2936.873       244.9894 2992.100       339.8211 2877.104       353.5193 349.8128 20.40781 342.5023 21.70102 7.310486       29.78948 
1 1 1 11  4   17 o 244.6926 16.13653 1456.433       187.7191 1373.206       251.0081 1562.056       282.7708 235.6267 22.55713 250.9555 23.85489 -15.32881      32.83109 
1 1 1 11  4   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  4   19 o 235.2874 22.58193 1376.527       250.9053 1203.874       318.1193 1660.715       408.1356 215.8824 31.77153 252.4578 34.73453 -36.57542      47.07354 
1 1 1 11  4   20 o 312.4344 18.02227 2392.239       268.0585 2840.253       342.9759 1688.999       429.7038 338.9235 21.27403 252.6605 36.64114 86.26305       42.36930 
1 1 1 11  4   21 o 77.19976 28.63735 123.8397       140.5966 -107.6288      179.5304 490.9462       226.0935 60.09545 27.56022 134.9903 34.80855 -74.89482      44.39821 
1 1 1 11  4   22 o 163.1308 26.48277 684.2910       199.4650 291.7151       314.4691 948.5542       258.0087 112.4598 42.59534 191.3641 29.11801 -78.90432      51.59672 
1 1 1 11  4   23 o 80.31879 32.27070 99.27349       189.3640 239.3150       308.8364 14.90505       239.7122 106.7169 41.73738 79.55889 34.39380 27.15797       54.08274 
1 1 1 11  4   24 o 244.9966 18.10938 1482.610       210.6159 1578.886       268.0103 1327.146       340.5726 250.6648 22.60669 223.7901 32.80549 26.87473       39.84047 
1 1 1 11  4   25 o 113.1814 30.37433 343.9470       167.7713 312.4939       202.4803 412.8374       299.6613 108.2026 34.62704 122.7210 42.21748 -14.51833      54.60172 
1 1 1 11  4   26 o 361.5061 17.81266 3230.761       306.9116 3473.902       412.5406 2929.391       459.2903 370.5128 23.40890 335.2855 28.93546 35.22726       37.21878 
1 1 1 11  4   27 o 182.6381 33.08082 908.9066       278.2202 666.8423       338.1035 1416.590       489.6447 149.1874 44.23645 214.8589 48.78502 -65.67151      65.85471 
1 1 1 11  4   28 o 70.24480 29.36249 50.07208       164.8372 9.616014       176.2223 333.1634       466.1570 68.06680 29.45755 120.0434 49.71095 -51.97657      57.78344 
1 1 1 11  4   29 o 67.32995 28.17563 44.70977       152.0363 108.1429       183.6245 -93.57867      271.1224 79.02792 31.76891 74.73425 34.12052 4.293671       46.62053 
1 1 1 11  4   30 o 59.88143 28.20336 -170.5406      208.5425 28.93826       316.9395 -322.8445      276.9385 86.69112 38.44443 63.50336 30.61090 23.18776       49.14267 
1 1 1 11  4   31 o 82.60193 30.79135 165.3708       162.9195 71.53754       201.5247 342.3925       276.7980 76.03722 32.16395 108.7738 40.21240 -32.73663      51.49327 
1 1 1 11  4   32 o 63.93300 28.79235 -36.17439      185.1996 28.75759       201.6444 -386.2590      468.2129 71.65064 31.25411 81.27374 39.32959 -9.623093      50.23581 
1 1 1 11  4   33 o 72.96770 30.10865 92.51842       170.1762 186.2331       214.4046 -67.03862      279.7618 87.08492 34.55431 73.94575 34.09100 13.13917       48.54066 
1 1 1 11  4   34 o 94.51694 32.74101 272.2831       180.3487 181.8506       228.6917 421.0312       293.3011 85.13153 34.99231 109.4367 41.20629 -24.30521      54.05941 
1 1 1 11  4   35 o 130.2602 32.92920 542.8114       205.1447 507.0100       244.6640 627.5699       376.4540 119.5590 38.04197 119.9255 46.30912 -0.3664932     59.93101 
1 1 1 11  4   36 o 131.4451 28.36307 529.1639       173.0031 484.5074       250.0367 570.1779       239.6221 112.5323 38.56881 125.0956 37.27744 -12.56331      53.63917 
1 1 1 11  4   37 o 62.83860 27.76534 54.67583       163.8547 -103.2715      242.3992 187.5733       222.3481 61.09075 29.23534 78.13176 33.44120 -17.04101      44.41868 
1 1 1 11  5   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   3  o 364.4353 11.42776 3188.959       198.8625 0.000000       0.000000 3188.959       198.8625 ?        ?        364.4353 11.42776 0.000000       11.42776 
1 1 1 11  5   4  o 843.8999 8.591460 17057.41       346.6301 0.000000       0.000000 17057.41       346.6301 ?        ?        843.8999 8.591460 0.000000       8.591460 
1 1 1 11  5   5  o 326.2044 8.797681 2550.761       137.0786 0.000000       0.000000 2550.761       137.0786 ?        ?        326.2044 8.797681 0.000000       8.797681 
1 1 1 11  5   6  o 107.0026 9.539356 276.5290       48.28907 0.000000       0.000000 276.5290       48.28907 ?        ?        107.0026 9.539356 0.000000       9.539356 
1 1 1 11  5   7  o 628.0378 10.18798 9455.456       305.9019 0.000000       0.000000 9455.456       305.9019 ?        ?        628.0378 10.18798 0.000000       10.18798 
1 1 1 11  5   8  o 168.3916 10.55454 682.5757       84.54311 839.9576       110.7067 462.3727       130.9508 186.6356 12.47882 136.7881 20.66802 49.84750       24.14307 
1 1 1 11  5   9  o 244.1730 8.982333 1430.399       104.6777 1587.045       142.5665 1247.171       154.1890 256.9076 11.63754 227.3157 14.25966 29.59192       18.40571 
1 1 1 11  5   10 o 415.1923 8.623109 4129.792       171.1676 4103.822       225.6311 4165.000       262.7135 413.3871 11.42749 416.1373 13.22175 -2.750244      17.47576 
1 1 1 11  5   11 o 412.6030 8.979106 4079.612       177.1225 3996.752       230.2620 4199.693       277.1949 407.8526 11.82141 417.6834 13.90065 -9.830780      18.24757 
1 1 1 11  5   12 o 329.6778 13.64864 2618.236       214.6581 2518.570       294.6919 2730.892       313.3075 322.1100 19.22365 335.3509 19.62753 -13.24097      27.47342 
1 1 1 11  5   13 o 232.1904 12.50261 1299.475       138.2766 1322.346       166.5952 1248.822       247.9230 233.8139 14.98218 225.2918 23.35620 8.522141       27.74848 
1 1 1 11  5   14 o 231.1082 14.10227 1291.097       155.0745 1382.253       190.1211 1109.899       268.0496 238.6214 16.77210 210.9348 27.21370 27.68663       31.96700 
1 1 1 11  5   15 o 286.4016 14.29664 1982.257       195.1383 2151.738       262.0562 1771.315       292.3581 297.3541 18.52571 268.3519 23.00966 29.00223       29.54059 
1 1 1 11  5   16 o 306.9065 15.23095 2280.672       222.7832 2329.613       289.6348 2209.764       348.6303 308.8733 19.71676 299.0413 24.60256 9.832001       31.52835 
1 1 1 11  5   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   18 o 321.5959 16.88959 2517.193       258.7693 2861.892       350.6034 2104.737       383.5178 341.0725 21.61227 289.4140 28.06979 51.65848       35.42603 
1 1 1 11  5   19 o 315.0816 22.78385 2458.480       340.8907 2458.480       340.8907 0.000000       0.000000 315.0816 22.78385 ?        ?        0.000000       22.78385 
1 1 1 11  5   20 f 290.4093 22.34969 2093.356       307.9208 2093.356       307.9208 0.000000       0.000000 290.4093 22.34969 ?        ?        0.000000       22.34969 
1 1 1 11  5   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5   28 o 204.5139 24.38003 1077.089       233.6894 1102.336       259.1644 967.2751       540.5034 205.2774 27.06625 168.3548 56.72037 36.92258       62.84729 
1 1 1 11  5   29 o 206.0000 24.93744 1099.451       240.6056 953.5452       267.8807 1708.480       547.2981 187.9368 30.88606 232.7314 50.63150 -44.79457      59.30850 
1 1 1 11  5   30 o 114.9341 38.34554 380.6927       247.0899 -52.73029      390.6438 669.7392       319.0133 89.88255 41.00595 147.4654 42.76511 -57.58282      59.24815 
1 1 1 11  5   31 o 105.5935 34.25569 318.9336       197.7136 635.4808       251.0845 -197.6682      320.7589 146.7989 36.04464 74.20010 34.95669 72.59882       50.21141 
1 1 1 11  5   32 o 97.11685 34.25486 264.4511       197.9459 49.37154       254.9291 591.0140       314.1255 79.84741 34.97843 134.1909 43.14807 -54.34348      55.54499 
1 1 1 11  5   33 o 50.49257 24.65121 -294.5974      195.2404 -284.0090      255.7124 -309.3982      302.3282 60.60075 29.26200 65.85954 31.80530 -5.258789      43.21853 
1 1 1 11  5   34 o 101.9709 43.19711 323.0280       364.3805 426.0174       508.7033 214.5076       522.1849 109.6312 48.65672 100.4012 46.39018 9.230026       67.22742 
1 1 1 11  5   35 o 48.55009 24.13318 -410.5365      217.8135 -314.3248      514.2744 -431.5679      240.4443 79.60759 39.10172 51.19874 25.43395 28.40885       46.64579 
1 1 1 11  5   36 o 133.8422 28.40057 543.7107       176.0980 483.5677       239.7721 614.1431       259.4732 114.7311 37.75563 128.8112 38.88476 -14.08010      54.19882 
1 1 1 11  5   37 o 66.16905 28.81615 79.85497       170.8205 3.447768       232.0890 170.1721       252.3321 66.09591 30.67429 78.31121 34.53501 -12.21530      46.19068 
1 1 1 11  6   0  o 205.8966 8.401632 1017.015       82.52929 1032.867       101.3256 985.7723       142.2504 207.3183 10.25470 201.9336 14.83815 5.384720       18.03689 
1 1 1 11  6   1  o 438.7840 6.042764 4606.853       126.7637 4805.683       214.9470 4500.824       156.9653 447.7679 10.04084 433.5844 7.572192 14.18341       12.57603 
1 1 1 11  6   2  o 113.3847 8.245805 309.4893       44.39331 0.000000       0.000000 309.4893       44.39331 ?        ?        113.3847 8.245805 0.000000       8.245805 
1 1 1 11  6   3  o 212.2047 7.472128 1079.352       75.68842 0.000000       0.000000 1079.352       75.68842 ?        ?        212.2047 7.472128 0.000000       7.472128 
1 1 1 11  6   4  o 794.3167 8.320156 15109.77       315.9610 0.000000       0.000000 15109.77       315.9610 ?        ?        794.3167 8.320156 0.000000       8.320156 
1 1 1 11  6   5  o 336.1714 8.765581 2708.793       140.7600 0.000000       0.000000 2708.793       140.7600 ?        ?        336.1714 8.765581 0.000000       8.765581 
1 1 1 11  6   6  o 52.15953 11.21454 67.75559       27.13361 0.000000       0.000000 67.75559       27.13361 ?        ?        52.15953 11.21454 0.000000       11.21454 
1 1 1 11  6   7  o 488.2787 7.627942 5708.186       178.0670 0.000000       0.000000 5708.186       178.0670 ?        ?        488.2787 7.627942 0.000000       7.627942 
1 1 1 11  6   8  o 130.1885 6.948673 406.8478       43.09302 338.6427       76.07436 439.0737       52.29165 117.9306 13.75053 135.1620 8.129832 -17.23138      15.97408 
1 1 1 11  6   9  o 255.9548 9.586652 1572.301       117.1037 1391.371       183.3179 1697.030       152.2068 239.8568 16.07905 265.6337 12.01624 -25.77689      20.07302 
1 1 1 11  6   10 o 346.8870 8.026525 2881.835       133.1141 2855.611       178.8431 2914.409       199.3209 344.8677 10.86058 348.2368 11.98997 -3.369110      16.17750 
1 1 1 11  6   11 o 357.9937 8.299374 3069.986       142.0460 2908.499       185.3728 3299.672       221.0777 347.9815 11.15689 370.4464 12.50068 -22.46497      16.75540 
1 1 1 11  6   12 o 269.8181 9.590328 1747.591       123.5156 1785.919       148.8624 1662.892       221.2888 272.5242 11.45092 261.8442 17.78249 10.68002       21.15042 
1 1 1 11  6   13 o 51.24308 16.23289 62.30452       44.59078 91.43416       53.60600 -3.121627      80.33810 60.84312 17.49599 46.87407 20.08282 13.96904       26.63511 
1 1 1 11  6   14 o 248.5646 10.05795 1484.902       119.2777 1488.365       146.4053 1478.066       205.6971 248.5149 12.36122 246.6409 17.55918 1.873962       21.47381 
1 1 1 11  6   15 o 332.9123 12.53125 2670.075       199.0932 2746.882       248.2922 2531.760       333.1966 336.9978 15.45201 321.6320 21.79747 15.36575       26.71881 
1 1 1 11  6   16 o 157.4703 27.02619 627.5100       196.1414 0.000000       0.000000 627.5100       196.1414 ?        ?        157.4703 27.02619 0.000000       27.02619 
1 1 1 11  6   17 o 188.2416 15.57272 862.6649       138.8957 1281.215       184.7017 317.9143       210.7152 229.3105 16.96782 111.9962 35.26288 117.3143       39.13282 
1 1 1 11  6   18 o 276.2204 14.58368 1849.488       191.9064 1961.888       261.0970 1717.420       283.0201 283.0263 19.41355 263.5545 22.68191 19.47180       29.85556 
1 1 1 11  6   19 f 334.5816 14.92455 2716.301       238.1318 2807.283       330.2168 2617.721       343.7277 337.9359 20.53579 325.5204 22.21977 12.41547       30.25619 
1 1 1 11  6   20 o 192.2355 17.52586 907.9282       159.3030 839.4484       233.0804 967.9594       218.2292 181.1441 27.80021 196.4170 23.71917 -15.27287      36.54382 
1 1 1 11  6   21 o 350.5740 13.28019 2978.519       222.1807 3007.182       286.3412 2935.153       352.2098 350.6818 17.13083 344.2353 21.50866 6.446442       27.49705 
1 1 1 11  6   22 o 301.8293 15.22031 2220.670       218.9220 2508.305       302.5556 1904.585       317.1657 318.6574 19.95996 275.3122 24.34711 43.34515       31.48303 
1 1 1 11  6   23 o 84.07698 34.30130 98.15066       217.6963 -43.86613      341.1262 195.7276       282.7606 89.08971 39.67404 100.6577 39.76361 -11.56800      56.17093 
1 1 1 11  6   24 o 167.5489 30.31290 739.8942       233.8799 1040.887       349.2546 495.1783       314.9164 194.1820 38.97647 133.1043 43.23663 61.07770       58.21143 
1 1 1 11  6   25 o 349.6180 19.19391 3025.907       319.5923 3164.720       399.3537 2778.660       532.9779 354.4156 23.70505 322.3809 35.14916 32.03470       42.39567 
1 1 1 11  6   26 o 180.7593 26.07863 845.9753       218.8591 924.9456       244.9284 533.1186       487.5059 188.0315 28.10709 137.0626 52.75876 50.96883       59.77872 
1 1 1 11  6   27 o 209.2767 30.01221 1161.818       291.6981 817.2382       369.6714 1730.365       474.8478 164.6036 45.47086 245.6092 41.94390 -81.00560      61.86186 
1 1 1 11  6   28 o 115.2424 33.75243 367.9734       197.8493 523.1467       218.4359 -340.8078      466.8436 137.1936 33.57949 87.03255 41.34712 50.16109       53.26506 
1 1 1 11  6   29 o 183.8098 26.60229 886.4515       226.9844 815.7955       256.0099 1146.120       490.7854 172.7996 32.17245 186.8273 52.68330 -14.02774      61.73003 
1 1 1 11  6   30 o 64.81359 29.59548 -83.33651      204.0753 -178.3856      220.4018 487.8545       540.2962 61.72626 29.04805 129.2363 53.51807 -67.51003      60.89312 
1 1 1 11  6   31 o 111.1576 36.46165 360.6616       223.6904 326.5623       241.4056 567.7479       594.9083 106.8235 37.81514 130.4118 55.21803 -23.58826      66.92545 
1 1 1 11  6   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  6   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  6   34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  6   35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  6   36 f 119.8490 36.50303 507.0300       227.9585 208.3214       388.5496 663.8130       281.4959 89.43478 40.83768 131.9978 40.63240 -42.56299      57.60823 
1 1 1 11  6   37 f 75.48285 35.03213 81.18632       302.7668 64.03194       403.0597 103.4002       458.6629 79.08946 37.80809 82.15675 39.54979 -3.067291      54.71414 
1 1 1 11  7   0  o 733.9263 10.53748 12915.22       369.7408 11810.05       1171.426 13037.51       389.6597 690.1749 35.62207 737.2802 11.05464 -47.10522      37.29795 
1 1 1 11  7   1  o 336.2977 5.845631 2705.988       93.98610 2522.389       158.2216 2806.094       116.8322 324.2224 10.22015 342.3845 7.137403 -18.16208      12.46571 
1 1 1 11  7   2  o 205.2123 10.14781 1011.873       99.25102 0.000000       0.000000 1011.873       99.25102 ?        ?        205.2123 10.14781 0.000000       10.14781 
1 1 1 11  7   3  o 394.6843 7.322476 3729.022       138.1707 0.000000       0.000000 3729.022       138.1707 ?        ?        394.6843 7.322476 0.000000       7.322476 
1 1 1 11  7   4  o 177.6888 9.770848 758.9185       82.68482 0.000000       0.000000 758.9185       82.68482 ?        ?        177.6888 9.770848 0.000000       9.770848 
1 1 1 11  7   5  o 245.2274 7.457611 1440.979       87.33173 0.000000       0.000000 1440.979       87.33173 ?        ?        245.2274 7.457611 0.000000       7.457611 
1 1 1 11  7   6  f 380.0877 14.18922 3476.803       257.3875 0.000000       0.000000 3476.803       257.3875 ?        ?        380.0877 14.18922 0.000000       14.18922 
1 1 1 11  7   7  o 338.3722 7.530238 2741.178       121.8181 0.000000       0.000000 2741.178       121.8181 ?        ?        338.3722 7.530238 0.000000       7.530238 
1 1 1 11  7   8  o 281.9480 7.013501 1902.866       94.53925 2116.346       140.9070 1728.092       127.4943 296.9749 9.938405 268.3197 9.955976 28.65518       14.06746 
1 1 1 11  7   9  o 310.5760 9.277162 2313.442       137.5955 2285.212       159.6213 2395.086       271.4521 308.4861 10.83982 314.5630 18.12676 -6.076874      21.12064 
1 1 1 11  7   10 o 482.1042 9.953952 5572.104       229.4272 5597.766       251.1119 5442.482       564.3785 483.0780 10.87281 472.1903 25.09036 10.88766       27.34491 
1 1 1 11  7   11 o 257.1374 8.771277 1586.095       107.6714 1462.840       140.1243 1763.783       168.2442 246.5580 11.92272 270.6223 13.04213 -24.06435      17.67055 
1 1 1 11  7   12 o 308.9787 13.32127 2299.354       196.3184 2476.442       272.2367 2107.484       283.3703 319.7366 17.88050 294.3103 20.26278 25.42624       27.02392 
1 1 1 11  7   13 f 202.1333 10.51286 983.0405       101.2447 1008.647       127.6047 939.5302       166.3377 204.3913 13.12800 196.3754 17.91426 8.015915       22.20957 
1 1 1 11  7   14 o 159.4614 14.64524 617.7710       110.4046 645.5799       144.7859 579.1369       170.6553 162.1693 19.03655 152.2155 24.26452 9.953781       30.84084 
1 1 1 11  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  7   16 o 338.4540 14.10465 2767.293       227.7286 2723.298       324.8123 2809.826       319.3704 333.8289 20.44981 339.3485 19.77085 -5.519623      28.44436 
1 1 1 11  7   17 o 111.2136 31.14413 318.9196       172.1378 258.8983       214.1200 428.5966       289.4427 104.0955 35.69091 128.8859 41.41589 -24.79041      54.67282 
1 1 1 11  7   18 o 114.0430 21.96119 328.9240       115.3944 184.6030       146.0023 569.1198       188.3552 87.90928 29.47844 149.2354 27.40936 -61.32613      40.25235 
1 1 1 11  7   19 o 201.3526 15.72540 989.0083       150.1797 1113.704       195.8828 811.1917       233.9146 212.6450 19.48418 178.1220 28.42294 34.52293       34.46008 
1 1 1 11  7   20 o 348.6522 15.55648 2956.990       258.6527 3225.181       366.7316 2691.535       364.8560 361.4491 21.31697 329.0436 23.34473 32.40549       31.61312 
1 1 1 11  7   21 f 242.3789 14.73623 1430.827       169.9544 1618.130       222.5235 1168.608       263.2908 256.5735 18.26010 214.6185 26.20287 41.95503       31.93778 
1 1 1 11  7   22 o 50.77659 22.88052 -51.43987      117.1473 -123.4406      126.7491 370.4934       306.8303 47.11185 22.12595 120.2162 42.62519 -73.10439      48.02567 
1 1 1 11  7   23 o 64.82693 25.00762 74.16173       109.6999 166.3880       135.8290 -98.83601      186.0310 83.21966 28.42959 61.86592 28.25228 21.35374       40.08033 
1 1 1 11  7   24 o 92.67763 25.61962 223.5370       117.3075 123.7576       148.5446 388.8783       191.2172 77.83792 29.32123 120.1900 32.50232 -42.35209      43.77368 
1 1 1 11  7   25 o 235.2316 17.34465 1364.906       193.6888 1381.954       234.9170 1328.713       342.2886 234.9716 21.13745 223.4544 33.03456 11.51723       39.21828 
1 1 1 11  7   26 o 58.87841 26.56504 -60.69505      158.4930 -96.96671      274.7459 -42.60434      194.0329 76.01992 34.56807 67.04638 29.88555 8.973541       45.69570 
1 1 1 11  7   27 o 343.1005 16.26609 2898.178       266.0569 3430.126       369.5803 2325.948       383.3183 369.8198 20.98925 299.6806 27.04497 70.13925       34.23418 
1 1 1 11  7   28 o 76.52900 28.20308 130.6971       135.9718 -19.64499      178.9665 335.9731       209.1224 65.89565 29.07104 110.4571 35.17329 -44.56144      45.63206 
1 1 1 11  7   29 o 53.83188 24.26834 -49.68831      131.9619 -445.3257      180.7830 401.5412       193.0668 43.13427 21.52816 120.2179 32.72215 -77.08362      39.16888 
1 1 1 11  7   30 o 57.53754 25.26616 -12.80797      133.7380 -198.8074      184.8167 191.6474       193.7691 54.21534 25.82971 89.54937 33.54011 -35.33403      42.33335 
1 1 1 11  7   31 o 57.90635 25.53318 -13.29795      137.8889 123.3317       190.2728 -164.4167      200.1075 80.19669 32.30384 58.47157 27.56630 21.72511       42.46691 
1 1 1 11  7   32 o 58.96619 27.11646 -81.67624      175.4343 -221.2188      320.8860 -22.18468      209.5198 72.45683 34.38115 68.82973 30.84099 3.627098       46.18690 
1 1 1 11  7   33 o 67.87864 28.19277 66.70579       150.5596 174.7897       194.2378 -95.97992      238.3022 85.00010 33.14155 67.51586 31.24585 17.48424       45.54850 
1 1 1 11  7   34 o 77.06267 34.22262 49.47587       252.0329 -253.1735      349.5970 376.9937       363.6765 71.87970 34.58367 106.7749 44.03234 -34.89516      55.98997 
1 1 1 11  7   35 f 107.2315 39.25472 410.6506       262.7085 454.3826       365.0713 363.6830       378.3355 107.6848 44.23159 101.1580 43.46504 6.526810       62.01325 
1 1 1 11  7   36 o 108.7282 44.71038 520.5475       373.5607 317.0638       455.4910 938.5954       652.8719 95.81602 43.92593 117.8141 53.46036 -21.99810      69.19174 
1 1 1 11  7   37 o 114.7560 48.52700 815.7197       458.4938 636.4308       680.9597 964.4025       620.1188 97.93895 47.40290 109.9802 50.72237 -12.04121      69.42474 
1 1 1 11  7   38 o 60.69728 29.78189 -210.5162      295.8648 -711.6987      721.4517 -109.1861      324.3982 71.94222 36.69010 66.16900 32.18636 5.773224       48.80702 
1 1 1 11  8   0  o 312.7166 8.920952 2344.782       133.2375 2291.779       261.1749 2363.429       154.9115 307.7575 17.82696 313.7952 10.34005 -6.037720      20.60867 
1 1 1 11  8   1  o 163.8294 6.860492 643.5508       53.61587 649.0207       101.3718 641.4263       63.17545 163.8795 13.04611 163.4596 8.109378 0.4199066      15.36109 
1 1 1 11  8   2  o 358.1840 9.524480 3076.572       162.9560 0.000000       0.000000 3076.572       162.9560 ?        ?        358.1840 9.524480 0.000000       9.524480 
1 1 1 11  8   3  o 101.7954 10.02635 250.7645       48.16273 0.000000       0.000000 250.7645       48.16273 ?        ?        101.7954 10.02635 0.000000       10.02635 
1 1 1 11  8   4  f 323.1741 9.340266 2504.574       144.1612 0.000000       0.000000 2504.574       144.1612 ?        ?        323.1741 9.340266 0.000000       9.340266 
1 1 1 11  8   5  o 307.7347 7.497359 2267.218       110.3045 0.000000       0.000000 2267.218       110.3045 ?        ?        307.7347 7.497359 0.000000       7.497359 
1 1 1 11  8   6  o 543.6131 9.827102 7082.795       255.4017 0.000000       0.000000 7082.795       255.4017 ?        ?        543.6131 9.827102 0.000000       9.827102 
1 1 1 11  8   7  o 227.4772 8.383867 1241.041       91.02216 0.000000       0.000000 1241.041       91.02216 ?        ?        227.4772 8.383867 0.000000       8.383867 
1 1 1 11  8   8  o 287.4906 8.627174 1981.652       118.4429 0.000000       0.000000 1981.652       118.4429 ?        ?        287.4906 8.627174 0.000000       8.627174 
1 1 1 11  8   9  o 436.1864 8.677256 4557.968       180.9518 4903.918       474.0746 4498.971       195.7741 449.2224 22.14202 433.2661 9.451314 15.95624       24.07481 
1 1 1 11  8   10 o 363.0912 14.52939 3176.415       251.7061 3506.084       353.5754 2837.676       358.4060 380.3231 19.51079 341.3677 22.07904 38.95538       29.46447 
1 1 1 11  8   11 o 271.2905 9.927601 1767.124       128.5447 2088.706       185.5257 1470.201       178.2706 294.4980 13.21054 246.6476 15.19172 47.85036       20.13223 
1 1 1 11  8   12 o 320.8136 13.91064 2480.737       212.8505 2686.646       297.4717 2264.712       304.6902 332.7836 18.77328 304.8614 21.03381 27.92218       28.19321 
1 1 1 11  8   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  8   14 o 82.38925 23.34633 170.0995       96.13940 51.36498       141.1764 272.7790       131.2851 68.30138 27.71274 103.4727 26.44314 -35.17127      38.30451 
1 1 1 11  8   15 o 123.8603 22.03059 384.7649       125.6754 354.4778       194.1600 406.6042       164.8733 117.3731 33.14991 126.0006 28.08705 -8.627472      43.44881 
1 1 1 11  8   16 o 105.1288 25.68366 282.6540       127.9671 429.1399       198.7533 178.9326       167.2440 128.5030 32.37199 89.28193 31.48691 39.22106       45.15940 
1 1 1 11  8   17 o 250.4681 14.26810 1519.621       170.1479 1760.484       227.2285 1212.203       256.7106 268.7035 17.78823 220.5818 24.77003 48.12177       30.49550 
1 1 1 11  8   18 o 339.3867 15.27348 2794.011       247.1877 3060.064       338.0929 2488.469       362.3152 353.3641 20.09552 316.8129 24.10165 36.55121       31.38024 
1 1 1 11  8   19 o 207.8674 15.27529 1052.799       150.7442 1405.225       197.0943 556.0689       233.9917 239.7080 17.31490 144.8057 34.32563 94.90233       38.44548 
1 1 1 11  8   20 o 310.6884 14.57461 2344.754       215.8828 2554.075       272.3612 1990.977       354.0820 323.0864 17.70029 280.9775 26.67836 42.10883       32.01617 
1 1 1 11  8   21 o 352.4112 15.64637 3026.271       262.9587 3061.781       359.3429 2985.334       385.8275 351.5516 21.48277 345.9549 23.46622 5.596710       31.81466 
1 1 1 11  8   22 o 255.6068 16.86596 1601.688       204.9547 1924.540       254.4366 1005.078       345.8779 279.3000 19.17089 191.7230 39.06225 87.57703       43.51301 
1 1 1 11  8   23 o 306.4651 15.00613 2290.219       219.1975 2434.694       295.3614 2113.095       327.0373 313.7564 19.79116 290.0578 23.79222 23.69861       30.94769 
1 1 1 11  8   24 o 113.7014 25.34840 337.3487       134.2749 323.3341       148.3287 400.9695       316.0346 110.6008 28.02282 122.6674 43.28150 -12.06654      51.56129 
1 1 1 11  8   25 o 265.6560 15.01914 1726.390       189.9768 1949.222       255.5969 1451.333       283.9736 280.3579 19.18491 238.5326 25.28594 41.82532       31.74019 
1 1 1 11  8   26 o 53.45115 24.60468 -91.95650      144.9401 -570.4858      237.9170 190.4492       182.7713 49.74362 24.80643 89.94675 32.77105 -40.20313      41.10110 
1 1 1 11  8   27 o 77.99741 26.75846 148.2057       120.3597 315.3129       152.1842 -130.8930      196.6759 108.2009 28.88058 60.97170 28.27587 47.22922       40.41798 
1 1 1 11  8   28 o 206.9230 19.71958 1076.197       192.7249 920.1558       228.8861 1456.352       357.2566 187.7487 26.21324 231.4970 33.23090 -43.74831      42.32524 
1 1 1 11  8   29 o 58.87904 26.65331 -62.03905      161.1069 -111.6038      181.9275 118.0839       346.8139 59.24322 27.37628 97.05495 41.65712 -37.81173      49.84753 
1 1 1 11  8   30 o 59.79634 27.00715 -54.64552      164.3067 -86.10097      185.3384 60.83336       355.1149 61.31718 28.07639 92.95749 40.98261 -31.64031      49.67754 
1 1 1 11  8   31 f 65.88775 27.17310 58.64836       138.5135 -145.5260      191.3468 283.4233       200.7681 57.98843 27.21877 100.6208 34.55820 -42.63235      43.99012 
1 1 1 11  8   32 o 189.0585 22.76918 938.4191       201.6648 1117.398       346.4352 846.6867       248.0175 191.1941 39.21680 173.1177 31.10971 18.07632       50.05768 
1 1 1 11  8   33 o 117.0180 27.30286 383.7802       149.9398 381.9258       201.3881 386.0868       224.5995 112.6493 34.30970 112.1495 36.52000 0.4997864      50.10854 
1 1 1 11  8   34 o 142.9480 27.94619 584.1745       184.1417 395.5487       218.6047 1044.983       341.6798 111.0757 36.01894 176.3959 41.25540 -65.32019      54.76653 
1 1 1 11  8   35 o 75.47036 33.62687 67.99298       245.3978 -180.7692      341.3600 334.0451       353.0236 71.46664 34.33041 98.76305 42.20111 -27.29642      54.40139 
1 1 1 11  8   36 o 172.2618 31.37288 927.8204       248.8596 1452.013       321.2616 141.3493       393.5089 214.5368 32.32479 86.17667 39.97560 128.3602       51.40953 
1 1 1 11  8   37 o 51.54652 24.45283 -100.1990      162.1159 164.7514       218.5531 -424.3171      241.7276 76.90724 33.04012 49.83302 24.87495 27.07422       41.35714 
1 1 1 11  8   38 o 77.15720 30.92688 201.7131       173.4880 626.4267       239.5214 -267.0049      251.6240 123.6059 37.36990 54.56662 26.90845 69.03931       46.04969 
1 1 1 11  9   0  o 481.7977 9.825662 5564.893       226.3262 5469.121       555.5653 5583.949       247.8227 473.4513 24.62902 482.4865 10.74355 -9.035156      26.87029 
1 1 1 11  9   1  o 79.18918 10.67340 153.0875       39.38094 158.5702       61.21068 149.2153       51.44086 79.67268 16.60880 77.55346 14.40403 2.119225       21.98473 
1 1 1 11  9   2  f 466.0901 9.607470 5206.662       214.0855 0.000000       0.000000 5206.662       214.0855 ?        ?        466.0901 9.607470 0.000000       9.607470 
1 1 1 11  9   3  o 197.8217 10.29041 940.7711       96.98830 0.000000       0.000000 940.7711       96.98830 ?        ?        197.8217 10.29041 0.000000       10.29041 
1 1 1 11  9   4  f 294.4450 9.410250 2079.732       132.2987 0.000000       0.000000 2079.732       132.2987 ?        ?        294.4450 9.410250 0.000000       9.410250 
1 1 1 11  9   5  o 216.7007 9.402530 1127.434       97.18040 0.000000       0.000000 1127.434       97.18040 ?        ?        216.7007 9.402530 0.000000       9.402530 
1 1 1 11  9   6  o 155.0450 10.55375 579.1017       77.76359 0.000000       0.000000 579.1017       77.76359 ?        ?        155.0450 10.55375 0.000000       10.55375 
1 1 1 11  9   7  o 88.96063 11.36580 192.9379       47.23734 0.000000       0.000000 192.9379       47.23734 ?        ?        88.96063 11.36580 0.000000       11.36580 
1 1 1 11  9   8  o 281.9537 9.312756 1907.283       125.3626 0.000000       0.000000 1907.283       125.3626 ?        ?        281.9537 9.312756 0.000000       9.312756 
1 1 1 11  9   9  o 324.6194 7.985377 2523.884       123.9305 2303.190       279.8928 2577.703       138.2180 308.1268 19.09382 327.8741 8.825599 -19.74725      21.03486 
1 1 1 11  9   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  9   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  9   12 o 591.0344 21.06961 8492.639       594.4047 8636.888       838.0568 8346.616       843.1973 591.1624 29.74790 580.6470 30.48121 10.51532       42.59157 
1 1 1 11  9   13 o 60.59246 23.86441 52.58703       101.5730 59.38017       173.1949 49.02569       125.4028 75.01105 30.59798 64.95336 26.20347 10.05769       40.28471 
1 1 1 11  9   14 o 179.5972 13.75207 781.4846       117.1817 753.8508       160.5834 812.9603       171.3832 175.1868 19.50333 181.8712 20.04235 -6.684418      27.96562 
1 1 1 11  9   15 o 464.3019 11.04181 5181.155       245.1033 5238.440       275.0332 4960.091       540.2853 466.3877 12.34559 448.5308 25.29802 17.85693       28.14966 
1 1 1 11  9   16 o 169.7596 14.38579 700.5626       115.6569 754.2084       153.5739 630.2682       175.7963 175.2372 18.61534 158.5860 23.93073 16.65118       30.31849 
1 1 1 11  9   17 o 169.9674 14.94562 703.8150       120.2118 652.9044       154.8965 780.9162       190.6197 162.3212 20.41003 176.9328 23.08464 -14.61159      30.81347 
1 1 1 11  9   18 o 159.9986 18.88379 632.5075       141.6689 572.8861       207.2878 684.7653       194.0654 148.5970 30.20857 164.4985 25.50107 -15.90143      39.53306 
1 1 1 11  9   19 o 54.08414 22.52996 19.35659       96.56006 -60.73571      117.9122 182.4265       168.2481 50.24657 22.76814 89.16737 31.56903 -38.92080      38.92290 
1 1 1 11  9   20 o 281.9944 22.08692 1974.842       295.3977 0.000000       0.000000 1974.842       295.3977 ?        ?        281.9944 22.08692 0.000000       22.08692 
1 1 1 11  9   21 o 91.11872 29.17620 209.0949       143.7354 487.8701       220.2951 2.441048       189.6704 134.7451 34.15666 70.90636 30.62340 63.83871       45.87450 
1 1 1 11  9   22 o 126.8033 20.96272 406.6385       122.6462 510.6933       155.6759 236.3768       199.1356 141.4204 23.87416 98.43333 34.38563 42.98706       41.86105 
1 1 1 11  9   23 o 72.36216 27.65236 99.40099       133.2649 33.18146       146.1824 425.1907       324.2431 65.98226 27.62090 125.9442 43.88491 -59.96194      51.85363 
1 1 1 11  9   24 o 342.1625 15.87256 2865.311       258.9422 3221.473       356.2993 2466.616       376.9737 359.8982 20.79603 311.6983 25.52019 48.19983       32.92044 
1 1 1 11  9   25 o 190.9734 19.26023 909.8143       173.4501 1109.637       263.9641 757.9748       230.0993 207.0060 27.33962 169.4994 29.46373 37.50667       40.19410 
1 1 1 11  9   26 o 142.5072 22.38209 520.1553       147.4712 484.4982       165.1961 660.0799       327.2453 135.7544 26.40379 149.7831 43.27650 -14.02869      50.69532 
1 1 1 11  9   27 o 199.5881 16.32421 985.5737       154.4073 1076.180       203.2580 861.9371       237.4334 206.4699 20.87780 180.5419 28.44835 25.92801       35.28726 
1 1 1 11  9   28 o 157.1721 19.10564 622.5060       140.6185 545.2769       181.7130 737.7930       222.0164 143.1371 27.55356 166.2255 28.99060 -23.08842      39.99567 
1 1 1 11  9   29 o 94.68536 27.22577 239.8411       129.8108 129.4474       165.7331 415.0595       208.7983 79.45555 30.71461 121.3808 34.40937 -41.92522      46.12366 
1 1 1 11  9   30 o 247.2351 16.23956 1518.694       190.8893 1542.215       254.6396 1488.519       288.4220 245.4003 21.93518 238.1484 25.74074 7.251846       33.81919 
1 1 1 11  9   31 o 112.9083 29.73216 358.5870       162.6790 425.3583       181.3281 83.14585       368.2855 122.4099 30.96649 93.37105 41.42234 29.03882       51.71782 
1 1 1 11  9   32 o 97.51303 32.22983 270.4829       174.6581 374.0013       197.8476 -95.08729      371.7983 112.4035 33.95955 83.14900 38.66873 29.25451       51.46379 
1 1 1 11  9   33 o 64.16356 27.75590 25.52239       156.3109 119.4499       175.7829 -329.3732      341.6885 76.74291 31.00085 69.65721 33.68150 7.085701       45.77659 
1 1 1 11  9   34 o 92.44367 35.72891 250.4957       224.2341 451.6671       313.3511 39.36005       321.0176 112.5407 42.54362 81.84145 37.27375 30.69922       56.56228 
1 1 1 11  9   35 o 68.67561 29.00369 83.84713       163.4406 98.60236       187.7180 37.61335       332.2864 72.54740 30.87923 79.86215 36.93743 -7.314751      48.14458 
1 1 1 11  9   36 o 65.47260 28.63551 53.31869       170.2529 -35.26842      195.7347 328.6552       345.0758 61.70815 28.47287 94.83619 41.13145 -33.12804      50.02499 
1 1 1 11  9   37 o 106.1754 33.22858 405.9284       187.3848 610.6344       214.1740 -262.2461      386.9426 131.3974 33.87679 67.48942 33.29759 63.90794       47.50123 
1 1 1 11  10  0  o 384.2032 9.240763 3538.532       169.7372 3199.020       357.9955 3636.988       192.7839 362.6902 20.73225 389.2334 10.36906 -26.54312      23.18067 
1 1 1 11  10  1  o 338.6483 7.994233 2747.010       129.4297 2945.805       165.5148 2434.110       207.6523 350.3607 9.891179 317.8640 13.69643 32.49661       16.89460 
1 1 1 11  10  2  o 460.1288 7.296340 5069.390       160.5066 4530.255       489.3049 5134.398       169.9080 430.9165 23.84374 463.0289 7.675337 -32.11237      25.04865 
1 1 1 11  10  3  o 381.7712 14.78272 3512.500       269.3049 0.000000       0.000000 3512.500       269.3049 ?        ?        381.7712 14.78272 0.000000       14.78272 
1 1 1 11  10  4  o 231.9906 16.69401 1303.945       183.9186 0.000000       0.000000 1303.945       183.9186 ?        ?        231.9906 16.69401 0.000000       16.69401 
1 1 1 11  10  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  10  6  o 142.8698 18.22345 500.6134       121.6447 0.000000       0.000000 500.6134       121.6447 ?        ?        142.8698 18.22345 0.000000       18.22345 
1 1 1 11  10  7  o 514.8796 10.34223 6358.288       254.5823 0.000000       0.000000 6358.288       254.5823 ?        ?        514.8796 10.34223 0.000000       10.34223 
1 1 1 11  10  8  o 177.1073 9.901253 754.4953       83.50311 0.000000       0.000000 754.4953       83.50311 ?        ?        177.1073 9.901253 0.000000       9.901253 
1 1 1 11  10  9  o 310.1710 12.74189 2315.995       188.5462 0.000000       0.000000 2315.995       188.5462 ?        ?        310.1710 12.74189 0.000000       12.74189 
1 1 1 11  10  10 o 464.8307 8.844835 5179.030       196.5590 4267.260       509.2671 5338.630       213.0689 417.0213 25.66779 471.8488 9.445152 -54.82742      27.35044 
1 1 1 11  10  11 o 461.8307 17.19894 5160.777       379.0823 5232.571       531.7073 5086.560       540.6103 462.3536 24.13774 455.4898 24.92040 6.863770       34.69376 
1 1 1 11  10  12 o 65.55052 22.61081 95.59708       85.97605 173.3652       122.5439 20.20784       120.6551 84.57520 26.92444 60.16822 25.13362 24.40697       36.83238 
1 1 1 11  10  13 o 137.4963 21.83262 471.4537       138.7261 666.4960       181.5000 197.4165       215.1379 163.4488 23.93592 96.81151 35.50978 66.63728       42.82374 
1 1 1 11  10  14 f 79.71872 28.31623 138.6254       135.4586 19.73271       175.0943 315.8594       213.7804 70.91907 29.98893 112.1137 35.54666 -41.19459      46.50700 
1 1 1 11  10  15 o 484.0356 10.90782 5632.322       252.4200 5773.282       281.5231 5054.349       570.0594 489.7585 12.02330 451.6237 26.51859 38.13480       29.11692 
1 1 1 11  10  16 o 302.0512 13.66182 2206.192       196.7758 2293.910       268.9313 2105.115       288.6834 306.5873 18.43271 292.8468 20.75371 13.74051       27.75755 
1 1 1 11  10  17 o 141.9169 15.48894 493.4330       103.3868 488.3671       136.4480 500.2621       158.4224 139.7682 21.07428 140.4934 24.47487 -0.7252502     32.29775 
1 1 1 11  10  18 o 89.79510 26.78008 204.4993       123.6289 -115.2842      191.3969 433.4416       161.9459 62.20628 28.50150 129.6245 27.00962 -67.41823      39.26646 
1 1 1 11  10  19 f 145.1967 18.95655 523.9480       128.4511 577.9555       144.8932 325.6748       277.6213 152.1630 20.43329 114.7606 40.55928 37.40240       45.41558 
1 1 1 11  10  20 o 198.7513 14.68686 963.6853       138.5697 1108.597       180.0463 753.1293       217.0286 212.2468 17.91030 171.1872 27.44480 41.05963       32.77188 
1 1 1 11  10  21 o 76.14499 28.07359 122.1718       134.7505 -60.56808      208.3410 253.5920       176.6808 68.90473 30.82323 99.73958 32.38437 -30.83485      44.70816 
1 1 1 11  10  22 o 191.6639 20.91604 917.6469       188.5517 918.7821       233.3495 915.5114       320.0395 189.4077 26.49284 183.1685 37.80048 6.239182       46.16002 
1 1 1 11  10  23 o 210.4027 17.34579 1091.553       172.9348 924.4979       249.4666 1246.100       239.9446 188.6653 28.54900 222.4870 22.88380 -33.82170      36.58844 
1 1 1 11  10  24 o 171.8541 25.84726 761.0452       205.7947 690.8764       257.6664 884.6597       341.9954 159.1639 34.83109 176.6656 41.24435 -17.50172      53.98427 
1 1 1 11  10  25 o 172.8528 21.59667 755.9885       174.5891 778.8369       268.7186 739.2983       229.6674 168.8204 34.46124 166.9169 29.87709 1.903595       45.60940 
1 1 1 11  10  26 f 157.6638 19.48883 625.8090       143.7773 544.4622       187.9848 740.4656       223.1783 142.9596 28.50480 167.0260 28.99998 -24.06644      40.66353 
1 1 1 11  10  27 o 234.5020 18.30134 1370.398       203.5575 1420.608       248.2361 1267.330       355.6576 236.5545 22.20931 213.6408 36.10612 22.91368       42.38992 
1 1 1 11  10  28 o 125.0422 29.11559 423.5062       170.7949 336.8918       282.7137 473.2858       214.3272 111.9362 40.76147 129.9999 34.07641 -18.06369      53.12908 
1 1 1 11  10  29 o 248.5970 15.82847 1528.207       187.1465 1782.960       250.5593 1206.750       281.4575 266.1311 19.83541 213.1494 28.31987 52.98164       34.57541 
1 1 1 11  10  30 o 115.4774 25.80558 360.2923       138.8775 349.1606       178.0043 377.6085       222.0120 111.1227 31.85950 113.9626 36.23549 -2.839935      48.24975 
1 1 1 11  10  31 o 57.27922 25.98743 -53.80211      154.1995 -96.09681      171.0624 129.5504       356.1681 57.29270 26.50007 94.85683 41.45393 -37.56413      49.20043 
1 1 1 11  10  32 o 38.30069 19.21194 -404.8500      152.5370 -379.4805      167.2713 -530.1190      371.6957 42.09474 20.96116 67.21508 33.05992 -25.12034      39.14497 
1 1 1 11  10  33 o 59.96869 26.98195 -29.07844      162.2145 -68.88852      179.6956 146.1848       377.0390 59.88641 27.50446 94.02470 41.80066 -34.13829      50.03789 
1 1 1 11  10  34 o 49.91385 24.87200 -475.2817      237.2219 -714.5946      304.9444 -108.4978      377.5223 52.89244 26.61636 78.57431 37.28629 -25.68187      45.81154 
1 1 1 11  10  35 o 195.6836 21.92543 1048.345       201.5984 616.5871       237.8786 2148.893       379.7867 134.5539 36.19360 266.3338 30.36868 -131.7799      47.24652 
1 1 1 11  10  36 f 67.12701 29.00701 75.30746       170.3598 132.5311       196.7167 -96.34866      340.7086 74.69386 31.69477 72.05231 34.52896 2.641548       46.87011 
1 1 1 11  10  37 o 56.92807 27.76207 -205.8219      245.6575 -153.5694      333.2263 -268.0271      363.5792 66.45813 32.39282 65.14538 32.16647 1.312752       45.65060 
1 1 1 11  11  0  o 137.0664 9.291162 452.5902       60.52502 530.8029       84.47768 370.0973       86.75848 148.1349 12.03173 123.0151 15.06593 25.11986       19.28069 
1 1 1 11  11  1  o 505.2735 8.965546 6120.645       216.5766 6236.981       252.9350 5800.986       419.2711 509.8007 10.37768 489.4478 17.94801 20.35297       20.73228 
1 1 1 11  11  2  f 168.0337 8.295467 678.2267       66.43561 794.1843       114.1153 618.7745       81.71057 181.2344 13.26208 160.2090 10.72987 21.02547       17.05910 
1 1 1 11  11  3  o 177.9193 10.09797 761.7996       85.54189 0.000000       0.000000 761.7996       85.54189 ?        ?        177.9193 10.09797 0.000000       10.09797 
1 1 1 11  11  4  o 275.4468 9.092731 1820.783       119.5762 0.000000       0.000000 1820.783       119.5762 ?        ?        275.4468 9.092731 0.000000       9.092731 
1 1 1 11  11  5  o 379.6266 10.81633 3461.685       196.1110 0.000000       0.000000 3461.685       196.1110 ?        ?        379.6266 10.81633 0.000000       10.81633 
1 1 1 11  11  6  o 395.2833 9.427403 3746.585       178.1595 0.000000       0.000000 3746.585       178.1595 ?        ?        395.2833 9.427403 0.000000       9.427403 
1 1 1 11  11  7  o 296.3937 11.31048 2112.513       159.9781 0.000000       0.000000 2112.513       159.9781 ?        ?        296.3937 11.31048 0.000000       11.31048 
1 1 1 11  11  8  o 141.3317 10.74134 482.2102       72.03468 0.000000       0.000000 482.2102       72.03468 ?        ?        141.3317 10.74134 0.000000       10.74134 
1 1 1 11  11  9  o 407.9242 8.404380 3988.305       163.9055 0.000000       0.000000 3988.305       163.9055 ?        ?        407.9242 8.404380 0.000000       8.404380 
1 1 1 11  11  10 o 192.5954 9.179889 891.6087       84.28296 927.3338       138.8302 870.7563       106.0657 195.5492 14.96342 189.9902 11.73437 5.559036       19.01576 
1 1 1 11  11  11 o 348.1540 9.003995 2909.014       149.7443 3130.661       200.6137 2630.149       225.0229 360.7075 11.64841 330.0262 14.29556 30.68130       18.44041 
1 1 1 11  11  12 o 372.1321 14.94320 3347.387       265.3170 3480.989       369.4470 3205.104       381.2617 377.6602 20.53904 361.7321 22.15213 15.92819       30.20876 
1 1 1 11  11  13 o 269.9598 12.37387 1757.891       159.2783 1625.754       214.4706 1920.401       237.8456 258.4312 17.46110 280.8725 17.80403 -22.44135      24.93740 
1 1 1 11  11  14 o 178.4142 16.81890 777.8759       141.7689 971.0912       184.9324 502.4939       220.7801 198.7691 19.72032 138.6130 33.65678 60.15614       39.00858 
1 1 1 11  11  15 o 211.4795 13.62930 1083.757       137.0666 1273.228       197.5956 908.0319       190.2933 228.1239 18.27011 191.6125 21.12269 36.51135       27.92785 
1 1 1 11  11  16 o 75.72595 20.01949 145.1566       73.56802 132.8401       89.36743 171.0510       129.5807 73.56533 22.93606 84.19643 27.75801 -10.63110      36.00791 
1 1 1 11  11  17 o 285.5497 13.41766 1974.630       182.6631 2068.875       249.0194 1864.853       268.7574 290.8199 17.99841 275.0817 20.58502 15.73816       27.34385 
1 1 1 11  11  18 o 239.3959 14.22632 1392.810       162.0894 1706.320       210.5777 936.9816       253.9147 264.2523 16.75433 191.1441 28.66865 73.10828       33.20541 
1 1 1 11  11  19 o 156.1880 15.78447 598.9907       116.2496 742.1853       150.4693 386.9696       183.0940 173.2461 18.45021 120.9002 31.39995 52.34589       36.41932 
1 1 1 11  11  20 o 127.4745 18.68993 406.1173       110.5221 671.3952       141.8130 -4.279386      176.3874 164.6317 18.32785 67.91466 29.43134 96.71709       34.67152 
1 1 1 11  11  21 o 231.3268 14.44926 1304.513       159.0031 1454.973       210.9801 1106.707       241.9083 242.9668 18.29739 209.0896 24.67440 33.87724       30.71840 
1 1 1 11  11  22 f 286.2136 14.16292 1994.799       193.1970 2135.181       257.2596 1813.224       292.5789 294.3220 18.37437 268.8386 22.98397 25.48340       29.42585 
1 1 1 11  11  23 o 71.54668 28.28608 83.91954       143.1882 82.20564       219.6574 85.18601       188.8204 82.36499 34.11742 78.45235 31.96849 3.912636       46.75450 
1 1 1 11  11  24 o 119.1570 33.00172 386.1444       194.4458 494.3157       238.6964 172.7611       335.2509 133.4069 36.41374 102.1367 42.21336 31.27020       55.74879 
1 1 1 11  11  25 o 57.03095 25.99232 -77.48919      156.4512 55.59468       243.3170 -171.2943      204.2787 82.38988 35.11518 60.04250 28.16402 22.34739       45.01431 
1 1 1 11  11  26 o 202.4348 16.92369 1016.076       162.2930 1076.669       210.0934 926.4169       255.5637 206.1435 21.63964 186.5994 29.63685 19.54410       36.69628 
1 1 1 11  11  27 o 157.4516 23.33003 639.5668       170.3127 670.7512       193.0940 530.3073       361.4350 159.8745 26.16722 133.1642 46.33764 26.71024       53.21560 
1 1 1 11  11  28 o 77.06956 28.13755 136.2189       134.8421 289.2835       173.7337 -95.68472      213.8457 103.0570 31.95531 65.95544 30.18450 37.10160       43.95732 
1 1 1 11  11  29 o 71.10415 27.87412 95.30093       138.0155 -28.38483      180.7849 268.0924       213.6798 64.92085 28.89837 100.1950 35.56680 -35.27419      45.82699 
1 1 1 11  11  30 o 177.4799 20.21357 807.8026       168.4612 748.8760       230.6227 875.2129       246.6658 164.0842 30.52166 178.0340 30.04843 -13.94987      42.83083 
1 1 1 11  11  31 o 90.46886 36.27015 189.9575       238.6659 154.8957       314.3188 237.6967       366.7679 92.92634 39.76660 101.9622 43.27201 -9.035858      58.76946 
1 1 1 11  11  32 o 43.37240 21.23166 -248.4794      147.7048 -363.8879      161.6963 333.1442       362.9962 41.49474 20.65367 107.2739 44.08887 -65.77916      48.68678 
1 1 1 11  11  33 o 63.49432 28.43208 -11.81166      177.7586 -445.7036      303.0717 215.7268       219.4734 60.34752 29.71535 89.42434 35.12203 -29.07682      46.00607 
1 1 1 11  11  34 o 113.6508 28.27846 384.9454       153.0292 323.4842       198.2825 475.4787       240.6510 99.90208 34.34245 117.0676 37.77753 -17.16550      51.05434 
1 1 1 11  11  35 o 122.2293 27.90866 450.7063       159.4928 469.7509       206.1635 422.3182       251.7062 117.8042 34.44090 106.7179 38.51758 11.08621       51.66991 
1 1 1 11  11  36 o 116.9290 34.19941 483.0550       203.2453 517.9739       333.3396 462.3915       256.4242 105.8170 42.70997 106.9482 38.83846 -1.131218      57.72839 
1 1 1 11  11  37 o 54.15198 24.78004 -10.78155      144.0739 -0.9203052E-05 198.8699 -22.69068      209.0107 61.42656 28.46822 61.03920 28.58558 0.3873634      40.34321 
1 1 1 11  12  0  o 212.1191 8.873650 1081.013       89.79047 1101.039       112.7462 1046.287       148.4686 213.7815 11.06891 207.6908 15.05452 6.090698       18.68581 
1 1 1 11  12  1  o 44.08171 14.14002 45.68312       33.74934 53.23532       41.48634 30.90538       58.03265 47.91700 15.70151 46.17234 18.08237 1.744663       23.94806 
1 1 1 11  12  2  o 60.33750 12.52730 90.79466       34.95345 85.04261       44.03193 100.5951       57.47485 58.34329 15.51754 63.63695 18.05754 -5.293659      23.80901 
1 1 1 11  12  3  o 164.8288 10.60841 655.0147       83.15330 0.000000       0.000000 655.0147       83.15330 ?        ?        164.8288 10.60841 0.000000       10.60841 
1 1 1 11  12  4  o 103.0824 11.15575 258.1927       54.10332 0.000000       0.000000 258.1927       54.10332 ?        ?        103.0824 11.15575 0.000000       11.15575 
1 1 1 11  12  5  o 199.8803 9.413392 960.4780       89.70210 0.000000       0.000000 960.4780       89.70210 ?        ?        199.8803 9.413392 0.000000       9.413392 
1 1 1 11  12  6  o 172.8500 11.24489 720.7772       92.42068 0.000000       0.000000 720.7772       92.42068 ?        ?        172.8500 11.24489 0.000000       11.24489 
1 1 1 11  12  7  f 114.1321 11.24060 315.9525       60.53945 0.000000       0.000000 315.9525       60.53945 ?        ?        114.1321 11.24060 0.000000       11.24060 
1 1 1 11  12  8  o 390.6797 14.48674 3685.096       270.1139 0.000000       0.000000 3685.096       270.1139 ?        ?        390.6797 14.48674 0.000000       14.48674 
1 1 1 11  12  9  o 409.6445 9.487290 4026.727       185.8051 0.000000       0.000000 4026.727       185.8051 ?        ?        409.6445 9.487290 0.000000       9.487290 
1 1 1 11  12  10 o 212.7437 10.33987 1089.541       104.8522 0.000000       0.000000 1089.541       104.8522 ?        ?        212.7437 10.33987 0.000000       10.33987 
1 1 1 11  12  11 o 307.5981 8.262518 2270.470       121.3979 2263.148       268.1621 2272.357       136.1479 304.7744 18.49093 307.5737 9.269354 -2.799286      20.68418 
1 1 1 11  12  12 o 138.9007 12.47825 468.3053       81.98190 447.0111       104.3817 502.5893       132.4462 134.8974 16.53003 142.3262 20.01699 -7.428726      25.96000 
1 1 1 11  12  13 o 451.9738 16.82569 4960.167       362.9406 4863.393       508.5629 5060.614       518.1215 443.9677 24.04968 452.9247 24.01331 -8.956909      33.98567 
1 1 1 11  12  14 o 267.9950 13.19405 1737.122       168.5296 2017.415       229.5177 1409.190       248.2574 287.8616 16.74958 238.7561 21.99609 49.10547       27.64736 
1 1 1 11  12  15 o 199.6387 13.97766 968.0443       132.5668 868.3217       192.1727 1058.584       183.1111 186.8364 21.93108 207.5723 18.65034 -20.73595      28.78901 
1 1 1 11  12  16 o 321.5671 14.21501 2507.478       217.9980 2750.110       303.3690 2248.419       313.4704 334.9461 19.02292 301.5213 21.89471 33.42484       29.00430 
1 1 1 11  12  17 o 144.9493 13.59276 512.6539       93.09695 369.8439       117.3413 755.2556       152.9391 121.0286 21.04290 174.8498 18.57965 -53.82118      28.07146 
1 1 1 11  12  18 o 156.1939 13.64224 595.0920       100.8514 618.5586       128.9463 558.1230       161.8468 158.3239 17.31761 148.3155 23.61607 10.00838       29.28513 
1 1 1 11  12  19 o 169.9613 14.95577 706.9457       120.2872 669.8475       138.5279 820.6459       242.5166 164.5821 17.89308 177.7541 29.57617 -13.17198      34.56750 
1 1 1 11  12  20 o 451.5858 17.72330 4998.802       381.8995 5344.171       533.3538 4635.423       547.0828 462.0323 24.23010 428.0118 26.87114 34.02048       36.18226 
1 1 1 11  12  21 o 130.2002 18.81651 424.5413       113.7343 372.2448       143.8424 511.7713       185.7734 119.5233 25.92036 139.5294 28.80399 -20.00610      38.74965 
1 1 1 11  12  22 o 102.7242 32.31540 276.6335       176.9986 443.7958       218.4451 -42.89230      302.0132 127.5242 34.84575 83.74010 37.30859 43.78414       51.05054 
1 1 1 11  12  23 o 106.7478 28.28991 302.5222       146.6794 292.7758       226.5291 309.5588       192.4778 106.4061 36.70203 107.7138 33.67223 -1.307777      49.80822 
1 1 1 11  12  24 o 88.87874 33.17265 177.9427       189.2099 182.2392       230.6823 169.1098       330.7574 93.16901 36.17607 100.9638 41.84756 -7.794830      55.31660 
1 1 1 11  12  25 o 78.61747 26.76640 151.5729       120.3838 228.7753       147.8978 0.5847892E-04  207.2322 93.38902 29.56083 72.41637 31.63429 20.97266       43.29632 
1 1 1 11  12  26 f 156.6111 19.55910 619.2584       143.2630 683.4127       180.2821 509.3239       235.9971 162.6197 23.90096 134.1340 36.03685 28.48563       43.24245 
1 1 1 11  12  27 o 89.25655 27.95926 209.1575       132.6357 123.3687       163.8718 372.1096       225.8493 78.61948 30.50062 115.2187 36.53690 -36.59921      47.59446 
1 1 1 11  12  28 o 56.17149 24.84528 -22.53485      131.5312 -238.2798      162.7353 383.9504       223.3746 47.76270 23.13071 116.1592 36.26852 -68.39655      43.01669 
1 1 1 11  12  29 o 231.8566 19.61171 1364.332       215.3548 944.6968       322.0864 1703.612       289.6109 178.0944 38.91793 255.7145 23.96861 -77.62013      45.70667 
1 1 1 11  12  30 f 70.27464 29.36735 64.50137       164.8278 137.8077       183.6687 -238.8202      373.6079 80.74438 31.99992 77.93632 37.01501 2.808067       48.92960 
1 1 1 11  12  31 o 79.85458 31.12100 145.2739       171.2126 168.0323       257.9704 127.3570       228.8917 89.29304 36.97897 83.22778 34.68047 6.065254       50.69693 
1 1 1 11  12  32 o 90.56545 27.77505 231.2266       131.6850 382.9820       161.5885 -68.84305      227.2215 115.2349 29.27662 67.17011 30.87860 48.06478       42.55125 
1 1 1 11  12  33 o 117.3168 31.61828 421.9841       181.3249 435.9870       280.3592 411.9147       237.7426 111.4848 40.59224 110.8926 37.61683 0.5922470      55.34217 
1 1 1 11  12  34 o 76.59379 28.72519 162.5856       142.2257 9.863417       179.2045 422.4932       233.7800 63.61023 28.51090 109.2875 37.29823 -45.67722      46.94709 
1 1 1 11  12  35 o 81.56652 32.63383 197.4875       192.7993 453.9948       311.3117 37.89184       245.5591 104.8438 41.62558 71.52995 32.58619 33.31388       52.86349 
1 1 1 11  12  36 o 74.86508 29.20599 170.9676       150.9123 151.3721       188.3209 206.1346       252.2831 73.87251 31.16239 80.55909 35.05202 -6.686577      46.90137 
1 1 1 11  12  37 o 33.30313 16.98524 -541.1647      154.7729 -772.6261      192.2498 -114.8335      260.9157 ?        ?        60.68164 29.36349 0.000000       29.36349 
1 1 1 11  13  0  o 293.0116 12.21026 2070.722       170.6732 2074.937       240.7547 2066.464       241.9867 292.0056 17.32333 291.3687 17.45159 0.6369324      24.58975 
1 1 1 11  13  1  o 404.8671 8.610249 3932.105       166.6620 3744.004       402.3145 3971.072       183.1129 390.9016 21.61142 406.7288 9.416852 -15.82715      23.57394 
1 1 1 11  13  2  o 283.8472 8.048158 1933.283       109.1066 1980.824       226.8214 1918.971       124.4504 285.5557 16.68713 282.6261 9.222686 2.929565       19.06615 
1 1 1 11  13  3  o 357.0480 9.319622 3061.572       158.9505 0.000000       0.000000 3061.572       158.9505 ?        ?        357.0480 9.319622 0.000000       9.319622 
1 1 1 11  13  4  o 170.8119 10.36560 703.3908       84.25042 0.000000       0.000000 703.3908       84.25042 ?        ?        170.8119 10.36560 0.000000       10.36560 
1 1 1 11  13  5  o 268.3999 11.88983 1736.417       152.1904 0.000000       0.000000 1736.417       152.1904 ?        ?        268.3999 11.88983 0.000000       11.88983 
1 1 1 11  13  6  o 216.1809 11.48801 1127.002       118.3064 0.000000       0.000000 1127.002       118.3064 ?        ?        216.1809 11.48801 0.000000       11.48801 
1 1 1 11  13  7  o 169.5300 10.63251 693.2902       85.74294 0.000000       0.000000 693.2902       85.74294 ?        ?        169.5300 10.63251 0.000000       10.63251 
1 1 1 11  13  8  o 325.0156 13.74287 2552.137       213.0634 0.000000       0.000000 2552.137       213.0634 ?        ?        325.0156 13.74287 0.000000       13.74287 
1 1 1 11  13  9  o 503.9110 11.70871 6110.470       282.0793 0.000000       0.000000 6110.470       282.0793 ?        ?        503.9110 11.70871 0.000000       11.70871 
1 1 1 11  13  10 o 104.9033 13.07989 269.3179       64.17848 0.000000       0.000000 269.3179       64.17848 ?        ?        104.9033 13.07989 0.000000       13.07989 
1 1 1 11  13  11 o 250.0968 10.57895 1506.607       126.2052 1510.927       211.4702 1504.217       157.2864 248.7146 17.90423 249.3643 13.24061 -0.6497955     22.26825 
1 1 1 11  13  12 o 439.4806 8.603359 4635.792       180.7657 4644.898       251.8632 4626.117       259.5949 438.9066 12.01414 437.8908 12.41253 1.015839       17.27457 
1 1 1 11  13  13 f 78.62865 24.32645 153.1346       100.7473 168.5788       121.1315 118.4751       181.4619 83.05182 26.80218 82.42207 32.06237 0.6297455      41.78938 
1 1 1 11  13  14 o 269.9279 12.42662 1761.735       159.9346 1687.706       219.5688 1845.406       233.4305 262.6873 17.58457 274.6335 17.87566 -11.94626      25.07501 
1 1 1 11  13  15 o 414.5595 12.86335 4155.891       254.6380 4569.425       465.8783 3979.719       304.0783 429.5485 22.76699 404.5091 15.75360 25.03937       27.68596 
1 1 1 11  13  16 o 400.7044 10.44426 3869.165       199.9124 4323.871       270.4576 3321.515       296.8148 422.5281 13.40557 368.8484 16.87647 53.67966       21.55283 
1 1 1 11  13  17 o 269.3995 13.58792 1761.829       174.4430 2035.487       241.2554 1461.996       252.5298 288.1649 17.59555 242.2795 22.04264 45.88539       28.20428 
1 1 1 11  13  18 o 78.67273 25.22663 152.8651       107.4266 323.6992       172.2683 44.15766       137.4193 110.7425 31.20716 65.82556 27.09813 44.91691       41.33032 
1 1 1 11  13  19 o 344.7665 14.66285 2893.021       241.1343 2937.029       332.1595 2843.986       350.6197 344.6213 20.24950 338.2079 21.80035 6.413391       29.75395 
1 1 1 11  13  20 o 119.9878 18.66195 361.4417       103.5753 318.9450       113.8699 565.1033       249.2790 111.5447 22.13409 143.6439 36.29144 -32.09922      42.50867 
1 1 1 11  13  21 o 249.6468 14.11170 1519.725       167.7419 1718.363       219.0724 1238.231       260.7896 264.1693 17.44353 220.5020 25.18968 43.66737       30.63979 
1 1 1 11  13  22 o 120.6288 25.96746 381.3906       145.3209 385.3430       221.1307 378.3860       192.7996 118.7543 35.90734 118.1247 32.91678 0.6296539      48.71193 
1 1 1 11  13  23 o 94.29215 29.50745 232.4239       147.7687 272.2762       227.6800 203.4198       194.2352 103.4205 36.71330 92.59785 33.77611 10.82267       49.88680 
1 1 1 11  13  24 f 81.34693 29.80939 150.6197       151.5539 294.3432       233.2343 45.58739       199.3838 105.9485 37.19849 75.29404 31.92747 30.65443       49.02133 
1 1 1 11  13  25 o 98.87008 31.00101 261.2544       163.0248 446.3970       246.7679 117.8705       217.1629 125.2257 37.94614 84.42598 34.32819 40.79971       51.16966 
1 1 1 11  13  26 o 181.0317 20.24035 828.1208       172.1840 811.4022       192.5611 894.8099       384.5877 177.7031 23.22043 170.7854 46.05581 6.917694       51.57835 
1 1 1 11  13  27 o 65.07845 26.35142 61.09115       127.3497 -6.908257      154.0585 207.8177       226.3016 62.26942 27.23695 94.26264 36.03125 -31.99323      45.16749 
1 1 1 11  13  28 o 125.3981 25.27735 420.4044       146.3016 469.2802       183.2439 334.4730       242.9734 130.0718 30.06878 108.6679 37.98088 21.40390       48.44253 
1 1 1 11  13  29 o 141.0273 36.07225 590.6887       244.1580 639.3683       303.5658 501.5050       410.8861 142.0494 41.86383 124.3102 48.27721 17.73921       63.90047 
1 1 1 11  13  30 o 83.58215 29.17362 184.6540       143.3256 92.91387       179.4584 346.2362       238.1665 74.83155 30.90234 107.5956 37.60350 -32.76401      48.67214 
1 1 1 11  13  31 o 48.51850 22.41598 -72.51315      121.8859 47.79260       144.3208 -371.7740      227.6201 64.68578 27.28320 52.88525 25.98375 11.80053       37.67663 
1 1 1 11  13  32 o 100.5152 27.48685 291.6824       135.8621 191.6011       164.7993 504.0143       240.0416 83.78373 31.01830 124.1852 37.38110 -40.40150      48.57449 
1 1 1 11  13  33 o 91.21482 29.75316 252.6790       149.0458 302.6403       161.1489 -42.94746      391.9963 98.69554 30.80380 80.84792 38.25584 17.84763       49.11602 
1 1 1 11  13  34 o 55.37975 25.28468 -31.79599      148.8960 -116.3171      160.7301 479.6008       395.3609 51.47234 24.39730 104.9928 44.75555 -53.52047      50.97340 
1 1 1 11  13  35 o 49.91459 24.79882 -375.9706      228.8396 -764.5052      278.4354 432.7606       401.7091 46.85966 23.78984 97.01625 43.13763 -50.15659      49.26268 
1 1 1 11  13  36 o 63.28322 26.83978 88.58587       140.9499 180.5043       170.1078 -112.7561      251.7619 75.12734 30.44280 60.68391 29.23534 14.44343       42.20746 
1 1 1 11  14  0  o 177.7733 8.914618 760.6868       75.52482 784.2497       98.01509 726.2505       118.4911 180.1178 11.44139 172.7110 14.48345 7.406784       18.45741 
1 1 1 11  14  1  f 136.3647 7.967485 447.5601       51.71728 584.9248       81.39659 354.5630       66.97354 155.5287 11.01813 120.7770 11.74697 34.75176       16.10560 
1 1 1 11  14  2  o 354.5380 8.323376 3015.934       141.0817 2883.150       175.0276 3262.232       238.3772 346.0886 10.59064 367.3495 13.59650 -21.26083      17.23445 
1 1 1 11  14  3  o 277.9737 12.09331 1864.906       160.3308 0.000000       0.000000 1864.906       160.3308 ?        ?        277.9737 12.09331 0.000000       12.09331 
1 1 1 11  14  4  o 62.75417 13.76405 98.73093       40.15622 0.000000       0.000000 98.73093       40.15622 ?        ?        62.75417 13.76405 0.000000       13.76405 
1 1 1 11  14  5  o 194.3887 10.50613 911.1640       97.27592 0.000000       0.000000 911.1640       97.27592 ?        ?        194.3887 10.50613 0.000000       10.50613 
1 1 1 11  14  6  o 127.4895 10.66083 393.5642       64.38474 0.000000       0.000000 393.5642       64.38474 ?        ?        127.4895 10.66083 0.000000       10.66083 
1 1 1 11  14  7  o 104.2513 11.16910 264.4816       54.80160 0.000000       0.000000 264.4816       54.80160 ?        ?        104.2513 11.16910 0.000000       11.16910 
1 1 1 11  14  8  o 220.8836 11.24879 1177.393       118.3982 0.000000       0.000000 1177.393       118.3982 ?        ?        220.8836 11.24879 0.000000       11.24879 
1 1 1 11  14  9  o 211.7716 11.21055 1082.606       113.0975 0.000000       0.000000 1082.606       113.0975 ?        ?        211.7716 11.21055 0.000000       11.21055 
1 1 1 11  14  10 o 67.38064 14.42113 113.9448       45.05322 0.000000       0.000000 113.9448       45.05322 ?        ?        67.38064 14.42113 0.000000       14.42113 
1 1 1 11  14  11 o 381.2114 9.565969 3495.158       174.2047 0.000000       0.000000 3495.158       174.2047 ?        ?        381.2114 9.565969 0.000000       9.565969 
1 1 1 11  14  12 o 216.9101 8.914437 1132.166       92.24773 1244.574       169.1410 1084.574       110.0568 225.9068 15.75953 211.9464 10.89791 13.96046       19.16056 
1 1 1 11  14  13 o 294.8072 10.05658 2093.597       141.5339 2400.807       256.7966 1959.560       169.6226 313.4690 17.20101 284.6060 12.49659 28.86301       21.26122 
1 1 1 11  14  14 f 341.1479 10.03445 2803.313       163.4829 2957.778       209.8381 2564.755       260.7753 349.6788 12.57228 324.0352 16.89149 25.64365       21.05671 
1 1 1 11  14  15 o 48.52034 19.15255 33.60159       65.55352 78.89600       77.59704 -79.29745      122.5090 60.33178 21.43144 49.63895 22.76546 10.69284       31.26616 
1 1 1 11  14  16 o 272.8772 13.31686 1806.814       173.2063 1945.958       234.3103 1639.175       257.1862 281.7261 17.48240 256.9845 21.11923 24.74161       27.41635 
1 1 1 11  14  17 o 126.8311 16.88881 399.0907       99.86485 322.7231       130.7620 505.9731       154.6963 111.5649 25.12223 140.8475 23.82173 -29.28253      34.62082 
1 1 1 11  14  18 o 371.1348 11.35346 3328.807       201.2135 3436.661       267.5711 3188.432       305.2562 375.6261 14.92936 360.3878 17.77164 15.23825       23.21027 
1 1 1 11  14  19 o 142.3672 16.38281 501.2440       109.4778 567.1372       146.2433 417.2429       165.1194 150.0582 20.95558 125.8637 28.14702 24.19446       35.09118 
1 1 1 11  14  20 o 123.2611 16.75344 378.2000       96.17440 432.1964       118.9467 276.2488       163.4431 131.0251 19.58883 102.3827 30.85156 28.64245       36.54506 
1 1 1 11  14  21 o 83.45819 28.96861 167.9040       141.2159 295.9545       167.3351 -148.9515      263.2249 105.3282 31.09234 71.48267 32.99573 33.84553       45.33709 
1 1 1 11  14  22 o 232.8702 14.31395 1327.161       158.5908 1238.160       203.7946 1463.808       252.5213 222.7767 19.32537 240.8118 22.18283 -18.03511      29.42019 
1 1 1 11  14  23 o 80.95783 28.84334 154.9710       140.6473 83.30270       204.1737 219.6916       194.0249 79.60803 32.92654 94.36854 33.84807 -14.76051      47.22128 
1 1 1 11  14  24 o 60.56144 26.76946 -24.62601      152.4521 149.6583       231.6655 -157.7517      202.4712 89.22610 35.74712 60.29040 28.20246 28.93570       45.53280 
1 1 1 11  14  25 f 152.1282 24.12861 600.6102       169.6386 484.0281       251.2802 698.2375       229.9472 129.8983 38.03601 160.4157 31.10575 -30.51736      49.13559 
1 1 1 11  14  26 o 334.3994 16.10412 2762.147       256.7039 2809.193       344.1750 2703.163       385.3771 332.8843 21.74511 323.4762 25.11592 9.408112       33.22137 
1 1 1 11  14  27 o 143.6901 25.39584 548.5790       168.0813 503.6609       185.9193 749.5385       393.2498 135.2392 29.58029 150.7119 48.25944 -15.47276      56.60360 
1 1 1 11  14  28 o 40.01479 19.68712 -252.1831      132.1239 -247.5016      158.1046 -263.0212      240.5641 45.94469 22.37603 60.10313 28.85816 -14.15844      36.51685 
1 1 1 11  14  29 o 238.0784 18.75882 1442.594       211.7940 1243.591       302.1839 1634.735       296.9290 210.5362 30.94432 247.4306 25.46414 -36.89433      40.07460 
1 1 1 11  14  30 f 159.3535 20.72240 662.4690       154.1381 598.0291       195.8112 767.4507       249.9291 145.6237 29.14327 161.7407 33.42701 -16.11697      44.34743 
1 1 1 11  14  31 o 124.6916 30.11068 455.9796       177.4559 386.2356       195.7443 777.7677       420.4564 112.0189 33.76445 139.0635 49.83333 -27.04458      60.19468 
1 1 1 11  14  32 o 81.88766 32.55040 177.7507       190.5839 161.5732       306.8151 187.9145       243.1919 86.86140 38.20185 85.59647 35.71361 1.264931       52.29573 
1 1 1 11  14  33 o 56.89045 25.73860 -17.67847      149.9864 -100.5431      189.3092 122.0388       245.8172 57.17947 26.91236 78.41796 34.35006 -21.23849      43.63716 
1 1 1 11  14  34 o 64.86472 29.10325 29.97059       187.2572 -63.88430      298.4804 90.88735       240.4672 69.96680 33.18783 74.08617 33.12970 -4.119370      46.89360 
1 1 1 11  14  35 o 86.63528 29.03940 251.2208       141.6873 296.0296       172.9931 159.9084       246.9517 90.86873 32.02552 76.31104 33.88308 14.55769       46.62292 
1 1 1 11  15  0  o 184.5862 8.401591 819.6310       73.94842 729.0413       122.2514 871.9023       92.86378 172.8530 14.93994 190.1062 10.25540 -17.25323      18.12112 
1 1 1 11  15  1  o 346.1710 11.04214 2888.524       182.5141 2797.318       312.8159 2935.597       224.7309 337.7235 19.45635 348.2648 13.52293 -10.54135      23.69428 
1 1 1 11  15  2  o 140.8477 11.50350 481.0971       76.78778 0.000000       0.000000 481.0971       76.78778 ?        ?        140.8477 11.50350 0.000000       11.50350 
1 1 1 11  15  3  f 179.5783 10.99235 779.3282       93.92191 0.000000       0.000000 779.3282       93.92191 ?        ?        179.5783 10.99235 0.000000       10.99235 
1 1 1 11  15  4  o 251.7298 9.238418 1524.577       110.9950 0.000000       0.000000 1524.577       110.9950 ?        ?        251.7298 9.238418 0.000000       9.238418 
1 1 1 11  15  5  o 128.3914 11.01338 399.7829       66.95037 0.000000       0.000000 399.7829       66.95037 ?        ?        128.3914 11.01338 0.000000       11.01338 
1 1 1 11  15  6  f 213.6642 9.545406 1099.499       97.26054 0.000000       0.000000 1099.499       97.26054 ?        ?        213.6642 9.545406 0.000000       9.545406 
1 1 1 11  15  7  o 195.3466 12.05066 923.7524       111.9969 0.000000       0.000000 923.7524       111.9969 ?        ?        195.3466 12.05066 0.000000       12.05066 
1 1 1 11  15  8  f 309.4519 11.34054 2310.522       167.4943 0.000000       0.000000 2310.522       167.4943 ?        ?        309.4519 11.34054 0.000000       11.34054 
1 1 1 11  15  9  f 288.9087 12.51110 2018.816       172.3987 0.000000       0.000000 2018.816       172.3987 ?        ?        288.9087 12.51110 0.000000       12.51110 
1 1 1 11  15  10 o 210.8796 9.614108 1071.592       96.67364 0.000000       0.000000 1071.592       96.67364 ?        ?        210.8796 9.614108 0.000000       9.614108 
1 1 1 11  15  11 o 35.43472 15.87251 -23.78361      55.44870 0.000000       0.000000 -23.78361      55.44870 ?        ?        35.43472 15.87251 0.000000       15.87251 
1 1 1 11  15  12 o 204.8888 11.55870 1015.716       112.7641 0.000000       0.000000 1015.716       112.7641 ?        ?        204.8888 11.55870 0.000000       11.55870 
1 1 1 11  15  13 o 148.6365 10.00728 534.1545       70.69868 418.2010       139.2136 574.4525       82.06944 127.9843 23.62186 153.9470 11.22789 -25.96272      26.15450 
1 1 1 11  15  14 o 155.7055 10.12983 586.2056       74.99814 507.8982       123.0897 632.4412       94.58209 142.9451 18.44043 161.3206 12.35747 -18.37547      22.19812 
1 1 1 11  15  15 o 213.7389 12.39822 1108.067       126.1488 1192.438       165.3039 990.4150       195.2037 220.7918 15.76371 199.4115 20.77976 21.38028       26.08243 
1 1 1 11  15  16 o 202.6265 12.71055 997.4738       122.5112 986.4526       158.8120 1013.672       192.5300 200.3297 16.73446 201.8424 20.22372 -1.512680      26.24959 
1 1 1 11  15  17 o 113.8357 20.28531 328.6921       106.3512 319.6516       146.6458 338.7225       154.4653 110.1758 27.83505 113.2479 28.54344 -3.072067      39.86876 
1 1 1 11  15  18 o 125.8376 20.44905 400.6996       118.8049 417.8520       135.3204 343.0159       248.1575 127.6911 23.01271 114.0375 38.43297 13.65366       44.79596 
1 1 1 11  15  19 o 223.1229 13.97758 1215.333       148.3533 1285.729       200.9001 1130.911       220.0059 227.7250 18.61504 211.9629 22.03136 15.76208       28.84268 
1 1 1 11  15  20 o 301.0273 14.49702 2214.128       208.0245 2376.816       285.8106 2030.855       303.3549 309.2915 19.42680 283.9528 22.53040 25.33868       29.74928 
1 1 1 11  15  21 o 125.2238 22.76155 404.6433       131.2510 372.5017       199.1283 429.3342       174.5289 116.5204 33.78601 126.3965 29.43297 -9.876083      44.80841 
1 1 1 11  15  22 o 179.0052 16.77379 794.8974       141.8786 691.0309       193.8900 914.6186       208.1628 162.8545 25.75851 188.9650 23.55141 -26.11050      34.90229 
1 1 1 11  15  23 o 290.9561 12.85181 2063.741       178.3312 2123.527       231.6001 1976.672       279.4948 293.2715 16.58572 280.2394 21.01409 13.03201       26.77084 
1 1 1 11  15  24 o 277.5871 13.89847 1886.489       183.8615 1689.420       228.2930 2250.280       310.1759 260.3036 18.46427 298.1659 21.91218 -37.86227      28.65437 
1 1 1 11  15  25 o 168.3453 21.43998 724.6807       168.6476 213.4762       231.5821 1301.922       246.0856 95.21936 36.43626 225.1591 23.19200 -129.9398      43.19108 
1 1 1 11  15  26 o 92.92580 32.22892 228.8953       174.7750 111.4245       269.0292 314.6772       229.8966 87.72775 37.13827 105.9708 36.95094 -18.24310      52.38915 
1 1 1 11  15  27 o 113.7543 26.28203 353.3173       140.0603 323.4497       171.3542 413.4390       243.1142 106.7333 31.45210 117.3971 37.97774 -10.66382      49.31068 
1 1 1 11  15  28 o 196.2316 17.97203 977.1946       166.7363 951.8965       208.3324 1022.275       278.1026 189.9277 23.44038 189.9614 31.74096 -0.3373718E-01 39.45808 
1 1 1 11  15  29 o 61.16791 26.16181 27.54805       135.9067 -139.1645      167.2295 351.8520       233.2410 53.31883 25.15630 107.6941 37.23743 -54.37527      44.93846 
1 1 1 11  15  30 o 73.72702 30.84628 91.61842       182.1676 -49.95982      284.9720 189.4503       236.8887 74.78327 34.45184 87.99271 35.82547 -13.20944      49.70305 
1 1 1 11  15  31 o 74.67089 28.64798 141.6558       143.4124 201.4407       179.5284 36.23105       238.4012 84.45090 32.13790 73.43236 32.90108 11.01855       45.99266 
1 1 1 11  15  32 o 131.5301 32.36697 552.5895       202.1269 155.0189       298.9069 887.5628       274.3682 83.97665 37.28255 163.1946 36.12156 -79.21797      51.91104 
1 1 1 11  15  33 o 62.05613 27.37767 33.67059       158.7313 -19.27000      171.1105 360.3472       425.0511 59.33318 27.09564 95.85287 43.35120 -36.51970      51.12241 
1 1 1 11  15  34 o 43.42565 21.24407 -199.1697      147.1686 -161.9683      181.7746 -269.9510      250.7336 50.95049 24.61919 55.43851 27.24479 -4.488018      36.72033 
1 1 1 11  15  35 o 52.49357 24.54032 -44.59202      152.9164 -55.27720      192.2125 -26.16910      252.3888 56.81966 26.85688 63.93456 30.38175 -7.114899      40.55050 
1 1 1 11  16  0  o 101.2940 9.434594 248.8000       45.16402 243.6836       65.31816 253.4871       62.51702 99.36024 14.14974 101.5794 13.18385 -2.219162      19.33983 
1 1 1 11  16  1  o 319.4816 7.041912 2447.750       107.5585 2406.862       160.8850 2480.794       144.6313 315.9705 10.66556 321.0858 9.431999 -5.115387      14.23787 
1 1 1 11  16  2  o 197.5003 9.752980 940.3864       91.80537 0.000000       0.000000 940.3864       91.80537 ?        ?        197.5003 9.752980 0.000000       9.752980 
1 1 1 11  16  3  o 62.43125 15.70915 98.29580       46.84278 0.000000       0.000000 98.29580       46.84278 ?        ?        62.43125 15.70915 0.000000       15.70915 
1 1 1 11  16  4  o 224.4610 11.43954 1217.582       122.3554 0.000000       0.000000 1217.582       122.3554 ?        ?        224.4610 11.43954 0.000000       11.43954 
1 1 1 11  16  5  o 301.8650 13.36102 2207.579       192.3461 0.000000       0.000000 2207.579       192.3461 ?        ?        301.8650 13.36102 0.000000       13.36102 
1 1 1 11  16  6  o 55.42425 17.99920 72.80501       54.57740 0.000000       0.000000 72.80501       54.57740 ?        ?        55.42425 17.99920 0.000000       17.99920 
1 1 1 11  16  7  o 254.6021 12.06303 1567.833       146.4165 0.000000       0.000000 1567.833       146.4165 ?        ?        254.6021 12.06303 0.000000       12.06303 
1 1 1 11  16  8  o 257.6128 12.34619 1606.138       151.6153 0.000000       0.000000 1606.138       151.6153 ?        ?        257.6128 12.34619 0.000000       12.34619 
1 1 1 11  16  9  o 329.5681 14.00080 2635.535       220.0977 0.000000       0.000000 2635.535       220.0977 ?        ?        329.5681 14.00080 0.000000       14.00080 
1 1 1 11  16  10 o 183.4631 9.901999 812.3784       86.53019 0.000000       0.000000 812.3784       86.53019 ?        ?        183.4631 9.901999 0.000000       9.901999 
1 1 1 11  16  11 o 133.4390 12.79091 434.3967       80.60255 0.000000       0.000000 434.3967       80.60255 ?        ?        133.4390 12.79091 0.000000       12.79091 
1 1 1 11  16  12 o 287.0568 9.708412 1985.602       133.0451 0.000000       0.000000 1985.602       133.0451 ?        ?        287.0568 9.708412 0.000000       9.708412 
1 1 1 11  16  13 o 92.46139 14.26130 212.1122       61.01686 0.000000       0.000000 212.1122       61.01686 ?        ?        92.46139 14.26130 0.000000       14.26130 
1 1 1 11  16  14 o 405.6097 7.653533 3950.753       148.4153 3992.113       240.4527 3925.299       188.6362 406.0433 12.40104 403.7209 9.773170 2.322388       15.78926 
1 1 1 11  16  15 f 128.2223 11.24425 399.9625       68.23206 197.6165       112.6729 517.1387       85.74162 87.58968 25.41945 145.6694 12.43027 -58.07971      28.29593 
1 1 1 11  16  16 o 239.0691 12.29054 1387.154       140.0047 1295.351       178.3594 1534.521       225.9786 229.6656 16.35089 248.8802 19.13878 -19.21466      25.17230 
1 1 1 11  16  17 o 182.7106 13.48271 815.0613       116.9444 891.5495       148.4324 689.8786       189.8907 190.1788 16.48794 163.8265 25.03801 26.35233       29.97922 
1 1 1 11  16  18 o 212.0244 14.39089 1100.145       145.0109 1077.597       171.2934 1157.178       272.4301 208.7529 17.31901 211.2023 27.64325 -2.449387      32.62051 
1 1 1 11  16  19 o 278.9625 13.19346 1896.041       175.4610 1995.370       227.4319 1749.994       275.7764 284.5477 16.79281 263.5351 22.09134 21.01260       27.74933 
1 1 1 11  16  20 o 223.7492 15.63000 1232.246       166.1457 1054.584       240.9140 1393.383       229.4370 202.1349 25.49545 235.5844 20.57714 -33.44952      32.76335 
1 1 1 11  16  21 o 108.7684 22.07831 306.7321       110.8826 230.5515       141.8465 426.4230       177.7981 93.52386 28.85298 125.4482 30.04227 -31.92432      41.65372 
1 1 1 11  16  22 f 92.29332 24.73362 224.6795       111.3413 163.2668       142.4321 321.1716       178.5356 82.27834 29.05395 108.4896 32.13937 -26.21126      43.32518 
1 1 1 11  16  23 o 35.24934 17.01023 -128.0677      86.08732 -123.4850      98.77181 -142.5517      175.5962 39.29752 18.76679 56.00299 26.21868 -16.70547      32.24301 
1 1 1 11  16  24 o 245.2653 14.92744 1483.601       174.2081 1546.781       219.8911 1377.098       285.4933 248.3398 18.65691 228.8534 26.58771 19.48640       32.48056 
1 1 1 11  16  25 o 132.1106 19.98042 449.1986       122.2596 552.9802       144.2589 184.6227       230.3338 146.1865 21.26373 90.68801 35.86861 55.49853       41.69777 
1 1 1 11  16  26 o 90.16393 34.67043 199.0101       210.3752 255.3410       259.2672 90.43504       359.9478 99.00181 38.37653 93.03370 41.12758 5.968109       56.25154 
1 1 1 11  16  27 o 79.60693 31.41269 137.4039       176.2867 182.4348       263.9404 101.1377       236.8654 91.40175 37.58344 81.98112 34.78268 9.420624       51.20889 
1 1 1 11  16  28 o 93.47726 29.02674 246.6122       143.2907 251.3161       175.3963 237.1728       248.4654 94.15313 32.30207 94.82824 37.33180 -0.6751099     49.36686 
1 1 1 11  16  29 o 94.63209 30.99233 262.6451       161.6429 211.6523       175.9759 537.9797       408.9113 87.30020 32.09980 119.4706 47.61692 -32.17042      57.42620 
1 1 1 11  16  30 o 68.98103 29.92627 56.84003       182.7777 13.50362       281.0029 88.62077       240.6392 75.93194 34.69373 77.38202 33.93877 -1.450081      48.53344 
1 1 1 11  16  31 o 75.30819 28.55899 154.6964       141.4682 49.71156       171.9859 374.3395       248.7646 66.02338 28.83065 102.3367 38.06773 -36.31335      47.75310 
1 1 1 11  16  32 o 43.42728 21.12945 -186.1093      140.0390 -262.8706      171.8653 -34.46267      241.5648 45.78909 22.51335 66.74586 31.08372 -20.95678      38.38032 
1 1 1 11  16  33 o 79.38838 32.92458 200.8623       204.9138 -40.26260      310.6775 386.5325       272.6213 69.77938 33.31256 95.64787 38.61789 -25.86849      51.00067 
1 1 1 11  16  34 f 98.17889 33.23502 370.7547       185.5749 365.0496       203.2040 399.4207       455.4969 95.15267 34.57115 86.96398 41.17603 8.188690       53.76458 
1 1 1 11  17  0  o 99.36559 11.38400 241.2649       53.10508 156.9006       75.10235 325.6273       75.10149 78.40452 19.98056 115.1021 13.93075 -36.69756      24.35752 
1 1 1 11  17  1  o 162.4307 8.507936 635.6729       65.83909 605.6468       106.2412 654.3939       83.88979 157.4101 14.27228 164.4361 10.72956 -7.026062      17.85557 
1 1 1 11  17  2  o 207.8295 11.00822 1044.202       108.9885 0.000000       0.000000 1044.202       108.9885 ?        ?        207.8295 11.00822 0.000000       11.00822 
1 1 1 11  17  3  o 46.27385 17.64542 37.05694       54.18996 0.000000       0.000000 37.05694       54.18996 ?        ?        46.27385 17.64542 0.000000       17.64542 
1 1 1 11  17  4  o 141.1090 12.24467 484.5228       81.78882 0.000000       0.000000 484.5228       81.78882 ?        ?        141.1090 12.24467 0.000000       12.24467 
1 1 1 11  17  5  o 126.4912 11.51985 389.1858       68.90159 0.000000       0.000000 389.1858       68.90159 ?        ?        126.4912 11.51985 0.000000       11.51985 
1 1 1 11  17  6  o 123.5433 10.59029 370.4213       61.94835 0.000000       0.000000 370.4213       61.94835 ?        ?        123.5433 10.59029 0.000000       10.59029 
1 1 1 11  17  7  o 94.78111 16.66274 225.1219       72.75037 0.000000       0.000000 225.1219       72.75037 ?        ?        94.78111 16.66274 0.000000       16.66274 
1 1 1 11  17  8  f 177.5963 11.38369 764.1813       96.14625 0.000000       0.000000 764.1813       96.14625 ?        ?        177.5963 11.38369 0.000000       11.38369 
1 1 1 11  17  9  o 503.4982 9.908139 6104.576       238.5055 0.000000       0.000000 6104.576       238.5055 ?        ?        503.4982 9.908139 0.000000       9.908139 
1 1 1 11  17  10 o 269.5737 12.15511 1760.148       156.2522 0.000000       0.000000 1760.148       156.2522 ?        ?        269.5737 12.15511 0.000000       12.15511 
1 1 1 11  17  11 o 289.2087 13.56126 2032.416       186.9859 0.000000       0.000000 2032.416       186.9859 ?        ?        289.2087 13.56126 0.000000       13.56126 
1 1 1 11  17  12 o 378.2336 9.790622 3448.616       176.8942 0.000000       0.000000 3448.616       176.8942 ?        ?        378.2336 9.790622 0.000000       9.790622 
1 1 1 11  17  13 o 194.5705 13.40209 922.7433       123.9073 0.000000       0.000000 922.7433       123.9073 ?        ?        194.5705 13.40209 0.000000       13.40209 
1 1 1 11  17  14 o 299.2091 13.63867 2179.023       194.5860 0.000000       0.000000 2179.023       194.5860 ?        ?        299.2091 13.63867 0.000000       13.63867 
1 1 1 11  17  15 o 62.31209 19.10024 96.41640       62.28382 208.0930       137.0381 67.34126       69.92316 90.00457 28.45047 56.28945 20.30325 33.71512       34.95213 
1 1 1 11  17  16 o 135.9872 10.84634 449.6906       69.93233 353.3507       116.1983 504.4026       87.56651 117.4289 21.48907 143.5899 12.89285 -26.16100      25.06005 
1 1 1 11  17  17 o 103.7449 11.44631 263.6084       55.83017 345.0742       100.9908 227.7535       66.99906 116.8566 18.70757 95.44027 15.19223 21.41629       24.09932 
1 1 1 11  17  18 f 60.22121 24.46185 45.82287       110.1418 258.2708       151.0773 -195.1963      160.9158 98.60041 29.65033 50.02675 23.90785 48.57366       38.08841 
1 1 1 11  17  19 o 94.90769 20.10201 231.9899       88.36948 208.9163       103.4890 294.1056       169.7999 89.31025 23.80584 104.4939 31.43647 -15.18361      39.43311 
1 1 1 11  17  20 o 229.5504 13.98290 1290.286       152.7280 1423.359       197.3740 1091.698       241.1128 239.6371 17.34510 205.7474 25.02607 33.88974       30.44924 
1 1 1 11  17  21 o 283.2735 14.76539 1970.074       199.2771 2221.290       271.1715 1675.121       293.8311 298.2320 19.11943 255.4155 24.35716 42.81650       30.96489 
1 1 1 11  17  22 o 96.33041 24.48812 246.7627       113.0057 348.8989       144.8054 87.66769       180.7270 113.7879 27.02267 76.22885 31.19464 37.55908       41.27142 
1 1 1 11  17  23 o 121.2126 22.08463 384.1913       123.2674 422.5232       160.0331 328.2715       193.2915 124.5482 27.60197 107.7589 33.75175 16.78930       43.60103 
1 1 1 11  17  24 o 192.0179 17.51483 928.1135       159.0206 809.0407       179.9055 1353.497       340.0391 176.8130 21.73956 219.0296 33.53868 -42.21660      39.96813 
1 1 1 11  17  25 o 125.0731 22.96231 415.3570       132.2471 307.7203       165.7372 603.9923       219.4074 104.0017 31.00477 145.0038 32.45978 -41.00205      44.88801 
1 1 1 11  17  26 o 113.4888 25.53380 353.1021       135.1794 332.8915       170.8763 386.9062       220.9923 107.3530 31.34672 113.2089 36.16967 -5.855965      47.86295 
1 1 1 11  17  27 o 86.16853 28.51797 205.2371       136.7309 229.3799       165.8835 154.0741       241.4830 90.49139 31.39766 86.01833 35.71397 4.473061       47.55313 
1 1 1 11  17  28 o 126.3725 31.45229 480.4589       189.2702 488.0764       276.9882 473.7869       259.2305 118.9078 40.59859 118.4133 39.26984 0.4944839      56.48332 
1 1 1 11  17  29 o 87.25729 29.23763 226.2120       143.6295 74.31210       171.3593 584.9720       263.3485 69.07850 29.45613 128.7435 39.23880 -59.66499      49.06472 
1 1 1 11  17  30 o 58.61271 26.49712 -13.85715      158.5907 -97.91619      170.4480 528.0286       432.7664 54.45843 25.60197 108.2926 46.50795 -53.83415      53.08908 
1 1 1 11  17  31 o 89.76851 33.60777 270.1449       194.5084 34.16745       293.7443 454.4060       259.5680 74.63342 34.59235 107.7692 39.08453 -33.13580      52.19417 
1 1 1 11  17  32 o 56.55237 25.50659 6.618062       145.9662 -109.5000      177.5840 248.4597       256.2827 53.08149 25.29783 83.89195 35.90448 -30.81047      43.92165 
1 1 1 11  17  33 o 51.05856 23.89461 -50.96983      145.6097 -38.26587      177.1137 -77.46239      255.7670 56.19496 26.31603 62.02870 29.77575 -5.833744      39.73825 
1 1 1 11  18  0  o 162.1363 8.494258 633.7646       65.61401 562.9937       104.6449 679.6136       84.22781 151.4956 14.62985 167.5353 10.56964 -16.03969      18.04854 
1 1 1 11  18  1  o 265.6124 11.45010 1707.289       145.0590 0.000000       0.000000 1707.289       145.0590 ?        ?        265.6124 11.45010 0.000000       11.45010 
1 1 1 11  18  2  o 313.8969 9.703850 2375.327       145.4513 0.000000       0.000000 2375.327       145.4513 ?        ?        313.8969 9.703850 0.000000       9.703850 
1 1 1 11  18  3  o 319.5928 11.81224 2472.208       180.1730 0.000000       0.000000 2472.208       180.1730 ?        ?        319.5928 11.81224 0.000000       11.81224 
1 1 1 11  18  4  o 102.9308 14.37154 262.1638       68.79704 0.000000       0.000000 262.1638       68.79704 ?        ?        102.9308 14.37154 0.000000       14.37154 
1 1 1 11  18  5  o 121.9658 13.06595 364.4366       75.00214 0.000000       0.000000 364.4366       75.00214 ?        ?        121.9658 13.06595 0.000000       13.06595 
1 1 1 11  18  6  o 191.2269 11.11746 885.8157       101.2013 0.000000       0.000000 885.8157       101.2013 ?        ?        191.2269 11.11746 0.000000       11.11746 
1 1 1 11  18  7  o 38.11740 16.98383 -22.49770      62.60004 0.000000       0.000000 -22.49770      62.60004 ?        ?        38.11740 16.98383 0.000000       16.98383 
1 1 1 11  18  8  o 48.26976 16.10620 54.00391       43.59227 0.000000       0.000000 54.00391       43.59227 ?        ?        48.26976 16.10620 0.000000       16.10620 
1 1 1 11  18  9  o 297.2161 9.583701 2130.324       136.0022 0.000000       0.000000 2130.324       136.0022 ?        ?        297.2161 9.583701 0.000000       9.583701 
1 1 1 11  18  10 o 94.23899 14.05962 220.3990       61.41002 0.000000       0.000000 220.3990       61.41002 ?        ?        94.23899 14.05962 0.000000       14.05962 
1 1 1 11  18  11 o 254.6103 9.703451 1564.775       117.9003 0.000000       0.000000 1564.775       117.9003 ?        ?        254.6103 9.703451 0.000000       9.703451 
1 1 1 11  18  12 o 214.4452 13.58689 1121.951       138.5817 0.000000       0.000000 1121.951       138.5817 ?        ?        214.4452 13.58689 0.000000       13.58689 
1 1 1 11  18  13 o 246.3969 10.28092 1468.066       120.8428 0.000000       0.000000 1468.066       120.8428 ?        ?        246.3969 10.28092 0.000000       10.28092 
1 1 1 11  18  14 o 89.95018 14.04937 201.4751       58.44358 0.000000       0.000000 201.4751       58.44358 ?        ?        89.95018 14.04937 0.000000       14.04937 
1 1 1 11  18  15 o 72.45000 15.85165 133.3112       53.37632 0.000000       0.000000 133.3112       53.37632 ?        ?        72.45000 15.85165 0.000000       15.85165 
1 1 1 11  18  16 o 104.3269 14.70626 270.6172       71.31859 302.4203       151.4609 261.5569       80.84158 106.2652 29.00672 101.8332 17.21804 4.431915       33.73205 
1 1 1 11  18  17 o 168.6162 10.23019 689.3422       82.08112 720.4888       133.3074 670.3234       104.1694 170.5029 16.56204 165.4694 13.27922 5.033493       21.22825 
1 1 1 11  18  18 o 110.0645 11.80743 297.0916       61.16123 151.0112       109.6650 363.0415       73.68503 77.68112 25.53238 121.5227 12.87854 -43.84158      28.59649 
1 1 1 11  18  19 o 32.66140 15.93807 -144.4959      81.33123 -172.8437      85.13012 152.0309       275.3313 32.06771 15.78219 93.40888 38.39487 -61.34118      41.51197 
1 1 1 11  18  20 o 158.0292 15.19135 619.1108       113.3614 490.5883       137.7026 889.3716       199.6844 137.9802 21.58115 185.7970 22.96863 -47.81680      31.51673 
1 1 1 11  18  21 o 93.87669 23.42745 234.7188       104.8034 250.6504       111.8434 119.9877       300.1382 96.78408 24.22920 91.44215 38.98772 5.341927       45.90312 
1 1 1 11  18  22 f 157.9517 20.40235 640.8546       150.4729 894.1798       220.2478 419.1123       206.0614 183.4327 25.82889 120.2999 34.20999 63.13274       42.86555 
1 1 1 11  18  23 o 69.52267 27.39302 93.02463       133.8803 254.0264       192.3207 -58.35453      186.4849 96.13772 33.77669 62.81633 28.53084 33.32139       44.21395 
1 1 1 11  18  24 o 82.46384 24.79574 183.2441       105.6594 81.73458       123.8270 455.0562       202.6265 66.31662 26.27708 124.5238 33.36416 -58.20718      42.46943 
1 1 1 11  18  25 o 154.0310 17.98419 606.6859       129.9471 616.8372       157.8803 585.3649       228.8063 152.8005 22.26630 139.9284 34.43884 12.87210       41.01003 
1 1 1 11  18  26 o 47.19479 21.88549 -74.16489      117.7972 -105.0538      124.6411 184.1595       360.4481 46.36653 21.82746 94.67246 41.52909 -48.30593      46.91592 
1 1 1 11  18  27 o 172.7076 19.03158 781.5311       154.5407 611.1868       193.0716 1085.276       257.8155 144.6068 28.93771 193.9527 28.66639 -49.34595      40.73270 
1 1 1 11  18  28 o 86.25867 29.02764 222.5475       141.5624 254.1033       171.1849 154.2886       251.7709 90.53000 31.86178 82.27086 35.40480 8.259140       47.63059 
1 1 1 11  18  29 o 88.21842 33.30785 246.9502       191.9317 -11.50806      279.9642 476.1396       263.6360 72.37423 33.62284 112.0747 39.53210 -39.70052      51.89685 
1 1 1 11  18  30 o 129.4506 29.18924 526.9267       176.3233 609.4750       191.2081 57.80124       455.8234 139.0172 29.67299 82.56873 39.66542 56.44851       49.53617 
1 1 1 11  18  31 o 111.5387 28.37194 403.8871       151.6273 163.4909       184.1304 910.3325       267.2563 74.49397 31.07811 157.2792 36.28156 -82.78522      47.77238 
1 1 1 11  19  0  o 179.8073 8.962258 780.0132       76.80014 801.0947       123.8266 766.8339       97.90627 180.9238 14.43524 177.7307 11.58546 3.193054       18.50943 
1 1 1 11  19  1  o 185.4261 10.79660 832.7197       95.29797 0.000000       0.000000 832.7197       95.29797 ?        ?        185.4261 10.79660 0.000000       10.79660 
1 1 1 11  19  2  o 137.8052 12.87520 464.1087       83.84393 0.000000       0.000000 464.1087       83.84393 ?        ?        137.8052 12.87520 0.000000       12.87520 
1 1 1 11  19  3  o 272.5173 9.782468 1791.895       127.2465 0.000000       0.000000 1791.895       127.2465 ?        ?        272.5173 9.782468 0.000000       9.782468 
1 1 1 11  19  4  f 253.5826 12.45467 1561.108       150.5322 0.000000       0.000000 1561.108       150.5322 ?        ?        253.5826 12.45467 0.000000       12.45467 
1 1 1 11  19  5  o 274.9724 9.720098 1824.369       127.5805 0.000000       0.000000 1824.369       127.5805 ?        ?        274.9724 9.720098 0.000000       9.720098 
1 1 1 11  19  6  o 214.4743 12.71680 1118.843       129.8098 0.000000       0.000000 1118.843       129.8098 ?        ?        214.4743 12.71680 0.000000       12.71680 
1 1 1 11  19  7  o 194.0468 10.39447 911.2163       96.07917 0.000000       0.000000 911.2163       96.07917 ?        ?        194.0468 10.39447 0.000000       10.39447 
1 1 1 11  19  8  o 211.3158 12.31387 1085.423       123.8652 0.000000       0.000000 1085.423       123.8652 ?        ?        211.3158 12.31387 0.000000       12.31387 
1 1 1 11  19  9  o 101.7082 15.22934 257.6522       71.77822 0.000000       0.000000 257.6522       71.77822 ?        ?        101.7082 15.22934 0.000000       15.22934 
1 1 1 11  19  10 o 359.1859 15.73352 3159.781       269.5248 0.000000       0.000000 3159.781       269.5248 ?        ?        359.1859 15.73352 0.000000       15.73352 
1 1 1 11  19  11 o 49.72466 18.81462 45.45393       61.31764 0.000000       0.000000 45.45393       61.31764 ?        ?        49.72466 18.81462 0.000000       18.81462 
1 1 1 11  19  12 o 190.2658 13.49981 884.5972       122.0020 0.000000       0.000000 884.5972       122.0020 ?        ?        190.2658 13.49981 0.000000       13.49981 
1 1 1 11  19  13 o 295.5907 13.68339 2131.389       192.8470 0.000000       0.000000 2131.389       192.8470 ?        ?        295.5907 13.68339 0.000000       13.68339 
1 1 1 11  19  14 o 216.7312 11.35409 1140.525       117.2370 0.000000       0.000000 1140.525       117.2370 ?        ?        216.7312 11.35409 0.000000       11.35409 
1 1 1 11  19  15 o 173.9362 12.19237 738.0190       100.7459 0.000000       0.000000 738.0190       100.7459 ?        ?        173.9362 12.19237 0.000000       12.19237 
1 1 1 11  19  16 o 208.4302 13.54277 1064.066       134.2205 0.000000       0.000000 1064.066       134.2205 ?        ?        208.4302 13.54277 0.000000       13.54277 
1 1 1 11  19  17 o 402.0898 13.46934 3954.017       258.5618 3812.917       444.0105 4026.417       318.0535 385.2869 24.22729 403.4735 16.52330 -18.18661      29.32543 
1 1 1 11  19  18 o 60.50882 22.15626 79.24425       83.69988 -97.11272      280.1077 96.53490       87.70708 75.13931 34.44670 64.49048 22.79675 10.64883       41.30699 
1 1 1 11  19  19 o 127.3236 16.02489 406.8424       95.39082 457.0262       292.0005 400.8470       100.9283 122.9563 41.68911 125.9198 17.21559 -2.963509      45.10386 
1 1 1 11  19  20 o 91.46081 29.64768 226.7186       148.1159 266.4167       254.9724 206.4989       181.9677 100.6225 38.29802 89.78493 32.70090 10.83760       50.35958 
1 1 1 11  19  21 o 130.3933 19.99952 439.7105       120.7037 338.3372       151.4503 616.2134       199.8410 110.1330 28.53504 149.2478 29.05263 -39.11476      40.72228 
1 1 1 11  19  22 o 114.8156 22.34535 350.0521       118.2432 234.3061       147.1837 560.7245       198.5686 92.04899 29.52914 140.8902 30.37479 -48.84126      42.36270 
1 1 1 11  19  23 o 111.8830 26.36746 347.1484       138.7143 391.9301       153.4810 147.4448       324.1135 118.3039 27.63746 92.32057 39.95189 25.98335       48.57965 
1 1 1 11  19  24 o 120.9986 27.23773 413.8156       153.7540 279.1087       225.1355 531.5614       210.4852 97.45329 36.22167 132.7909 33.23618 -35.33765      49.15947 
1 1 1 11  19  25 o 142.3752 23.74795 556.5356       155.9570 576.3295       211.8920 533.1372       230.3790 137.1247 32.76926 128.3901 36.05667 8.734528       48.72277 
1 1 1 11  19  26 f 76.51701 31.26259 137.1672       181.1564 156.6324       207.3243 74.32857       372.5072 80.33487 33.19887 85.11722 39.27598 -4.782349      51.42730 
1 1 1 11  19  27 o 108.3542 24.17460 335.9076       122.0475 274.2598       142.0130 510.0849       238.7068 94.63289 28.80916 120.1110 37.49110 -25.47813      47.28160 
1 1 1 11  19  28 o 99.51434 26.02475 296.9713       125.1998 326.7006       145.9323 214.0702       243.6907 102.2426 28.69142 84.62431 35.55883 17.61834       45.69057 
1 1 1 11  19  29 o 55.12753 25.25107 -21.73900      150.0895 -35.02500      159.1832 84.67943       450.5142 55.46359 25.62198 81.35666 39.17281 -25.89307      46.80807 
1 1 1 11  19  30 o 69.71194 30.68074 112.5972       198.2144 143.0131       284.2801 83.82010       276.5160 75.63745 34.68520 72.04051 33.44978 3.596939       48.18662 
1 1 1 11  20  0  o 99.98798 23.43473 262.0668       110.0607 0.000000       0.000000 262.0668       110.0607 ?        ?        99.98798 23.43473 0.000000       23.43473 
1 1 1 11  20  1  o 118.8450 12.53015 346.7569       70.12408 0.000000       0.000000 346.7569       70.12408 ?        ?        118.8450 12.53015 0.000000       12.53015 
1 1 1 11  20  2  o 63.80374 17.33356 103.6348       54.23605 0.000000       0.000000 103.6348       54.23605 ?        ?        63.80374 17.33356 0.000000       17.33356 
1 1 1 11  20  3  f 113.4797 14.34629 318.8399       76.09701 0.000000       0.000000 318.8399       76.09701 ?        ?        113.4797 14.34629 0.000000       14.34629 
1 1 1 11  20  4  o 163.8857 11.98538 654.5007       93.25843 0.000000       0.000000 654.5007       93.25843 ?        ?        163.8857 11.98538 0.000000       11.98538 
1 1 1 11  20  5  o 157.0459 11.70441 600.7212       87.24697 0.000000       0.000000 600.7212       87.24697 ?        ?        157.0459 11.70441 0.000000       11.70441 
1 1 1 11  20  6  f 57.33290 17.60900 81.33938       52.90492 0.000000       0.000000 81.33938       52.90492 ?        ?        57.33290 17.60900 0.000000       17.60900 
1 1 1 11  20  7  f 292.1740 9.837665 2062.681       137.2215 0.000000       0.000000 2062.681       137.2215 ?        ?        292.1740 9.837665 0.000000       9.837665 
1 1 1 11  20  8  o 383.1580 11.78513 3562.271       215.6274 0.000000       0.000000 3562.271       215.6274 ?        ?        383.1580 11.78513 0.000000       11.78513 
1 1 1 11  20  9  o 153.4601 12.13359 574.9645       88.29721 0.000000       0.000000 574.9645       88.29721 ?        ?        153.4601 12.13359 0.000000       12.13359 
1 1 1 11  20  10 o 191.3909 12.82738 894.8279       116.6952 0.000000       0.000000 894.8279       116.6952 ?        ?        191.3909 12.82738 0.000000       12.82738 
1 1 1 11  20  11 o 129.1614 12.18007 408.7755       74.32458 0.000000       0.000000 408.7755       74.32458 ?        ?        129.1614 12.18007 0.000000       12.18007 
1 1 1 11  20  12 o 144.7412 13.15930 514.8362       90.06678 0.000000       0.000000 514.8362       90.06678 ?        ?        144.7412 13.15930 0.000000       13.15930 
1 1 1 11  20  13 o 243.7471 13.36021 1455.134       155.0947 0.000000       0.000000 1455.134       155.0947 ?        ?        243.7471 13.36021 0.000000       13.36021 
1 1 1 11  20  14 o 102.8747 16.86053 268.0984       80.05534 0.000000       0.000000 268.0984       80.05534 ?        ?        102.8747 16.86053 0.000000       16.86053 
1 1 1 11  20  15 o 148.8977 15.34582 551.5360       107.6785 0.000000       0.000000 551.5360       107.6785 ?        ?        148.8977 15.34582 0.000000       15.34582 
1 1 1 11  20  16 o 252.2174 11.60810 1551.894       139.5978 0.000000       0.000000 1551.894       139.5978 ?        ?        252.2174 11.60810 0.000000       11.60810 
1 1 1 11  20  17 o 46.20886 19.02207 21.54141       67.71243 0.000000       0.000000 21.54141       67.71243 ?        ?        46.20886 19.02207 0.000000       19.02207 
1 1 1 11  20  18 o 292.1008 11.99184 2087.160       167.1100 1976.886       306.0479 2134.004       199.4703 275.6048 23.44953 294.0060 14.23331 -18.40121      27.43114 
1 1 1 11  20  19 o 265.6397 11.84724 1727.303       150.0806 2036.123       272.9070 1593.418       179.6923 282.1784 20.36641 253.3935 14.89863 28.78490       25.23410 
1 1 1 11  20  20 o 161.0677 11.76161 637.6813       89.94556 1115.974       198.4735 514.0617       100.9019 208.2776 20.18478 143.2915 14.94850 64.98615       25.11738 
1 1 1 11  20  21 o 117.3520 14.44194 346.3577       79.31903 9.133848       193.9132 414.1185       86.92356 68.42184 30.21982 128.4713 14.39968 -60.04941      33.47519 
1 1 1 11  20  22 o 122.2453 24.47152 411.7029       138.0277 455.1482       152.2442 211.1283       327.1204 127.7795 25.81098 94.52640 40.51231 33.25311       48.03596 
1 1 1 11  20  23 o 84.22227 26.44164 201.6809       118.5609 204.5848       146.5509 196.1802       201.7036 84.67323 29.50358 85.43519 33.63529 -0.7619629     44.74141 
1 1 1 11  20  24 o 58.94066 24.53336 51.62072       114.3632 145.4719       139.1862 -143.4068      200.6431 74.67160 28.32538 57.20205 27.15545 17.46955       39.23959 
1 1 1 11  20  25 o 86.75004 28.82512 226.4124       139.6554 250.4896       151.8734 94.57520       355.3839 90.28564 30.06128 84.02216 38.62257 6.263481       48.94265 
1 1 1 11  20  26 o 87.10598 25.63349 225.5808       113.8829 323.5365       130.8818 -79.75457      231.0750 104.0237 26.30506 63.46738 29.82853 40.55634       39.77056 
1 1 1 11  20  27 o 158.6776 23.36588 723.7329       171.9570 845.1701       228.1775 564.1118       261.6028 162.6936 30.45458 117.9939 39.45736 44.69978       49.84340 
1 1 1 11  20  28 o 87.26114 28.52153 252.4772       136.9280 186.8550       144.8460 803.9456       419.8957 76.54804 28.92770 113.6654 47.13472 -37.11739      55.30365 
1 1 1 11  21  0  o 128.6037 15.20358 411.5634       91.67221 0.000000       0.000000 411.5634       91.67221 ?        ?        128.6037 15.20358 0.000000       15.20358 
1 1 1 11  21  1  o 156.6896 13.89778 604.9592       103.0316 0.000000       0.000000 604.9592       103.0316 ?        ?        156.6896 13.89778 0.000000       13.89778 
1 1 1 11  21  2  o 105.9137 16.94265 283.5700       82.90082 0.000000       0.000000 283.5700       82.90082 ?        ?        105.9137 16.94265 0.000000       16.94265 
1 1 1 11  21  3  o 84.33567 15.28802 179.7699       59.37200 0.000000       0.000000 179.7699       59.37200 ?        ?        84.33567 15.28802 0.000000       15.28802 
1 1 1 11  21  4  o 221.6260 12.51183 1200.003       132.0330 0.000000       0.000000 1200.003       132.0330 ?        ?        221.6260 12.51183 0.000000       12.51183 
1 1 1 11  21  5  o 151.7697 15.23337 571.2925       109.0394 0.000000       0.000000 571.2925       109.0394 ?        ?        151.7697 15.23337 0.000000       15.23337 
1 1 1 11  21  6  o 233.2062 13.33629 1332.373       148.0706 0.000000       0.000000 1332.373       148.0706 ?        ?        233.2062 13.33629 0.000000       13.33629 
1 1 1 11  21  7  o 188.2081 12.36038 866.2312       110.6033 0.000000       0.000000 866.2312       110.6033 ?        ?        188.2081 12.36038 0.000000       12.36038 
1 1 1 11  21  8  o 156.3738 12.16108 598.7493       90.20261 0.000000       0.000000 598.7493       90.20261 ?        ?        156.3738 12.16108 0.000000       12.16108 
1 1 1 11  21  9  o 112.2402 13.88317 312.8629       72.91151 0.000000       0.000000 312.8629       72.91151 ?        ?        112.2402 13.88317 0.000000       13.88317 
1 1 1 11  21  10 o 117.4692 43.85620 396.0288       330.7561 0.000000       0.000000 396.0288       330.7561 ?        ?        117.4692 43.85620 0.000000       43.85620 
1 1 1 11  21  11 o 129.6704 12.95333 414.7675       79.22935 0.000000       0.000000 414.7675       79.22935 ?        ?        129.6704 12.95333 0.000000       12.95333 
1 1 1 11  21  12 o 42.65305 16.50031 30.65571       47.85652 0.000000       0.000000 30.65571       47.85652 ?        ?        42.65305 16.50031 0.000000       16.50031 
1 1 1 11  21  13 o 162.9784 15.04447 660.2358       115.9013 0.000000       0.000000 660.2358       115.9013 ?        ?        162.9784 15.04447 0.000000       15.04447 
1 1 1 11  21  14 o 132.9190 15.19888 441.5517       94.84999 0.000000       0.000000 441.5517       94.84999 ?        ?        132.9190 15.19888 0.000000       15.19888 
1 1 1 11  21  15 o 176.0070 14.70838 769.4807       122.6360 0.000000       0.000000 769.4807       122.6360 ?        ?        176.0070 14.70838 0.000000       14.70838 
1 1 1 11  21  16 o 204.9567 13.15377 1035.677       128.2100 0.000000       0.000000 1035.677       128.2100 ?        ?        204.9567 13.15377 0.000000       13.15377 
1 1 1 11  21  17 o 232.6930 12.28903 1331.060       136.2281 0.000000       0.000000 1331.060       136.2281 ?        ?        232.6930 12.28903 0.000000       12.28903 
1 1 1 11  21  18 o 166.2481 15.06274 693.4921       118.4228 0.000000       0.000000 693.4921       118.4228 ?        ?        166.2481 15.06274 0.000000       15.06274 
1 1 1 11  21  19 o 116.6856 19.65216 358.4734       105.7401 0.000000       0.000000 358.4734       105.7401 ?        ?        116.6856 19.65216 0.000000       19.65216 
1 1 1 11  21  20 o 83.98212 24.19878 196.8388       102.4491 512.7728       303.1429 156.1017       108.8539 119.8391 42.37997 75.80993 25.45379 44.02915       49.43640 
1 1 1 11  21  21 o 78.40998 23.36878 171.2317       94.16362 61.59920       306.8294 182.6308       98.93795 81.19592 36.76649 80.69144 23.93053 0.5044861      43.86850 
1 1 1 11  21  22 o 49.37242 21.36104 9.808696       92.61160 512.8741       308.7340 -39.93488      97.08245 115.8442 42.53057 44.76913 20.43122 71.07503       47.18352 
1 1 1 11  21  23 o 76.61707 33.03550 115.3528       220.0187 42.82218       284.1511 223.9419       347.6818 76.53362 34.93771 90.70055 40.24179 -14.16692      53.29208 
1 1 1 11  21  24 o 87.69110 31.03961 244.9062       162.6449 45.74807       245.7367 400.1644       216.9693 72.16007 32.76547 105.8171 35.93537 -33.65700      48.63051 
1 1 1 11  21  25 o 55.25985 24.26892 22.20448       123.4235 152.7275       148.1463 -273.9396      223.1509 73.30637 28.83641 52.56804 25.80765 20.73833       38.69849 
1 1 1 11  21  26 o 47.65533 22.13777 -49.67994      121.3370 -12.45238      144.3125 -139.4800      224.1351 54.54322 24.89882 57.36139 27.62202 -2.818172      37.18773 
1 1 1 11  22  0  o 123.4505 16.34572 385.8274       94.10448 0.000000       0.000000 385.8274       94.10448 ?        ?        123.4505 16.34572 0.000000       16.34572 
1 1 1 11  22  1  o 42.01892 19.39295 -60.63990      90.88471 0.000000       0.000000 -60.63990      90.88471 ?        ?        42.01892 19.39295 0.000000       19.39295 
1 1 1 11  22  2  o 130.6150 14.13796 424.8246       86.87952 0.000000       0.000000 424.8246       86.87952 ?        ?        130.6150 14.13796 0.000000       14.13796 
1 1 1 11  22  3  o 213.7916 11.35816 1116.855       115.6766 0.000000       0.000000 1116.855       115.6766 ?        ?        213.7916 11.35816 0.000000       11.35816 
1 1 1 11  22  4  o 112.5134 18.47504 324.9023       95.93349 0.000000       0.000000 324.9023       95.93349 ?        ?        112.5134 18.47504 0.000000       18.47504 
1 1 1 11  22  5  o 203.4892 13.14832 1018.997       127.2298 0.000000       0.000000 1018.997       127.2298 ?        ?        203.4892 13.14832 0.000000       13.14832 
1 1 1 11  22  6  o 70.06528 23.89319 121.7089       95.93206 0.000000       0.000000 121.7089       95.93206 ?        ?        70.06528 23.89319 0.000000       23.89319 
1 1 1 11  22  7  o 138.9759 12.05759 474.9751       79.32203 0.000000       0.000000 474.9751       79.32203 ?        ?        138.9759 12.05759 0.000000       12.05759 
1 1 1 11  22  8  o 245.4149 12.65591 1478.192       147.9903 0.000000       0.000000 1478.192       147.9903 ?        ?        245.4149 12.65591 0.000000       12.65591 
1 1 1 11  22  9  o 83.07032 17.30416 178.2963       66.48916 0.000000       0.000000 178.2963       66.48916 ?        ?        83.07032 17.30416 0.000000       17.30416 
1 1 1 11  22  10 o 124.0956 15.74898 387.9470       91.33514 0.000000       0.000000 387.9470       91.33514 ?        ?        124.0956 15.74898 0.000000       15.74898 
1 1 1 11  22  11 o 86.30769 16.21635 191.0984       64.45693 0.000000       0.000000 191.0984       64.45693 ?        ?        86.30769 16.21635 0.000000       16.21635 
1 1 1 11  22  12 f 245.1560 14.38151 1492.674       167.8201 0.000000       0.000000 1492.674       167.8201 ?        ?        245.1560 14.38151 0.000000       14.38151 
1 1 1 11  22  13 o 137.5259 13.33961 470.6940       86.60703 0.000000       0.000000 470.6940       86.60703 ?        ?        137.5259 13.33961 0.000000       13.33961 
1 1 1 11  22  14 o 42.11039 19.74330 -84.52729      100.1835 0.000000       0.000000 -84.52729      100.1835 ?        ?        42.11039 19.74330 0.000000       19.74330 
1 1 1 11  22  15 o 165.4991 15.94286 694.0030       124.5859 0.000000       0.000000 694.0030       124.5859 ?        ?        165.4991 15.94286 0.000000       15.94286 
1 1 1 11  22  16 o 72.10645 19.94493 139.4713       71.07229 0.000000       0.000000 139.4713       71.07229 ?        ?        72.10645 19.94493 0.000000       19.94493 
1 1 1 11  22  17 o 182.6293 14.11616 838.1700       122.2964 0.000000       0.000000 838.1700       122.2964 ?        ?        182.6293 14.11616 0.000000       14.11616 
1 1 1 11  22  18 o 87.98275 20.45313 210.5628       84.39579 0.000000       0.000000 210.5628       84.39579 ?        ?        87.98275 20.45313 0.000000       20.45313 
1 1 1 11  22  19 o 144.3079 15.14282 531.5883       102.9190 0.000000       0.000000 531.5883       102.9190 ?        ?        144.3079 15.14282 0.000000       15.14282 
1 1 1 11  22  20 o 104.2056 17.86368 287.9450       85.79469 0.000000       0.000000 287.9450       85.79469 ?        ?        104.2056 17.86368 0.000000       17.86368 
1 1 1 11  22  21 o 109.9381 15.48839 314.3408       79.15373 642.4082       194.6426 249.3371       86.64139 145.3664 29.02387 95.42014 19.64710 49.94626       35.04845 
1 1 1 11  22  22 o 30.28775 14.37300 -59.10193      56.10439 71.53482       185.8515 -72.20054      58.84993 67.98355 29.82112 29.98193 14.36329 38.00162       33.09990 
1 1 1 11  22  23 f 88.89479 17.48662 215.2076       71.66858 482.5825       199.0079 175.3634       76.82323 116.5000 33.77452 78.47633 20.31812 38.02370       39.41503 
1 1 1 11  23  0  o 81.75764 25.53347 184.3172       110.7047 0.000000       0.000000 184.3172       110.7047 ?        ?        81.75764 25.53347 0.000000       25.53347 
1 1 1 11  23  1  o 178.2059 13.91420 792.6558       117.6074 0.000000       0.000000 792.6558       117.6074 ?        ?        178.2059 13.91420 0.000000       13.91420 
1 1 1 11  23  2  o 139.2277 12.69789 481.7005       83.59197 0.000000       0.000000 481.7005       83.59197 ?        ?        139.2277 12.69789 0.000000       12.69789 
1 1 1 11  23  3  o 128.7521 14.57314 417.3711       88.12954 0.000000       0.000000 417.3711       88.12954 ?        ?        128.7521 14.57314 0.000000       14.57314 
1 1 1 11  23  4  o 18.69127 9.425101 -124.6308      39.32475 0.000000       0.000000 -124.6308      39.32475 ?        ?        18.69127 9.425101 0.000000       9.425101 
1 1 1 11  23  5  o 104.9436 18.30651 287.1964       88.50955 0.000000       0.000000 287.1964       88.50955 ?        ?        104.9436 18.30651 0.000000       18.30651 
1 1 1 11  23  6  o 238.0398 21.52942 1488.345       242.3674 0.000000       0.000000 1488.345       242.3674 ?        ?        238.0398 21.52942 0.000000       21.52942 
1 1 1 11  23  7  o 62.44947 22.66443 92.09965       87.30374 0.000000       0.000000 92.09965       87.30374 ?        ?        62.44947 22.66443 0.000000       22.66443 
1 1 1 11  23  8  o 72.30318 18.58857 138.6639       64.60863 0.000000       0.000000 138.6639       64.60863 ?        ?        72.30318 18.58857 0.000000       18.58857 
1 1 1 11  23  9  o 85.54310 16.87233 190.7382       66.55048 0.000000       0.000000 190.7382       66.55048 ?        ?        85.54310 16.87233 0.000000       16.87233 
1 1 1 11  23  10 o 77.52245 32.86785 102.0535       211.2527 0.000000       0.000000 102.0535       211.2527 ?        ?        77.52245 32.86785 0.000000       32.86785 
1 1 1 11  23  11 o 27.89082 13.40198 -71.77995      52.11313 0.000000       0.000000 -71.77995      52.11313 ?        ?        27.89082 13.40198 0.000000       13.40198 
1 1 1 11  23  12 o 91.41466 16.97043 218.1973       71.43819 0.000000       0.000000 218.1973       71.43819 ?        ?        91.41466 16.97043 0.000000       16.97043 
1 1 1 11  23  13 o 61.70881 17.91963 100.3657       55.97881 0.000000       0.000000 100.3657       55.97881 ?        ?        61.70881 17.91963 0.000000       17.91963 
1 1 1 11  23  14 f 86.36449 16.73268 195.5901       66.59339 0.000000       0.000000 195.5901       66.59339 ?        ?        86.36449 16.73268 0.000000       16.73268 
1 1 1 11  23  15 o 43.17289 20.23122 -79.74976      104.9711 0.000000       0.000000 -79.74976      104.9711 ?        ?        43.17289 20.23122 0.000000       20.23122 
1 1 1 11  23  16 o 51.36409 21.93376 21.64299       95.25486 0.000000       0.000000 21.64299       95.25486 ?        ?        51.36409 21.93376 0.000000       21.93376 
1 1 1 11  23  17 o 108.3687 21.36336 325.3106       106.7470 0.000000       0.000000 325.3106       106.7470 ?        ?        108.3687 21.36336 0.000000       21.36336 
1 1 1 11  23  18 o 198.0722 13.84099 998.1979       130.2439 0.000000       0.000000 998.1979       130.2439 ?        ?        198.0722 13.84099 0.000000       13.84099 
1 1 1 11  23  19 o 44.26614 20.88082 -85.06508      115.1071 0.000000       0.000000 -85.06508      115.1071 ?        ?        44.26614 20.88082 0.000000       20.88082 
1 1 1 11  23  20 f 54.55909 23.31865 38.71766       107.8339 0.000000       0.000000 38.71766       107.8339 ?        ?        54.55909 23.31865 0.000000       23.31865 
1 1 1 11  24  1  o 141.0902 17.80835 522.3216       117.4529 0.000000       0.000000 522.3216       117.4529 ?        ?        141.0902 17.80835 0.000000       17.80835 
1 1 1 11  24  2  o 87.63075 23.46408 218.0180       100.2572 0.000000       0.000000 218.0180       100.2572 ?        ?        87.63075 23.46408 0.000000       23.46408 
1 1 1 11  24  3  o 201.4582 11.87836 1009.439       113.8985 0.000000       0.000000 1009.439       113.8985 ?        ?        201.4582 11.87836 0.000000       11.87836 
1 1 1 11  24  4  o 94.60247 15.77670 232.7227       68.84392 0.000000       0.000000 232.7227       68.84392 ?        ?        94.60247 15.77670 0.000000       15.77670 
1 1 1 11  24  5  o 73.65462 17.35136 144.8286       60.08807 0.000000       0.000000 144.8286       60.08807 ?        ?        73.65462 17.35136 0.000000       17.35136 
1 1 1 11  24  6  o 195.6435 19.55210 1013.828       180.4333 0.000000       0.000000 1013.828       180.4333 ?        ?        195.6435 19.55210 0.000000       19.55210 
1 1 1 11  24  7  o 108.4194 19.19708 314.9518       95.86511 0.000000       0.000000 314.9518       95.86511 ?        ?        108.4194 19.19708 0.000000       19.19708 
1 1 1 11  24  8  o 129.7782 17.04983 439.5925       103.2303 0.000000       0.000000 439.5925       103.2303 ?        ?        129.7782 17.04983 0.000000       17.04983 
1 1 1 11  24  9  o 69.43974 18.65478 130.6749       63.24253 0.000000       0.000000 130.6749       63.24253 ?        ?        69.43974 18.65478 0.000000       18.65478 
1 1 1 11  24  10 o 88.38827 18.10158 209.7124       73.91670 0.000000       0.000000 209.7124       73.91670 ?        ?        88.38827 18.10158 0.000000       18.10158 
1 1 1 11  24  11 o 138.2211 48.26180 869.5704       392.2583 0.000000       0.000000 869.5704       392.2583 ?        ?        138.2211 48.26180 0.000000       48.26180 
1 1 1 11  24  12 o 110.3822 18.35385 326.4925       93.45787 0.000000       0.000000 326.4925       93.45787 ?        ?        110.3822 18.35385 0.000000       18.35385 
1 1 1 11  24  13 o 52.38717 18.20538 68.62592       55.78144 0.000000       0.000000 68.62592       55.78144 ?        ?        52.38717 18.20538 0.000000       18.20538 
1 1 1 11  24  14 o 43.51372 17.09477 34.72344       52.00517 0.000000       0.000000 34.72344       52.00517 ?        ?        43.51372 17.09477 0.000000       17.09477 
1 1 1 11  24  15 o 46.80862 17.68764 47.60667       54.14994 0.000000       0.000000 47.60667       54.14994 ?        ?        46.80862 17.68764 0.000000       17.68764 
1 1 1 12  -12 0  o 107.7650 21.91997 337.4855       109.0851 337.4855       109.0851 0.000000       0.000000 107.7650 21.91997 ?        ?        0.000000       21.91997 
1 1 1 12  -12 1  o 57.51676 20.32981 88.49772       69.75050 88.49772       69.75050 0.000000       0.000000 57.51676 20.32981 ?        ?        0.000000       20.32981 
1 1 1 12  -12 2  o 92.75731 19.83285 243.4374       85.28689 243.4374       85.28689 0.000000       0.000000 92.75731 19.83285 ?        ?        0.000000       19.83285 
1 1 1 12  -12 3  o 83.82676 19.76781 199.6327       77.92621 199.6327       77.92621 0.000000       0.000000 83.82676 19.76781 ?        ?        0.000000       19.76781 
1 1 1 12  -12 4  o 85.95619 19.01584 207.3895       76.07210 207.3895       76.07210 0.000000       0.000000 85.95619 19.01584 ?        ?        0.000000       19.01584 
1 1 1 12  -12 5  o 64.13634 22.04635 116.8003       81.71337 116.8003       81.71337 0.000000       0.000000 64.13634 22.04635 ?        ?        0.000000       22.04635 
1 1 1 12  -12 6  o 74.74139 22.22429 165.6810       85.24298 165.6810       85.24298 0.000000       0.000000 74.74139 22.22429 ?        ?        0.000000       22.22429 
1 1 1 12  -12 7  o 100.6044 19.98778 287.2082       92.74768 287.2082       92.74768 0.000000       0.000000 100.6044 19.98778 ?        ?        0.000000       19.98778 
1 1 1 12  -12 8  f 122.8441 27.12365 478.7085       155.0338 478.7085       155.0338 0.000000       0.000000 122.8441 27.12365 ?        ?        0.000000       27.12365 
1 1 1 12  -11 0  o 48.11718 22.25338 -56.87312      120.5761 -56.87312      120.5761 0.000000       0.000000 48.11718 22.25338 ?        ?        0.000000       22.25338 
1 1 1 12  -11 1  o 68.13673 18.79644 126.6135       63.21734 126.6135       63.21734 0.000000       0.000000 68.13673 18.79644 ?        ?        0.000000       18.79644 
1 1 1 12  -11 2  o 150.9597 10.29531 563.9343       73.85873 563.9343       73.85873 0.000000       0.000000 150.9597 10.29531 ?        ?        0.000000       10.29531 
1 1 1 12  -11 3  o 80.54253 17.04880 173.2780       63.59984 173.2780       63.59984 0.000000       0.000000 80.54253 17.04880 ?        ?        0.000000       17.04880 
1 1 1 12  -11 4  o 48.45686 19.08133 43.85077       64.92686 43.85077       64.92686 0.000000       0.000000 48.45686 19.08133 ?        ?        0.000000       19.08133 
1 1 1 12  -11 5  o 159.8839 13.72318 648.5098       103.8844 648.5098       103.8844 0.000000       0.000000 159.8839 13.72318 ?        ?        0.000000       13.72318 
1 1 1 12  -11 6  o 80.87370 23.94804 188.5819       99.14384 188.5819       99.14384 0.000000       0.000000 80.87370 23.94804 ?        ?        0.000000       23.94804 
1 1 1 12  -11 7  o 81.68401 22.39911 189.6991       90.07821 189.6991       90.07821 0.000000       0.000000 81.68401 22.39911 ?        ?        0.000000       22.39911 
1 1 1 12  -11 8  o 271.1094 14.38803 1871.929       185.8216 1871.929       185.8216 0.000000       0.000000 271.1094 14.38803 ?        ?        0.000000       14.38803 
1 1 1 12  -11 9  o 87.17282 36.19413 242.6411       248.0279 242.6411       248.0279 0.000000       0.000000 87.17282 36.19413 ?        ?        0.000000       36.19413 
1 1 1 12  -11 10 o 59.43771 24.36255 69.09694       110.4556 69.09694       110.4556 0.000000       0.000000 59.43771 24.36255 ?        ?        0.000000       24.36255 
1 1 1 12  -11 11 o 106.3716 19.62019 312.7783       96.10345 312.7783       96.10345 0.000000       0.000000 106.3716 19.62019 ?        ?        0.000000       19.62019 
1 1 1 12  -11 12 o 83.79123 26.12468 217.4113       115.9423 217.4113       115.9423 0.000000       0.000000 83.79123 26.12468 ?        ?        0.000000       26.12468 
1 1 1 12  -11 13 o 62.35161 18.09157 107.7796       57.07921 313.8635       115.2702 40.83209       65.69952 102.3609 23.97755 47.22810 18.99679 55.13278       30.59086 
1 1 1 12  -11 14 o 61.68238 27.09775 55.26611       153.9792 55.26611       153.9792 0.000000       0.000000 61.68238 27.09775 ?        ?        0.000000       27.09775 
1 1 1 12  -10 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -10 3  o 118.7306 17.28308 364.7920       95.22752 364.7920       95.22752 0.000000       0.000000 118.7306 17.28308 ?        ?        0.000000       17.28308 
1 1 1 12  -10 4  o 33.62838 15.66511 -49.53623      61.41950 -49.53623      61.41950 0.000000       0.000000 33.62838 15.66511 ?        ?        0.000000       15.66511 
1 1 1 12  -10 5  o 141.8603 13.53189 504.6811       90.66501 504.6811       90.66501 0.000000       0.000000 141.8603 13.53189 ?        ?        0.000000       13.53189 
1 1 1 12  -10 6  o 75.31766 21.36224 154.4470       80.45531 154.4470       80.45531 0.000000       0.000000 75.31766 21.36224 ?        ?        0.000000       21.36224 
1 1 1 12  -10 7  o 67.22023 19.64456 120.8915       67.08451 120.8915       67.08451 0.000000       0.000000 67.22023 19.64456 ?        ?        0.000000       19.64456 
1 1 1 12  -10 8  o 203.4758 13.66627 1038.240       132.1737 1038.240       132.1737 0.000000       0.000000 203.4758 13.66627 ?        ?        0.000000       13.66627 
1 1 1 12  -10 9  f 102.9115 16.64213 275.9752       79.08724 275.9752       79.08724 0.000000       0.000000 102.9115 16.64213 ?        ?        0.000000       16.64213 
1 1 1 12  -10 10 o 197.5129 10.90799 963.8752       102.6027 963.8752       102.6027 0.000000       0.000000 197.5129 10.90799 ?        ?        0.000000       10.90799 
1 1 1 12  -10 11 o 90.56264 19.71466 222.8777       82.93118 222.8777       82.93118 0.000000       0.000000 90.56264 19.71466 ?        ?        0.000000       19.71466 
1 1 1 12  -10 12 o 110.1228 11.40392 303.0077       59.17197 298.2488       93.90907 306.1411       76.20196 105.2106 19.38382 109.0315 15.01702 -3.820976      24.52026 
1 1 1 12  -10 13 o 115.3152 10.87674 331.0715       59.25605 330.3405       103.3300 331.4297       72.33134 110.0473 20.39056 114.1742 13.51266 -4.126869      24.46154 
1 1 1 12  -10 14 o 140.1040 12.01208 492.4762       79.68373 343.7656       223.7585 514.0744       85.27412 99.11239 36.23670 142.8194 12.61850 -43.70705      38.37089 
1 1 1 12  -10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -10 16 o 51.10776 18.50697 63.50650       58.16952 119.9003       187.3358 57.48906       61.19434 72.03144 30.75941 50.14904 18.83484 21.88240       36.06788 
1 1 1 12  -10 17 o 37.65339 16.61410 -5.299696      58.47468 370.2199       323.4569 -17.98690      59.45428 92.88684 40.05297 36.13983 16.29124 56.74701       43.23939 
1 1 1 12  -9  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -9  6  o 209.1064 8.778180 1060.982       87.56148 1060.982       87.56148 0.000000       0.000000 209.1064 8.778180 ?        ?        0.000000       8.778180 
1 1 1 12  -9  7  o 126.9954 12.36209 399.1926       74.10765 399.1926       74.10765 0.000000       0.000000 126.9954 12.36209 ?        ?        0.000000       12.36209 
1 1 1 12  -9  8  o 60.09248 23.31425 70.20927       95.75188 70.20927       95.75188 0.000000       0.000000 60.09248 23.31425 ?        ?        0.000000       23.31425 
1 1 1 12  -9  9  o 59.37983 21.04091 83.07439       74.75410 83.07439       74.75410 0.000000       0.000000 59.37983 21.04091 ?        ?        0.000000       21.04091 
1 1 1 12  -9  10 o 127.0927 12.63212 401.1064       75.73980 401.1064       75.73980 0.000000       0.000000 127.0927 12.63212 ?        ?        0.000000       12.63212 
1 1 1 12  -9  11 o 113.1377 9.774585 313.8848       52.35255 253.0293       79.21688 361.0742       69.75738 98.77703 17.41059 120.5687 12.27260 -21.79172      21.30130 
1 1 1 12  -9  12 o 137.0118 9.317519 458.8895       60.67015 569.5010       91.29156 371.3930       81.19437 151.3177 12.73737 121.3596 14.26620 29.95803       19.12498 
1 1 1 12  -9  13 o 121.4422 11.45932 365.8530       65.74635 442.2389       125.5530 336.9933       77.17331 128.5011 21.17358 115.3573 14.29902 13.14381       25.54961 
1 1 1 12  -9  14 o 74.91960 19.96459 152.1574       72.79830 -31.09814      190.5114 183.4908       78.77645 63.18597 28.75286 82.18525 20.19572 -18.99928      35.13679 
1 1 1 12  -9  15 f 173.3797 10.48712 741.1794       86.52218 903.7653       222.9631 712.3555       93.87893 177.5764 27.12152 169.3532 11.66616 8.223236       29.52416 
1 1 1 12  -9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -9  17 o 79.11598 22.43571 176.2962       88.75204 388.0134       308.5082 157.1934       92.66953 102.3677 41.16905 74.76259 23.36307 27.60506       47.33628 
1 1 1 12  -9  18 o 58.33324 21.67772 82.33878       80.63047 320.7204       319.1750 66.08878       83.33337 94.84759 40.31421 55.64589 21.70450 39.20170       45.78560 
1 1 1 12  -9  19 o 40.03651 17.63211 -4.652323      65.56685 -382.7026      199.9897 40.87665       69.40278 45.77470 22.81386 48.37550 19.50145 -2.600796      30.01297 
1 1 1 12  -9  20 o 116.9556 17.89916 370.4726       96.90473 712.0601       360.0715 343.7999       100.6170 117.8761 45.35003 111.3266 19.62111 6.549561       49.41268 
1 1 1 12  -8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -8  7  o 96.92780 12.60134 233.4405       57.01367 233.4405       57.01367 0.000000       0.000000 96.92780 12.60134 ?        ?        0.000000       12.60134 
1 1 1 12  -8  8  o 130.1232 12.55583 417.9206       77.14139 417.9206       77.14139 0.000000       0.000000 130.1232 12.55583 ?        ?        0.000000       12.55583 
1 1 1 12  -8  9  o 233.4861 8.774179 1320.349       97.76930 1320.349       97.76930 0.000000       0.000000 233.4861 8.774179 ?        ?        0.000000       8.774179 
1 1 1 12  -8  10 o 28.80308 13.89757 -85.76705      57.41654 -85.76705      57.41654 0.000000       0.000000 28.80308 13.89757 ?        ?        0.000000       13.89757 
1 1 1 12  -8  11 o 71.95227 12.41443 130.1711       41.16253 196.3144       74.55756 101.1710       49.36833 86.77158 18.53554 62.57278 16.33149 24.19881       24.70392 
1 1 1 12  -8  12 o 39.57177 15.70336 22.68006       44.28535 29.92665       143.6504 21.91902       46.55276 63.10449 26.94096 40.09196 16.03727 23.01254       31.35298 
1 1 1 12  -8  13 o 101.8756 15.01781 262.3422       70.95365 474.1636       165.6831 214.7701       78.51803 130.9960 27.34012 90.67956 18.73161 40.31641       33.14145 
1 1 1 12  -8  14 o 221.3933 9.236734 1191.216       97.55203 1236.876       204.5522 1177.774       110.9864 219.3970 19.71126 219.5678 10.60422 -0.1708069     22.38266 
1 1 1 12  -8  15 f 64.24853 20.80496 105.7590       72.94923 158.6438       190.2184 96.63979       78.98872 82.56156 32.61422 62.68828 21.67032 19.87328       39.15725 
1 1 1 12  -8  16 o 66.85158 19.42876 118.1819       65.78046 378.2307       157.8355 63.51835       72.36463 114.2907 28.87909 54.60484 20.48743 59.68584       35.40815 
1 1 1 12  -8  17 o 84.48259 18.77302 190.3044       73.85635 0.000000       0.000000 190.3044       73.85635 ?        ?        84.48259 18.77302 0.000000       18.77302 
1 1 1 12  -8  18 o 82.92989 20.43980 187.6622       80.51173 -8.655966      300.1764 202.8799       83.57395 76.62157 35.32042 86.21870 20.56437 -9.597137      40.87084 
1 1 1 12  -8  19 o 49.16816 20.70144 23.93402       82.85278 -169.6694      316.2186 38.20452       85.85204 69.92295 33.44299 51.96465 21.40805 17.95831       39.70816 
1 1 1 12  -8  20 o 45.17642 17.68079 37.23217       55.45342 69.01369       193.9412 34.40252       57.86942 70.44616 30.69124 45.13542 17.93808 25.31074       35.54893 
1 1 1 12  -8  21 o 62.98423 23.80095 98.37543       98.05221 55.10512       350.8114 102.0422       102.1223 79.97284 37.31517 63.98104 24.26435 15.99179       44.51046 
1 1 1 12  -8  22 o 52.69031 22.53357 31.17046       100.8054 81.46266       365.4568 27.02891       104.8739 79.69592 37.47338 52.88146 22.80461 26.81446       43.86690 
1 1 1 12  -8  23 f 46.53765 21.08894 -19.76456      101.1813 -104.6149      225.5687 1.608283       113.2096 59.58802 28.43010 51.05318 22.78753 8.534843       36.43545 
1 1 1 12  -7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -7  8  f 301.7130 7.529497 2190.781       108.6096 2190.781       108.6096 0.000000       0.000000 301.7130 7.529497 ?        ?        0.000000       7.529497 
1 1 1 12  -7  9  o 120.8178 13.84079 361.4059       78.50513 361.4059       78.50513 0.000000       0.000000 120.8178 13.84079 ?        ?        0.000000       13.84079 
1 1 1 12  -7  10 o 117.4702 7.688027 333.7228       42.93960 349.1853       62.47385 319.8775       59.11665 119.4507 11.06536 114.3137 10.95065 5.137039       15.56788 
1 1 1 12  -7  11 o 110.7025 10.32653 299.5680       54.02330 336.0271       143.8638 293.5828       58.28917 111.1562 27.27842 109.3406 11.31386 1.815613       29.53160 
1 1 1 12  -7  12 o 346.4381 8.008705 2894.986       132.6467 3128.639       222.8097 2766.709       165.0909 357.2710 13.06653 337.5667 10.24136 19.70428       16.60179 
1 1 1 12  -7  13 o 44.61480 16.41186 40.57281       46.00898 195.6425       159.8113 26.55847       48.04304 87.04121 30.77189 41.69683 16.41557 45.34438       34.87664 
1 1 1 12  -7  14 o 138.9465 10.68029 472.0857       70.40382 603.5958       187.1723 450.4126       75.98400 149.0869 27.26433 135.3464 11.86248 13.74049       29.73319 
1 1 1 12  -7  15 o 168.1211 11.12372 691.6981       88.90613 779.3986       208.0262 672.0995       98.33962 170.0538 26.44648 165.1933 12.54549 4.860535       29.27124 
1 1 1 12  -7  16 o 83.56992 16.77499 180.1176       64.69099 488.4309       211.0619 148.1504       67.96201 128.9688 33.82053 75.13850 18.93041 53.83032       38.75808 
1 1 1 12  -7  17 o 75.37581 21.30917 150.7250       80.18858 419.4452       257.2373 121.8013       84.39387 116.3811 39.12933 68.85522 22.38374 47.52586       45.07922 
1 1 1 12  -7  18 o 217.4898 11.77456 1162.564       121.9746 1377.437       296.4874 1118.788       133.8240 223.0776 28.44604 212.5815 13.23303 10.49609       31.37340 
1 1 1 12  -7  19 o 67.60841 23.13115 117.0485       89.92496 -48.52810      287.9465 134.9423       94.65942 75.26141 34.65730 71.53397 23.73025 3.727432       42.00302 
1 1 1 12  -7  20 o 134.3599 16.02104 462.1104       100.8876 519.1053       206.2497 444.1840       115.6704 129.6122 33.15464 129.8930 19.20452 -0.2808533     38.31506 
1 1 1 12  -7  21 o 94.30824 18.95644 238.1657       82.50273 -67.80936      184.8567 314.2723       92.19416 59.49317 27.52839 109.0214 18.33848 -49.52820      33.07737 
1 1 1 12  -7  22 o 153.9119 16.82547 614.5268       121.7931 928.5497       209.3000 453.7531       149.7600 181.9631 24.69581 125.5978 25.80425 56.36526       35.71754 
1 1 1 12  -7  23 o 100.8321 27.42205 307.5880       135.6569 502.1530       327.7538 267.3662       149.0206 110.1684 43.02301 92.53271 29.71564 17.63564       52.28765 
1 1 1 12  -7  24 o 46.81208 20.30394 10.78366       84.09552 -62.46980      238.9428 21.14024       89.84377 64.32973 30.26451 49.41685 21.20621 14.91288       36.95462 
1 1 1 12  -7  25 o 105.4672 20.95191 315.7523       101.9204 694.4489       220.3271 212.6550       114.9598 142.5768 32.97940 82.74411 26.04522 59.83269       42.02374 
1 1 1 12  -6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  8  o 252.6964 10.51149 1547.595       126.7134 1547.595       126.7134 0.000000       0.000000 252.6964 10.51149 ?        ?        0.000000       10.51149 
1 1 1 12  -6  9  o 151.3998 9.241705 555.1056       66.57513 555.1056       66.57513 0.000000       0.000000 151.3998 9.241705 ?        ?        0.000000       9.241705 
1 1 1 12  -6  10 o 32.59225 12.33345 18.74672       26.35064 -33.30371      54.77375 34.42086       30.05745 33.65944 15.35552 39.11300 13.37337 -5.453560      20.36269 
1 1 1 12  -6  11 o 96.02482 10.66947 225.8339       48.15583 56.45176       145.2241 246.7595       51.04382 67.74426 27.86927 100.3958 10.80443 -32.65150      29.89033 
1 1 1 12  -6  12 o 196.1043 8.793440 929.1820       82.23338 909.3171       164.9448 935.7526       94.86347 190.6574 18.32100 196.4563 10.13433 -5.798920      20.93714 
1 1 1 12  -6  13 o 214.9044 8.846004 1115.933       90.69250 1253.441       184.2849 1071.986       104.1819 224.4949 17.30362 210.1928 10.39960 14.30211       20.18829 
1 1 1 12  -6  14 o 252.9967 8.874547 1546.724       107.1757 1757.891       214.6901 1476.631       123.6909 266.0240 16.96886 246.6537 10.51330 19.37038       19.96175 
1 1 1 12  -6  15 o 148.6710 12.02678 541.7838       84.75469 0.000000       0.000000 541.7838       84.75469 ?        ?        148.6710 12.02678 0.000000       12.02678 
1 1 1 12  -6  16 o 104.6120 11.82441 269.9639       58.10297 227.4719       139.2454 278.9221       63.93496 91.64893 28.63839 106.0582 12.87236 -14.40927      31.39833 
1 1 1 12  -6  17 o 47.02468 18.76529 31.97245       63.58321 -56.88272      227.3042 39.51535       66.22703 69.59547 31.56602 49.14419 19.29582 20.45128       36.99651 
1 1 1 12  -6  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -6  19 o 159.4003 16.71279 641.0052       125.4725 769.0820       299.3178 613.7010       138.2013 157.4485 39.76098 154.7295 19.08644 2.719055       44.10473 
1 1 1 12  -6  20 o 73.36524 26.33475 132.7825       117.4733 166.1016       302.4010 126.8607       127.4858 92.48058 39.27174 73.30970 27.25523 19.17088       47.80291 
1 1 1 12  -6  21 o 111.3976 15.88475 316.3662       82.20525 531.2310       198.3859 271.8256       90.32468 134.7005 31.38956 101.6541 19.29094 33.04644       36.84352 
1 1 1 12  -6  22 f 102.9723 18.09447 278.0384       85.82952 178.6232       208.1391 298.4072       94.21273 84.44582 33.86582 106.1662 19.27111 -21.72041      38.96498 
1 1 1 12  -6  23 o 170.5657 14.56155 736.2896       117.6083 831.5069       240.6963 706.4271       134.7949 166.1301 31.45635 165.1844 17.32607 0.9457245      35.91232 
1 1 1 12  -6  24 o 88.08559 28.58945 231.4858       137.7062 104.6765       372.3492 251.5783       148.2147 86.23999 39.60221 91.07132 29.66764 -4.831329      49.48236 
1 1 1 12  -6  25 o 75.63672 30.36845 148.3254       167.5742 223.1691       386.4526 130.9939       185.9673 90.54688 41.10447 74.94691 31.24726 15.59998       51.63302 
1 1 1 12  -6  26 o 58.00106 24.61206 50.60999       118.6256 249.2063       241.5885 -12.48475      136.1718 86.36317 35.77742 54.20832 24.52494 32.15485       43.37622 
1 1 1 12  -6  27 o 65.46491 28.48390 77.09908       166.5886 60.88826       228.4258 95.51668       243.4777 69.30182 31.51573 72.60345 32.82576 -3.301628      45.50573 
1 1 1 12  -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -5  9  o 261.4122 10.79683 1655.528       134.6464 1655.528       134.6464 0.000000       0.000000 261.4122 10.79683 ?        ?        0.000000       10.79683 
1 1 1 12  -5  10 o 97.95012 9.844150 233.8954       45.47460 136.5995       104.6691 256.5337       50.48859 74.61971 24.95845 102.5049 10.44837 -27.88517      27.05721 
1 1 1 12  -5  11 o 285.2135 7.743284 1958.205       105.4876 2040.224       171.8522 1908.618       133.6234 289.5463 12.44353 280.9338 9.964563 8.612488       15.94158 
1 1 1 12  -5  12 o 167.1570 8.784800 675.2490       69.95803 882.9495       147.1107 614.5524       79.52574 188.8175 16.46086 159.0658 10.51638 29.75174       19.53341 
1 1 1 12  -5  13 o 231.9030 8.805454 1298.184       97.44889 1254.352       188.5315 1314.163       113.8348 224.6633 17.69544 232.9286 10.24727 -8.265289      20.44835 
1 1 1 12  -5  14 o 186.2862 9.248923 839.2774       82.11454 809.6354       154.4969 850.9476       96.94056 179.9996 18.20302 187.1665 10.88042 -7.166855      21.20692 
1 1 1 12  -5  15 o 74.61765 16.77085 142.3537       58.36775 85.75819       177.5144 149.2141       61.80421 76.01738 30.98898 76.31104 17.33618 -0.2936630     35.50859 
1 1 1 12  -5  16 o 206.8150 10.31551 1037.395       101.6735 1525.485       215.0041 896.8063       115.3911 247.3070 18.31450 191.5399 12.67224 55.76707       22.27120 
1 1 1 12  -5  17 o 310.2859 9.536272 2329.175       141.2971 2348.411       261.1149 2321.210       168.0230 307.0390 17.86527 308.9705 11.39431 -1.931458      21.18958 
1 1 1 12  -5  18 o 78.81213 21.97025 163.0904       85.87206 401.6697       162.9689 71.38850       101.0363 121.0117 28.62068 61.84867 23.96177 59.16308       37.32706 
1 1 1 12  -5  19 o 84.01086 18.26475 182.9505       71.26308 396.4906       178.5785 142.5039       77.71957 118.5919 31.11412 73.82201 21.01525 44.76991       37.54636 
1 1 1 12  -5  20 o 136.7360 19.26644 479.7100       122.4611 596.1005       199.7014 409.5652       155.0315 146.6193 29.51188 122.2074 27.23156 24.41189       40.15606 
1 1 1 12  -5  21 o 124.8543 24.03392 417.5895       138.2561 560.0842       204.0041 296.5495       188.0199 140.3863 31.20409 101.8542 33.42933 38.53217       45.72980 
1 1 1 12  -5  22 o 71.90535 24.65439 131.0625       102.1718 415.5941       202.8047 34.28230       118.2785 118.3303 34.03186 58.97136 24.77595 59.35897       42.09531 
1 1 1 12  -5  23 o 83.34472 25.28725 190.8930       109.5385 422.1364       218.0146 112.8044       126.6906 116.7973 35.72244 70.57736 26.96379 46.21989       44.75644 
1 1 1 12  -5  24 o 65.86538 27.91893 56.27784       152.3650 225.4129       218.1613 -104.7805      212.8886 89.91862 35.10485 62.08974 29.00315 27.82889       45.53606 
1 1 1 12  -5  25 o 90.86842 26.62783 240.3042       123.1110 778.3468       240.1641 48.52931       143.3823 159.0758 32.67305 63.09324 26.92540 95.98260       42.33799 
1 1 1 12  -5  26 o 96.38428 31.41039 291.3607       166.1310 497.2282       247.7338 123.1221       223.9516 118.4219 38.33913 77.97287 33.47098 40.44899       50.89396 
1 1 1 12  -5  27 o 104.0143 26.35648 324.1700       131.2042 670.6890       432.4282 289.0352       137.6952 115.0225 47.77696 96.73597 28.10846 18.28654       55.43215 
1 1 1 12  -5  28 o 85.49850 33.30912 247.5366       196.0811 -104.7242      450.2888 329.9630       217.8172 76.48161 37.36051 94.36719 35.51491 -17.88558      51.54723 
1 1 1 12  -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  9  o 131.7420 9.784662 420.6495       61.18808 0.000000       0.000000 420.6495       61.18808 ?        ?        131.7420 9.784662 0.000000       9.784662 
1 1 1 12  -4  10 o 235.6601 7.535886 1335.694       84.79497 1326.469       134.1335 1341.834       109.4367 233.7413 12.04371 235.7236 9.731651 -1.982346      15.48406 
1 1 1 12  -4  11 o 71.49361 12.06716 127.1017       39.77917 99.94502       91.67722 133.4005       44.15205 66.30116 23.31821 73.05761 13.12318 -6.756447      26.75737 
1 1 1 12  -4  12 o 76.12437 13.46443 144.9044       47.21032 198.8369       115.2234 134.0237       51.75393 87.46421 25.79582 72.75034 15.36257 14.71387       30.02388 
1 1 1 12  -4  13 o 121.0516 10.77144 357.0143       61.68764 303.6555       144.9640 368.8131       68.16760 106.6625 28.05676 122.8349 11.75084 -16.17241      30.41815 
1 1 1 12  -4  14 o 215.1208 9.267695 1117.976       95.09167 1289.265       184.1461 1055.690       111.0427 228.3066 16.99266 208.5300 11.17902 19.77661       20.34013 
1 1 1 12  -4  15 o 161.0796 11.28581 631.5178       86.36246 612.2626       187.1145 636.7300       97.35206 152.6997 26.59669 161.3598 12.72234 -8.660065      29.48291 
1 1 1 12  -4  16 o 245.6740 9.988250 1460.574       117.0713 1448.599       225.2650 1465.005       137.0303 240.4586 19.76943 245.4894 11.70926 -5.030746      22.97688 
1 1 1 12  -4  17 o 167.6770 11.98396 685.8430       95.43537 565.6893       164.4941 746.8081       117.1717 147.6934 24.12829 174.3254 14.18137 -26.63196      27.98724 
1 1 1 12  -4  18 o 103.0329 27.39652 284.7411       137.2725 105.7485       269.3630 347.5361       159.5449 88.97543 37.38593 113.1828 29.26865 -24.20733      47.48011 
1 1 1 12  -4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -4  20 o 135.4112 21.24998 473.2315       133.0450 565.0901       198.3886 398.1526       179.3559 143.5513 29.87999 119.4943 31.09923 24.05707       43.12744 
1 1 1 12  -4  21 o 57.43422 24.53787 15.84520       119.3207 26.36780       188.8210 8.849713       153.9564 70.55677 30.51375 63.25152 27.45297 7.305248       41.04576 
1 1 1 12  -4  22 o 160.3862 18.68964 654.8504       140.6277 663.8895       226.4131 649.1732       179.4356 153.1844 31.95128 156.2016 24.86019 -3.017227      40.48350 
1 1 1 12  -4  23 o 289.1848 14.11825 2068.117       194.6032 2570.685       313.6541 1753.576       248.1378 316.4177 20.85013 261.8916 19.96871 54.52615       28.87001 
1 1 1 12  -4  24 o 47.44519 22.50619 -136.1908      137.3011 -136.4854      218.3807 -135.9982      176.5639 62.44893 29.23723 55.38879 26.04494 7.060139       39.15552 
1 1 1 12  -4  25 o 69.73591 24.98476 121.3538       105.6836 -48.81143      233.1925 165.3389       118.5582 68.99224 31.55394 78.39304 26.56433 -9.400803      41.24699 
1 1 1 12  -4  26 o 65.55051 28.04148 50.97309       156.1901 74.12658       243.0988 34.69614       203.8267 77.30241 34.00094 70.14584 30.98190 7.156570       45.99937 
1 1 1 12  -4  27 o 111.8699 31.03173 387.7988       171.7770 404.0688       266.6737 376.2603       224.5740 106.8819 39.47781 105.6732 36.53901 1.208725       53.79216 
1 1 1 12  -4  28 o 54.65058 23.92373 12.96864       119.0692 382.8636       263.7115 -81.74916      133.4460 102.6287 38.97537 48.93695 22.89299 53.69175       45.20142 
1 1 1 12  -4  29 o 61.27313 25.65965 68.76187       126.2348 230.0599       274.0984 25.34042       142.2146 85.38799 36.84533 58.68095 25.90031 26.70705       45.03781 
1 1 1 12  -4  30 o 53.08635 24.32193 -23.77695      139.3590 182.2971       480.2653 -42.72348      145.6245 84.21041 40.52108 52.60278 24.37259 31.60763       47.28616 
1 1 1 12  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -3  10 o 209.3918 7.174415 1053.724       71.71543 1232.442       111.6695 928.2744       93.55887 225.8377 10.37028 196.0069 10.01723 29.83075       14.41831 
1 1 1 12  -3  11 o 123.8429 8.905815 370.9307       52.37734 467.1714       94.38397 328.1039       62.96178 137.8564 14.53938 115.9632 11.50827 21.89322       18.54276 
1 1 1 12  -3  12 o 184.8175 8.564446 823.3934       75.46894 805.6878       128.4619 832.7248       93.25928 181.2725 14.95588 185.4634 10.56147 -4.190918      18.30909 
1 1 1 12  -3  13 o 125.0556 10.91402 380.5267       64.59923 487.1083       131.3931 346.5515       74.18430 138.9262 20.38880 118.7808 13.29104 20.14540       24.33834 
1 1 1 12  -3  14 o 155.1828 10.27041 583.6734       75.76862 715.3831       155.1239 542.4057       86.83108 169.0607 19.55227 149.1236 12.28820 19.93718       23.09310 
1 1 1 12  -3  15 o 99.80190 13.41733 246.2782       62.39932 191.5130       108.4072 273.4131       76.30793 85.90437 24.93459 104.6392 15.74051 -18.73485      29.48724 
1 1 1 12  -3  16 o 248.9706 10.01089 1498.911       118.9166 1512.607       215.5579 1492.919       142.5751 246.7970 18.40148 247.8305 12.06948 -1.033463      22.00651 
1 1 1 12  -3  17 o 46.76264 19.36489 17.92517       70.73935 123.3711       114.7891 -46.63992      89.82240 73.18662 26.05919 43.62446 19.80884 29.56216       32.73333 
1 1 1 12  -3  18 o 154.2646 15.18969 588.0143       110.5755 661.5231       228.7380 565.5974       126.3156 156.0258 31.74581 150.3173 17.92987 5.708496       36.45925 
1 1 1 12  -3  19 o 245.1557 13.44976 1468.841       157.0355 1652.693       262.3652 1366.209       196.0262 255.7708 21.65935 234.5823 17.60724 21.18852       27.91312 
1 1 1 12  -3  20 o 112.8490 28.89431 344.6636       156.5460 668.0636       340.6182 258.0600       176.2649 148.6013 44.48309 98.58289 32.36810 50.01842       55.01308 
1 1 1 12  -3  21 o 102.8760 21.92236 276.3432       104.5221 168.2605       214.5923 309.9601       119.6780 88.98898 34.79484 108.4287 23.74574 -19.43975      42.12531 
1 1 1 12  -3  22 o 124.3525 25.80845 414.3919       148.4054 286.9694       231.9518 502.7052       193.1025 102.9322 36.99781 134.5778 30.69474 -31.64559      48.07292 
1 1 1 12  -3  23 o 151.6369 17.82560 581.6852       126.7628 508.0920       246.8425 608.0449       147.7307 130.4451 37.55447 153.7003 20.62429 -23.25516      42.84506 
1 1 1 12  -3  24 o 183.6133 22.29061 878.1682       191.6714 1547.131       402.7503 682.2941       217.9332 228.3591 38.24094 156.3314 30.25250 72.02768       48.76047 
1 1 1 12  -3  25 o 71.97131 30.75813 52.11017       187.5875 437.8593       410.7935 -49.52152      210.8559 117.9091 47.47571 67.06250 30.41132 50.84656       56.38077 
1 1 1 12  -3  26 o 199.8244 18.62276 1023.072       175.8619 991.1127       438.9618 1029.182       191.9389 161.6784 50.89463 199.0768 20.45747 -37.39835      54.85227 
1 1 1 12  -3  27 o 63.03064 26.26108 57.58188       131.2212 832.6713       448.4278 -15.00402      137.2280 139.6844 51.26155 56.27246 25.10480 83.41199       57.07887 
1 1 1 12  -3  28 o 117.6687 32.13056 432.5639       185.8031 559.0710       299.8066 353.6751       236.7508 122.3125 42.22145 102.8098 37.32126 19.50266       56.35182 
1 1 1 12  -3  29 o 63.52079 28.66385 -2.792027      184.6055 87.78660       297.5459 -59.47893      235.3870 80.38016 36.31999 66.07930 30.74308 14.30086       47.58444 
1 1 1 12  -3  30 o 53.64864 25.72104 -153.5109      189.5261 -129.2134      305.9823 -168.6355      241.4118 68.10754 32.66063 59.86127 28.78516 8.246273       43.53507 
1 1 1 12  -3  31 o 74.67527 31.84219 150.2596       200.2399 138.5614       324.6436 157.4428       254.3954 79.05737 36.54580 77.54417 34.41252 1.513206       50.19778 
1 1 1 12  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -2  9  o 70.41622 8.432961 120.8303       27.82578 98.83223       42.76669 136.9793       36.64252 62.58330 14.56738 74.67076 10.55846 -12.08746      17.99138 
1 1 1 12  -2  10 o 390.2803 10.07850 3671.407       187.8959 0.000000       0.000000 3671.407       187.8959 ?        ?        390.2803 10.07850 0.000000       10.07850 
1 1 1 12  -2  11 o 173.2593 8.199329 722.8778       67.72504 748.9528       104.2064 703.8102       89.11082 175.5264 12.49956 170.4542 10.99351 5.072235       16.64621 
1 1 1 12  -2  12 o 223.4836 8.014264 1201.419       85.48973 1360.724       138.3573 1103.036       108.7290 236.8927 12.25806 213.6000 10.68111 23.29272       16.25872 
1 1 1 12  -2  13 o 353.4305 7.953127 3001.169       134.3848 2994.848       204.4409 3005.978       178.3228 351.6603 12.17845 352.8721 10.58211 -1.211823      16.13368 
1 1 1 12  -2  14 o 138.8277 11.94518 469.5021       78.51233 389.7528       139.3366 506.6017       95.03573 122.7007 24.60959 143.7602 14.00470 -21.05956      28.31543 
1 1 1 12  -2  15 o 128.1710 14.17676 404.0732       85.42069 472.2996       156.8525 375.3071       101.8488 135.0457 25.22145 122.4361 17.93094 12.60962       30.94576 
1 1 1 12  -2  16 o 253.5052 10.14642 1552.691       122.7242 1718.008       206.9003 1462.954       152.4358 264.4487 16.44622 245.2047 13.05019 19.24400       20.99489 
1 1 1 12  -2  17 o 170.6207 12.47237 709.6526       101.0366 669.3853       153.7089 740.2879       134.0706 163.1732 20.12972 173.0899 16.39693 -9.916702      25.96276 
1 1 1 12  -2  18 o 67.55250 24.81145 97.43841       105.0896 66.70406       202.5609 108.7574       122.9273 77.98250 32.56966 71.86362 26.75466 6.118874       42.14967 
1 1 1 12  -2  19 o 202.1045 15.27679 1005.196       146.5172 935.1226       302.4903 1026.676       167.4745 183.8950 35.69345 203.4164 17.38740 -19.52142      39.70320 
1 1 1 12  -2  20 o 264.7119 13.53068 1711.972       170.6704 1614.187       283.9775 1767.263       213.5384 251.3645 23.91836 267.4259 16.78651 -16.06139      29.22114 
1 1 1 12  -2  21 o 190.2418 19.19261 907.4932       172.1774 807.2023       355.6516 938.1937       196.7736 163.9771 44.31926 192.1978 21.79915 -28.22072      49.39028 
1 1 1 12  -2  22 o 179.2433 15.52046 794.3560       131.6920 959.6724       245.8972 727.8701       155.9410 190.7275 27.78287 169.8792 19.55691 20.84837       33.97588 
1 1 1 12  -2  23 o 150.9121 22.40515 588.3695       156.7522 305.7501       246.0887 781.3292       203.3405 106.3057 38.12102 172.5922 25.40211 -66.28650      45.80916 
1 1 1 12  -2  24 o 193.6136 21.00523 960.6603       191.3222 1921.698       413.6461 699.1117       215.7919 262.0794 33.79937 159.8823 29.31083 102.1971       44.73838 
1 1 1 12  -2  25 o 248.2314 17.89130 1551.363       210.9034 1435.010       437.1248 1586.666       240.7826 213.5778 44.26501 249.2029 20.38794 -35.62509      48.73458 
1 1 1 12  -2  26 o 96.04941 34.07495 255.0645       196.1045 191.5218       441.5780 270.6755       218.8721 103.4289 45.64550 98.67223 35.87491 4.756653       58.05619 
1 1 1 12  -2  27 o 140.4798 23.35446 527.2213       151.3477 725.7106       465.8984 503.8038       160.0268 137.2756 51.87988 135.8914 25.56972 1.384171       57.83884 
1 1 1 12  -2  28 o 68.96239 27.39551 98.41570       134.9187 -161.9247      476.9057 121.0647       140.6651 85.86956 41.07006 72.66465 28.23960 13.20491       49.84200 
1 1 1 12  -2  29 o 167.5802 29.78052 828.0472       229.8539 844.4833       510.3272 823.8644       257.4458 130.8688 52.83709 162.1687 34.27958 -31.29994      62.98291 
1 1 1 12  -2  30 o 116.9780 36.74382 471.7109       228.9177 434.6440       519.3600 480.6486       255.0273 104.3459 47.47929 115.4486 38.96136 -11.10275      61.41881 
1 1 1 12  -2  31 f 74.95555 32.98524 105.8772       229.0570 -219.9557      536.3735 178.5530       253.3174 79.87184 39.36806 81.94273 35.39015 -2.070892      52.93682 
1 1 1 12  -2  32 o 64.20901 30.13352 -36.04351      234.3516 -400.6336      564.2189 39.96959       257.6258 74.05186 37.11721 70.38967 32.54493 3.662186       49.36456 
1 1 1 12  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  -1  9  o 237.2968 6.998810 1351.645       79.31396 1476.088       112.6247 1229.204       111.7146 247.5596 9.533623 225.7143 10.38023 21.84532       14.09394 
1 1 1 12  -1  10 o 175.5213 7.639138 740.7952       63.95010 752.2087       90.38611 729.3548       90.49217 176.3633 10.77113 173.6183 10.95792 2.744995       15.36533 
1 1 1 12  -1  11 o 319.3546 7.498902 2447.727       114.4931 2471.142       165.8117 2426.389       158.2856 320.0003 10.85389 317.1951 10.45202 2.805237       15.06823 
1 1 1 12  -1  12 o 158.0205 10.11236 603.7780       75.99572 728.2620       110.7256 492.9128       104.4934 172.8872 13.50308 141.5031 15.71040 31.38406       20.71594 
1 1 1 12  -1  13 o 259.6562 8.511064 1622.132       105.5124 1789.087       158.9803 1490.701       141.0567 271.7785 12.26707 248.1245 11.92584 23.65395       17.10867 
1 1 1 12  -1  14 o 246.6528 9.368009 1466.167       110.2685 1481.685       170.0076 1454.898       144.8764 246.5791 14.48508 244.9545 12.41142 1.624527       19.07514 
1 1 1 12  -1  15 o 252.3289 11.24630 1540.154       135.3294 1544.546       185.0792 1535.108       198.3820 251.3750 15.47525 250.1586 16.68274 1.216324       22.75516 
1 1 1 12  -1  16 o 334.0984 9.378984 2689.684       149.6610 2898.192       226.8260 2528.927       199.1665 345.2449 13.76986 322.7912 12.93202 22.45370       18.89037 
1 1 1 12  -1  17 o 163.4762 15.28617 656.9385       118.0854 866.8699       187.5614 519.0859       151.9890 185.6864 21.52619 142.5697 23.08742 43.11671       31.56589 
1 1 1 12  -1  18 o 131.2060 14.54392 424.0973       89.70084 312.2418       138.8318 504.2554       117.5259 108.7943 26.85594 142.2769 17.65660 -33.48261      32.14027 
1 1 1 12  -1  19 o 194.9684 16.47645 938.2097       152.1442 1178.988       279.9230 837.2571       181.2546 212.7507 28.21566 182.2290 21.20014 30.52171       35.29263 
1 1 1 12  -1  20 o 138.4512 29.03098 512.0083       186.0122 488.2686       293.5441 527.9371       240.4508 130.5194 41.68473 137.3088 36.14217 -6.789413      55.17131 
1 1 1 12  -1  21 o 143.1443 23.22250 528.3544       153.4835 549.3466       197.3217 496.1985       244.2177 142.8954 29.84759 132.4008 37.10266 10.49460       47.61813 
1 1 1 12  -1  22 o 90.01390 33.41278 188.9160       191.4548 368.8336       312.2460 80.52367       242.3590 116.7858 42.78895 84.01228 35.39091 32.77354       55.52847 
1 1 1 12  -1  23 o 175.9820 20.68308 784.4681       170.6988 781.4507       226.9658 788.3976       259.0035 171.4085 28.71059 169.4535 33.15815 1.955002       43.86070 
1 1 1 12  -1  24 o 137.6095 26.70523 504.3641       169.3541 580.9476       221.9924 397.7379       261.9403 144.4569 32.88395 117.9309 39.48357 26.52600       51.38391 
1 1 1 12  -1  25 f 102.5457 36.23318 288.4289       221.5460 394.1076       390.3973 238.2294       269.0685 117.8084 46.66478 99.13700 38.90289 18.67139       60.75390 
1 1 1 12  -1  26 o 69.44209 31.50047 -56.61242      226.4489 -87.62132      407.1539 -42.72442      272.4804 88.28926 40.85347 76.52858 34.65081 11.76068       53.56944 
1 1 1 12  -1  27 o 66.83158 29.76239 -15.79606      191.9802 -55.93546      261.3321 31.26131       282.9574 73.74310 33.60292 81.85619 36.31134 -8.113091      49.47393 
1 1 1 12  -1  28 o 116.2598 28.52165 381.6494       157.3142 311.4628       281.0220 413.6815       189.8481 103.8743 40.03757 118.6805 32.50752 -14.80611      51.57272 
1 1 1 12  -1  29 f 47.32460 22.73407 -174.0367      149.7238 -243.3363      282.4332 -146.9492      176.5774 65.11366 31.26520 54.04453 25.60334 11.06914       40.41093 
1 1 1 12  -1  30 o 101.3066 31.13103 315.2405       165.3272 728.3080       304.6084 142.7447       196.8433 142.0818 41.95198 78.83322 32.44038 63.24863       53.03157 
1 1 1 12  -1  31 o 70.70493 31.71515 33.96381       222.2139 111.0686       308.5877 -49.08047      320.2527 82.58114 37.18044 74.96068 35.19407 7.620461       51.19577 
1 1 1 12  -1  32 o 113.0863 37.51261 474.8439       236.5457 119.3344       333.1583 836.2524       335.9110 81.65396 37.48293 140.3741 44.56432 -58.72017      58.23185 
1 1 1 12  -1  33 o 122.2529 31.13751 501.4352       182.4629 519.0396       345.1593 494.6077       214.9531 102.6402 42.66347 114.8553 35.53297 -12.21506      55.52264 
1 1 1 12  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0   8  f 459.4300 10.27221 5075.948       225.6272 0.000000       0.000000 5075.948       225.6272 ?        ?        459.4300 10.27221 0.000000       10.27221 
1 1 1 12  0   9  o 246.2586 7.366361 1455.564       86.62920 1406.887       119.2644 1509.929       126.0407 241.6216 10.34841 250.2886 10.55693 -8.666962      14.78304 
1 1 1 12  0   10 o 187.3772 7.945531 844.0206       71.01679 843.7231       97.31782 844.3596       103.8677 186.8766 10.94039 186.8083 11.68847 0.6831360E-01  16.00976 
1 1 1 12  0   11 o 333.3716 7.639306 2666.537       121.7561 2757.296       171.1926 2573.633       173.2034 338.2563 10.59905 326.6554 11.10683 11.60089       15.35258 
1 1 1 12  0   12 o 237.3434 8.619773 1355.007       97.64711 1482.734       139.6220 1232.722       136.6149 247.6267 11.82784 225.5271 12.72200 22.09966       17.37087 
1 1 1 12  0   13 o 61.29108 20.25434 88.68378       68.97868 230.7281       100.7777 -36.51908      94.61489 94.76051 22.56914 46.41890 20.76762 48.34161       30.67019 
1 1 1 12  0   14 o 236.4026 11.44648 1351.666       128.9853 1442.097       183.6278 1263.589       181.2215 242.9116 15.89921 227.0160 16.81666 15.89565       23.14270 
1 1 1 12  0   15 o 135.8346 15.46495 454.3651       98.64443 438.7147       151.3210 465.9309       130.0837 130.4812 25.16938 136.0823 20.64157 -5.601151      32.55107 
1 1 1 12  0   16 f 386.2071 10.90738 3600.872       201.1934 3792.538       400.4929 3536.174       232.6861 390.8929 21.51328 382.0288 12.75780 8.864075       25.01164 
1 1 1 12  0   17 f 84.89436 25.40880 184.1347       111.1403 -48.15877      173.7525 344.9918       144.5881 63.38100 28.26429 114.7674 26.83413 -51.38637      38.97359 
1 1 1 12  0   18 o 526.6269 11.65753 6705.070       293.5066 7150.999       695.2576 6608.364       323.7715 529.7781 27.54467 522.1161 12.97069 7.661987       30.44582 
1 1 1 12  0   19 o 276.3227 14.25182 1862.164       187.6400 2043.601       259.6891 1663.957       271.4258 287.3267 19.01159 257.4931 22.26700 29.83353       29.27900 
1 1 1 12  0   20 o 141.0795 20.84144 504.1294       136.3461 145.0025       160.2343 1446.468       259.5585 81.86846 30.53288 239.2586 22.97327 -157.3901      38.21031 
1 1 1 12  0   21 o 52.74229 25.19370 -212.0817      178.2418 -141.6228      256.5699 -277.8076      247.8026 70.61839 32.58935 62.15236 29.69333 8.466022       44.08809 
1 1 1 12  0   22 o 70.78772 26.25579 106.7147       118.1780 162.8113       179.9213 64.14919       156.7269 85.81389 32.28181 70.71752 29.00692 15.09637       43.39951 
1 1 1 12  0   23 o 158.0796 22.09591 638.7013       162.4365 945.7592       327.8048 538.7645       187.0113 182.2760 38.80751 141.9989 28.53807 40.27718       48.17099 
1 1 1 12  0   24 o 95.38879 27.13883 242.1810       129.6493 -173.7792      205.4921 517.2553       167.1069 59.86657 28.13392 140.2161 25.88125 -80.34956      38.22770 
1 1 1 12  0   25 o 142.4971 33.74891 568.7640       226.3523 791.2531       360.5714 424.0595       290.7891 160.1935 45.15116 121.2010 41.59159 38.99251       61.38801 
1 1 1 12  0   26 o 94.59628 31.15211 241.8283       163.2231 535.6797       376.4317 173.7874       181.1370 130.1472 47.08616 85.89165 32.37342 44.25555       57.14145 
1 1 1 12  0   27 o 71.13529 28.31521 93.05553       144.4081 -82.14871      234.7379 199.7373       183.1707 68.99284 31.59336 88.83301 32.73466 -19.84016      45.49393 
1 1 1 12  0   28 o 85.12358 29.84091 190.4832       150.0565 562.9227       246.3198 -29.30127      189.2213 136.4010 36.89065 65.30946 29.28282 71.09158       47.09993 
1 1 1 12  0   29 o 105.3517 34.89149 329.0337       204.6663 152.0763       263.0223 600.6267       325.8499 88.19917 36.99410 133.3096 44.02065 -45.11046      57.50114 
1 1 1 12  0   30 o 117.5239 29.56345 404.3082       165.9337 719.9780       272.8967 219.1376       209.0103 149.4423 38.08918 89.42666 34.51292 60.01560       51.39968 
1 1 1 12  0   31 o 129.2700 28.77562 493.9846       173.2652 538.3308       284.4987 467.8387       218.4506 121.5235 41.15054 119.1717 35.61186 2.351776       54.42032 
1 1 1 12  0   32 o 212.8129 24.37923 1269.254       243.5704 1479.435       328.4420 1012.406       363.0775 218.4760 32.42704 160.2322 45.35817 58.24385       55.75730 
1 1 1 12  0   33 o 73.41474 30.38758 135.2679       174.0777 195.4415       292.2480 102.1780       216.7185 83.89061 37.07339 73.29604 32.17539 10.59457       49.08862 
1 1 1 12  0   34 o 103.0809 35.14539 406.3284       207.5624 549.0072       477.4042 373.0717       230.4866 97.20618 44.71275 96.61957 36.49572 0.5866089      57.71627 
1 1 1 12  1   0  o 541.7849 10.50731 7054.740       272.1615 0.000000       0.000000 7054.740       272.1615 ?        ?        541.7849 10.50731 0.000000       10.50731 
1 1 1 12  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  1   6  o 316.1058 10.11629 2402.714       152.6871 0.000000       0.000000 2402.714       152.6871 ?        ?        316.1058 10.11629 0.000000       10.11629 
1 1 1 12  1   7  o 227.6018 7.072693 1242.522       76.86729 0.000000       0.000000 1242.522       76.86729 ?        ?        227.6018 7.072693 0.000000       7.072693 
1 1 1 12  1   8  o 61.63779 10.39594 93.77780       29.54635 0.000000       0.000000 93.77780       29.54635 ?        ?        61.63779 10.39594 0.000000       10.39594 
1 1 1 12  1   9  f 118.3439 10.43631 339.2368       58.44308 336.5581       71.98953 344.4149       100.0914 117.4401 13.04130 117.6808 18.39183 -0.2407150     22.54628 
1 1 1 12  1   10 o 296.6909 7.761662 2112.445       110.0004 2164.269       149.3340 2050.970       162.6451 299.8414 10.43328 291.6157 11.68968 8.225708       15.66850 
1 1 1 12  1   11 o 347.3004 7.838094 2893.283       130.1440 2933.820       177.6700 2846.350       191.1738 349.0541 10.65914 343.5615 11.65587 5.492615       15.79483 
1 1 1 12  1   12 o 52.71705 17.94037 62.82511       54.08092 79.62202       63.42635 18.08946       103.5099 58.46384 19.42571 55.61926 23.25977 2.844585       30.30470 
1 1 1 12  1   13 o 227.4486 10.11701 1247.000       109.7377 1422.832       144.9448 1010.853       167.9746 242.4605 12.54680 202.9941 17.47822 39.46638       21.51535 
1 1 1 12  1   14 o 103.7483 18.58266 270.6223       88.78648 230.1507       120.2825 319.0728       131.6063 94.48477 25.87307 111.1230 25.33647 -16.63821      36.21260 
1 1 1 12  1   15 o 136.2459 13.87658 454.1573       89.12851 538.2540       111.2985 303.8122       148.8144 147.9246 15.99161 107.7731 28.46399 40.15150       32.64859 
1 1 1 12  1   16 o 116.0928 14.02543 331.3167       76.26889 304.6186       105.5441 360.4944       110.3364 109.4696 20.92915 119.5952 20.00319 -10.12563      28.95094 
1 1 1 12  1   17 o 207.4279 13.88131 1047.930       136.8670 1082.516       198.0961 1016.340       189.3204 208.7678 20.09538 202.3334 19.82559 6.434448       28.22903 
1 1 1 12  1   18 o 94.88532 19.27685 228.8875       84.46014 306.7612       124.1405 161.7750       115.2444 108.7854 24.46417 80.82059 26.14792 27.96482       35.80795 
1 1 1 12  1   19 o 282.6251 14.74816 1948.536       198.5874 1910.221       273.8311 1991.044       288.4270 277.0899 20.82296 282.5516 21.51330 -5.461670      29.94023 
1 1 1 12  1   20 o 50.96670 22.99685 -52.01541      118.7969 -104.4179      128.7704 247.5010       307.8580 48.89971 22.74639 106.8633 41.70701 -57.96357      47.50655 
1 1 1 12  1   21 o 133.8907 20.16764 453.1382       125.0930 484.1807       158.0014 400.9963       204.7743 136.6057 25.11798 121.2130 33.97714 15.39268       42.25351 
1 1 1 12  1   22 o 258.0838 16.93348 1643.334       207.7829 1685.043       272.6237 1585.525       320.9552 258.4690 22.27934 247.2773 27.62001 11.19171       35.48569 
1 1 1 12  1   23 o 223.5339 16.53014 1234.406       175.4061 1179.354       272.3853 1273.411       229.2721 212.6319 27.43319 224.5301 21.62557 -11.89818      34.93200 
1 1 1 12  1   24 o 94.23082 25.52946 234.9384       117.8427 314.3545       162.8992 147.7520       170.6825 107.6654 30.34898 82.76550 31.37356 24.89994       43.65044 
1 1 1 12  1   25 o 78.51582 28.98874 138.2800       143.7661 218.2881       166.6004 -95.05663      284.5121 92.24982 31.48631 76.83556 35.03115 15.41426       47.10169 
1 1 1 12  1   26 o 99.81713 30.31139 270.0269       157.3425 354.0113       328.1134 244.9469       179.3033 114.5833 43.48426 96.32919 32.66811 18.25406       54.38829 
1 1 1 12  1   27 o 136.1445 29.64921 511.5144       187.5049 566.6559       238.3603 421.9999       303.6977 139.6375 35.60140 118.9573 42.38363 20.68019       55.35189 
1 1 1 12  1   28 o 105.0034 28.93640 307.3277       149.9092 238.1288       240.4494 351.3275       191.7341 96.53394 37.07973 110.4340 33.44492 -13.90001      49.93465 
1 1 1 12  1   29 f 124.7658 30.75505 444.4975       182.2626 202.4146       419.7531 500.7452       202.3319 102.6599 44.92994 131.4959 32.39819 -28.83593      55.39262 
1 1 1 12  1   30 o 140.0454 29.54931 556.8073       191.6151 999.8829       434.1006 449.5876       213.5447 163.8547 50.46165 121.7735 34.88976 42.08125       61.34879 
1 1 1 12  1   31 o 53.63324 25.49685 -154.9018      178.1113 849.0698       447.9731 -343.4100      194.1138 140.9716 51.31373 47.77922 23.57513 93.19243       56.47022 
1 1 1 12  1   32 o 82.25471 36.29124 122.5145       278.9603 371.1948       464.9599 -17.34367      348.6895 102.6822 45.98142 79.34045 37.07994 23.34171       59.06956 
1 1 1 12  1   33 o 75.72752 30.75829 143.3626       174.1249 242.6402       276.1848 77.86773       224.3250 89.44274 37.73478 73.60747 32.50701 15.83527       49.80582 
1 1 1 12  1   34 o 106.0222 37.43274 435.7460       236.4220 425.2387       298.4601 453.4449       387.3607 100.2275 40.42801 98.84573 43.21336 1.381729       59.17617 
1 1 1 12  1   35 o 60.08826 27.78775 -11.02146      187.9567 0.7563262E-02  801.0587 -11.66403      193.3545 83.33003 42.08255 60.63790 28.09157 22.69213       50.59721 
1 1 1 12  2   0  o 172.8946 7.559211 717.7278       62.33263 0.000000       0.000000 717.7278       62.33263 ?        ?        172.8946 7.559211 0.000000       7.559211 
1 1 1 12  2   1  f 332.1163 7.250679 2642.675       115.1270 0.000000       0.000000 2642.675       115.1270 ?        ?        332.1163 7.250679 0.000000       7.250679 
1 1 1 12  2   2  o 370.8924 7.235926 3295.636       128.3070 0.000000       0.000000 3295.636       128.3070 ?        ?        370.8924 7.235926 0.000000       7.235926 
1 1 1 12  2   3  o 316.2151 7.059374 2395.268       106.7228 0.000000       0.000000 2395.268       106.7228 ?        ?        316.2151 7.059374 0.000000       7.059374 
1 1 1 12  2   4  o 95.77380 9.352976 222.1431       42.28059 0.000000       0.000000 222.1431       42.28059 ?        ?        95.77380 9.352976 0.000000       9.352976 
1 1 1 12  2   5  o 142.4700 7.759408 487.8695       52.65239 0.000000       0.000000 487.8695       52.65239 ?        ?        142.4700 7.759408 0.000000       7.759408 
1 1 1 12  2   6  o 410.7047 7.401924 4041.611       145.3392 0.000000       0.000000 4041.611       145.3392 ?        ?        410.7047 7.401924 0.000000       7.401924 
1 1 1 12  2   7  f 165.9561 7.705135 661.4781       60.96701 0.000000       0.000000 661.4781       60.96701 ?        ?        165.9561 7.705135 0.000000       7.705135 
1 1 1 12  2   8  o 40.72052 12.60273 39.75891       27.03711 0.000000       0.000000 39.75891       27.03711 ?        ?        40.72052 12.60273 0.000000       12.60273 
1 1 1 12  2   9  o 416.9013 7.650829 4166.031       152.4931 4066.167       205.2917 4288.963       227.7715 411.2621 10.44952 422.1858 11.29478 -10.92365      15.38715 
1 1 1 12  2   10 o 168.9710 9.510379 687.6209       76.51769 735.2218       97.34078 610.6373       123.7902 174.4091 11.74237 157.9366 16.64435 16.47249       20.36953 
1 1 1 12  2   11 o 307.9012 8.450939 2276.081       124.2836 2434.767       162.7462 2054.056       192.5050 318.0474 10.71844 291.4053 13.85742 26.64206       17.51893 
1 1 1 12  2   12 o 244.7936 10.86327 1444.221       126.8195 1365.068       180.8316 1520.832       177.9040 236.8239 16.06642 250.3223 14.93332 -13.49841      21.93476 
1 1 1 12  2   13 o 477.0448 10.21322 5472.068       232.9326 5592.680       257.8708 4937.408       542.9327 481.9901 11.19066 445.6437 25.59056 36.34641       27.93041 
1 1 1 12  2   14 o 54.55275 18.77174 66.56108       59.24674 80.36633       76.47195 45.83252       93.70539 60.58860 21.29785 57.47903 22.83190 3.109573       31.22330 
1 1 1 12  2   15 o 115.2095 16.71658 329.2950       89.38954 271.6052       139.5756 369.4112       116.3912 102.3404 27.80823 121.0503 20.86477 -18.70988      34.76544 
1 1 1 12  2   16 f 118.7613 21.62634 357.7234       118.2685 424.5788       154.7349 263.7915       183.4117 128.2283 26.12825 101.8826 32.98886 26.34573       42.08266 
1 1 1 12  2   17 o 193.6176 15.38713 916.8621       141.2624 901.8356       185.6584 937.5216       217.6947 190.2811 20.74398 192.7140 24.15729 -2.432892      31.84160 
1 1 1 12  2   18 o 65.41109 24.02007 88.28305       98.48478 192.7684       151.6030 11.99479       129.5415 88.85351 30.03953 60.38941 25.67616 28.46410       39.51757 
1 1 1 12  2   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  2   20 o 73.56737 31.97584 -1.123544      209.4794 6.673604       262.0129 -14.93716      348.7454 81.99677 35.69899 91.46672 40.45646 -9.469948      53.95501 
1 1 1 12  2   21 o 218.3804 22.22252 1199.157       228.7859 1189.802       295.7359 1213.100       361.0575 213.4966 29.78327 210.9371 37.15961 2.559494       47.62226 
1 1 1 12  2   22 o 177.0422 18.52386 780.4258       154.4714 857.2952       204.6626 678.6686       235.4748 183.3193 23.92201 158.8830 32.10575 24.43622       40.03800 
1 1 1 12  2   23 o 186.4469 19.20654 869.2191       168.7569 807.3812       190.4418 1095.311       364.1480 177.9995 22.90933 196.6540 40.09283 -18.65446      46.17654 
1 1 1 12  2   24 o 386.4484 14.15504 3649.521       261.0818 3904.001       327.6757 3207.098       432.0516 397.6058 17.27910 353.4585 25.74404 44.14731       31.00521 
1 1 1 12  2   25 o 144.1790 21.17395 530.3785       141.6073 510.4573       181.7758 561.1314       225.8501 138.1026 28.47758 142.2169 33.73059 -4.114288      44.14437 
1 1 1 12  2   26 o 63.67550 29.65051 -150.1448      219.7041 -307.4478      277.6727 113.2063       359.2793 65.10386 31.19178 98.14476 42.26547 -33.04090      52.52901 
1 1 1 12  2   27 o 55.54134 24.76711 -33.21947      133.3991 -89.59577      170.0191 57.07125       215.1646 58.35088 26.78240 77.75813 33.07709 -19.40724      42.56044 
1 1 1 12  2   28 o 72.73958 29.78504 81.90472       164.8894 35.72254       182.9759 281.4741       380.3676 70.54514 30.26796 108.2431 44.87154 -37.69801      54.12582 
1 1 1 12  2   29 o 207.1332 21.99933 1112.558       214.5272 1326.430       339.3000 970.1203       276.8976 215.5465 34.05551 185.2582 32.44485 30.28833       47.03664 
1 1 1 12  2   30 o 82.72994 31.75145 162.9590       176.2112 191.7214       200.7512 66.41640       367.7950 87.98705 33.85910 91.15202 40.85106 -3.164963      53.05891 
1 1 1 12  2   31 o 63.84037 27.22950 38.61903       146.4985 192.1222       209.6192 -107.9419      204.8243 87.39321 34.32444 61.48970 28.63139 25.90351       44.69814 
1 1 1 12  2   32 o 98.15022 33.62806 298.6129       190.0753 250.5822       224.2631 421.1150       358.1543 92.15932 35.70079 108.4179 44.08458 -16.25859      56.72739 
1 1 1 12  2   33 o 54.24648 25.07329 -62.02407      152.7400 219.8560       220.7729 -320.8128      211.5369 86.87254 34.86492 50.67784 24.92884 36.19470       42.86035 
1 1 1 12  2   34 o 92.26505 31.01055 273.7813       161.5661 185.6028       238.9260 348.0753       219.3102 82.34829 34.93585 99.26034 35.93618 -16.91205      50.11908 
1 1 1 12  2   35 o 68.25607 28.81385 107.7703       161.1928 144.2396       240.7410 78.13338       217.0218 76.13547 33.64709 69.88526 31.34536 6.250206       45.98542 
1 1 1 12  3   0  o 252.1213 7.443285 1524.225       89.62038 0.000000       0.000000 1524.225       89.62038 ?        ?        252.1213 7.443285 0.000000       7.443285 
1 1 1 12  3   1  o 526.6479 7.543219 6644.964       189.9264 0.000000       0.000000 6644.964       189.9264 ?        ?        526.6479 7.543219 0.000000       7.543219 
1 1 1 12  3   2  o 442.4072 7.323413 4688.366       154.8974 0.000000       0.000000 4688.366       154.8974 ?        ?        442.4072 7.323413 0.000000       7.323413 
1 1 1 12  3   3  o 133.7893 8.460322 430.7476       53.83774 0.000000       0.000000 430.7476       53.83774 ?        ?        133.7893 8.460322 0.000000       8.460322 
1 1 1 12  3   4  o 474.6503 7.365073 5396.614       167.1318 0.000000       0.000000 5396.614       167.1318 ?        ?        474.6503 7.365073 0.000000       7.365073 
1 1 1 12  3   5  o 193.0623 7.676816 894.4002       70.71642 0.000000       0.000000 894.4002       70.71642 ?        ?        193.0623 7.676816 0.000000       7.676816 
1 1 1 12  3   6  o 676.0754 10.32117 10971.31       333.6051 0.000000       0.000000 10971.31       333.6051 ?        ?        676.0754 10.32117 0.000000       10.32117 
1 1 1 12  3   7  o 243.0307 7.777825 1416.713       90.25433 0.000000       0.000000 1416.713       90.25433 ?        ?        243.0307 7.777825 0.000000       7.777825 
1 1 1 12  3   8  o 215.3091 8.416796 1113.055       86.47289 0.000000       0.000000 1113.055       86.47289 ?        ?        215.3091 8.416796 0.000000       8.416796 
1 1 1 12  3   9  f 254.5783 9.053658 1556.566       110.0175 1628.474       130.3352 1378.335       205.1928 260.1915 10.49912 237.8022 18.18634 22.38925       20.99940 
1 1 1 12  3   10 o 500.0672 11.02923 6009.783       263.6830 6190.358       614.4308 5969.019       291.9323 501.0152 25.73782 498.0553 12.26016 2.959930       28.50871 
1 1 1 12  3   11 o 193.1711 10.43553 899.0574       96.01736 910.1565       118.1013 877.4175       164.9069 193.9810 12.80630 189.2466 18.46090 4.734421       22.46789 
1 1 1 12  3   12 o 408.3224 10.57075 4009.871       206.1827 4193.837       431.8076 3955.541       234.6615 413.5012 21.92096 405.1558 12.12832 8.345428       25.05244 
1 1 1 12  3   13 o 505.5387 8.545851 6132.280       206.5466 6076.951       274.5046 6204.483       313.5826 502.5099 11.42606 507.1139 12.94474 -4.603973      17.26618 
1 1 1 12  3   14 o 196.2155 12.04321 931.1027       112.4311 968.5629       150.0182 883.1008       169.8199 199.3044 15.87524 189.4328 19.00758 9.871643       24.76513 
1 1 1 12  3   15 o 80.06280 26.36901 154.3645       116.9471 115.8029       144.1823 228.5209       199.9441 76.91536 28.90600 98.40008 34.44963 -21.48472      44.97037 
1 1 1 12  3   16 f 153.6470 18.55430 584.4262       133.5374 646.9763       167.3389 474.7508       221.5836 160.5771 22.40674 133.4938 34.47861 27.08325       41.11979 
1 1 1 12  3   17 o 325.8045 12.06734 2566.019       187.6402 2701.985       233.8913 2320.473       314.3141 333.4426 14.70802 306.0347 21.62169 27.40790       26.15002 
1 1 1 12  3   18 o 100.3377 26.26327 261.7557       127.4314 325.2227       165.1135 168.2637       200.3990 111.1127 30.26773 90.05520 34.02722 21.05753       45.54105 
1 1 1 12  3   19 o 133.1270 41.27623 487.0314       289.8725 487.0314       289.8725 0.000000       0.000000 133.1270 41.27623 ?        ?        0.000000       41.27623 
1 1 1 12  3   20 o 245.9564 17.04904 1485.495       199.2371 1677.002       259.9871 1213.001       310.1248 259.6071 21.12980 215.6415 30.96858 43.96558       37.49028 
1 1 1 12  3   21 f 176.4586 19.30949 775.5226       160.2439 671.2782       200.1639 961.5731       267.4082 161.0030 26.95630 191.6628 30.17982 -30.65988      40.46559 
1 1 1 12  3   22 o 256.5885 16.49253 1617.365       201.2458 1508.346       257.7454 1787.621       322.1016 245.0754 22.23989 264.8541 25.76287 -19.77869      34.03437 
1 1 1 12  3   23 o 265.2635 20.24832 1755.703       254.8474 1871.214       319.9567 1555.244       421.4928 271.0045 24.97560 237.2865 38.47046 33.71805       45.86673 
1 1 1 12  3   24 o 203.7166 18.01423 1031.703       173.6425 809.6306       226.1707 1350.531       270.9990 175.6222 27.86648 229.3809 25.12211 -53.75867      37.51881 
1 1 1 12  3   25 o 81.31680 29.61191 152.5928       149.2048 269.0073       189.3304 -38.19360      242.3764 100.8231 33.56409 74.74023 33.35265 26.08286       47.31752 
1 1 1 12  3   26 o 132.5514 30.99510 479.7717       192.8908 643.1605       310.3148 376.8889       246.2424 147.4821 41.99502 116.1763 38.26312 31.30582       56.81239 
1 1 1 12  3   27 o 82.16122 30.26781 155.7371       156.5857 208.5465       170.7979 -122.5531      392.0814 90.83109 31.83693 87.84602 40.44845 2.985062       51.47492 
1 1 1 12  3   28 o 182.1319 19.59351 840.6770       167.9306 798.0336       216.1147 905.6638       266.7909 173.1976 26.97802 181.2211 31.96081 -8.023483      41.82471 
1 1 1 12  3   29 o 126.1365 32.90567 457.0018       200.4828 -51.19183      321.3732 780.7752       256.5167 81.73284 37.25138 165.4563 33.57712 -83.72344      50.15065 
1 1 1 12  3   30 o 110.3148 32.70623 353.2483       184.8293 237.2107       205.3232 849.0193       424.4039 94.01946 34.65558 153.5007 50.21554 -59.48124      61.01320 
1 1 1 12  3   31 o 46.64185 22.56915 -210.8388      154.1158 -84.93047      195.4677 -417.7111      250.5526 61.87827 28.51618 54.99245 27.06676 6.885811       39.31643 
1 1 1 12  3   32 o 109.3983 31.04213 357.5060       169.8509 356.0566       222.9114 359.5125       262.2707 106.2223 36.41636 105.7851 39.13652 0.4371185      53.45857 
1 1 1 12  3   33 o 77.73131 35.20570 46.64437       281.5243 58.99456       366.5289 28.87581       439.6403 84.36853 38.94087 87.10301 41.00129 -2.734482      56.54642 
1 1 1 12  3   34 o 83.92796 34.36394 199.0874       219.4640 645.4634       379.8204 -24.63424      268.8945 119.8555 46.45242 71.10700 33.00578 48.74853       56.98428 
1 1 1 12  3   35 o 92.88033 37.91798 324.6458       266.2385 494.0983       391.4361 178.7703       363.1853 101.7630 43.97161 84.23411 38.83727 17.52885       58.66717 
1 1 1 12  3   36 o 69.00049 30.39021 100.9399       194.8147 -123.4312      402.3514 169.6499       222.6548 71.16019 34.87753 76.01797 33.00416 -4.857773      48.01788 
1 1 1 12  4   0  o 499.9844 7.519662 5988.491       179.7476 0.000000       0.000000 5988.491       179.7476 ?        ?        499.9844 7.519662 0.000000       7.519662 
1 1 1 12  4   1  o 656.5456 7.886208 10327.53       247.5378 0.000000       0.000000 10327.53       247.5378 ?        ?        656.5456 7.886208 0.000000       7.886208 
1 1 1 12  4   2  o 588.8830 7.733770 8307.405       217.7352 0.000000       0.000000 8307.405       217.7352 ?        ?        588.8830 7.733770 0.000000       7.733770 
1 1 1 12  4   3  o 132.6934 8.715574 423.8306       54.98479 0.000000       0.000000 423.8306       54.98479 ?        ?        132.6934 8.715574 0.000000       8.715574 
1 1 1 12  4   4  o 69.64050 10.81372 119.1313       34.83625 0.000000       0.000000 119.1313       34.83625 ?        ?        69.64050 10.81372 0.000000       10.81372 
1 1 1 12  4   5  o 232.8919 8.459900 1301.520       94.03851 0.000000       0.000000 1301.520       94.03851 ?        ?        232.8919 8.459900 0.000000       8.459900 
1 1 1 12  4   6  o 274.3979 7.500796 1804.826       98.30801 0.000000       0.000000 1804.826       98.30801 ?        ?        274.3979 7.500796 0.000000       7.500796 
1 1 1 12  4   7  o 464.7257 7.576558 5173.480       168.3360 0.000000       0.000000 5173.480       168.3360 ?        ?        464.7257 7.576558 0.000000       7.576558 
1 1 1 12  4   8  o 215.7734 8.259674 1117.433       85.04848 0.000000       0.000000 1117.433       85.04848 ?        ?        215.7734 8.259674 0.000000       8.259674 
1 1 1 12  4   9  o 522.5243 18.52651 6622.441       462.0837 6457.803       650.2508 6790.396       656.7681 512.0410 26.65419 525.3338 26.23280 -13.29279      37.39793 
1 1 1 12  4   10 o 255.8108 9.626230 1572.440       117.5190 1534.839       140.6269 1659.495       213.9753 252.4183 11.68474 261.3461 17.22131 -8.927795      20.81121 
1 1 1 12  4   11 o 439.2606 11.26079 4640.545       236.2878 4227.629       449.9422 4797.786       277.6560 415.3578 22.74504 446.1884 13.03005 -30.83051      26.21295 
1 1 1 12  4   12 o 246.6982 10.48754 1464.700       123.4116 1438.246       150.9910 1517.939       214.2004 244.0163 12.98947 249.5198 18.07849 -5.503464      22.26114 
1 1 1 12  4   13 o 120.4035 15.73516 356.3990       88.41189 241.1936       117.8266 504.8419       133.7478 97.17265 25.16485 142.6044 20.18080 -45.43179      32.25731 
1 1 1 12  4   14 o 171.2700 12.97867 711.2136       105.4811 698.6776       139.7975 727.7846       160.7287 168.7563 17.58499 171.6560 19.95675 -2.899689      26.59894 
1 1 1 12  4   15 o 155.0252 15.03411 586.9078       110.0292 529.4155       126.3222 767.6527       223.9794 146.3555 18.46362 173.5895 27.93616 -27.23399      33.48633 
1 1 1 12  4   16 o 80.12563 21.65011 163.0779       84.88531 115.9924       107.1984 242.2374       138.9939 71.97515 25.22268 97.20953 28.23914 -25.23438      37.86334 
1 1 1 12  4   17 o 129.1071 26.31898 429.6644       156.9369 424.6787       174.0218 451.3805       363.1914 127.5022 29.18060 131.8617 46.40923 -4.359505      54.82084 
1 1 1 12  4   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  4   19 o 45.73266 22.28699 -270.3662      157.5486 -310.7915      174.0948 -87.50821      370.2679 47.43361 23.18369 90.49143 40.73576 -43.05782      46.87094 
1 1 1 12  4   20 o 282.8578 17.60821 1964.797       236.9369 2259.175       297.6825 1455.921       391.3868 301.8574 20.75363 233.4421 36.24346 68.41534       41.76483 
1 1 1 12  4   21 o 294.0404 18.64116 2131.810       260.7036 2244.890       343.2031 1977.548       400.8552 298.6811 24.24274 275.9729 30.91232 22.70819       39.28463 
1 1 1 12  4   22 o 358.7290 16.22330 3151.015       277.5163 3673.313       370.7439 2485.432       418.5194 384.8897 20.21879 310.8716 28.47554 74.01810       34.92357 
1 1 1 12  4   23 o 188.2721 23.29287 899.7027       205.1934 861.2805       233.5134 1029.912       429.8746 182.0340 27.70458 185.8680 48.03224 -3.833923      55.44943 
1 1 1 12  4   24 o 138.6948 28.54343 510.8638       182.9527 413.4583       199.7556 1017.865       455.7341 122.8785 33.21608 181.2092 50.64940 -58.33066      60.56955 
1 1 1 12  4   25 o 263.2375 19.21633 1728.031       240.1732 1641.344       278.2149 1981.594       475.8254 254.1717 23.14897 266.6898 38.42671 -12.51805      44.86075 
1 1 1 12  4   26 o 129.1064 39.43774 479.5668       265.8298 540.4156       329.1191 365.3714       450.8704 134.9699 44.22462 121.6914 49.46976 13.27853       66.35567 
1 1 1 12  4   27 o 67.47243 28.57923 32.93618       159.4617 147.0669       198.9398 -172.1751      266.6952 85.44192 33.47422 69.91912 32.59462 15.52280       46.72187 
1 1 1 12  4   28 f 117.5168 30.17362 379.8772       170.3874 355.0028       220.0096 417.1545       269.3320 112.3311 36.10941 120.0839 40.03354 -7.752777      53.91265 
1 1 1 12  4   29 o 57.86111 26.58255 -85.22256      168.0307 -83.96572      217.9227 -87.06542      263.8811 66.56304 30.46569 73.03602 33.46441 -6.472977      45.25511 
1 1 1 12  4   30 o 82.75792 33.49540 135.7130       205.6569 379.2872       230.5643 -812.4529      454.9027 112.9626 37.01559 69.82922 34.73807 43.13340       50.76305 
1 1 1 12  4   31 o 261.4608 18.93872 1741.989       235.1321 1706.677       322.9697 1781.813       342.9862 250.6201 27.40087 254.7190 28.66170 -4.098862      39.65224 
1 1 1 12  4   32 o 107.2962 36.65636 355.3613       225.8139 353.3449       391.1149 356.3695       276.5667 108.0031 45.19323 106.8493 40.05979 1.153778       60.39217 
1 1 1 12  4   33 o 60.27031 27.09353 -15.89085      163.1505 70.58445       201.6346 -179.8551      277.6475 72.72591 31.49191 66.22880 31.58273 6.497116       44.60055 
1 1 1 12  4   34 o 106.7557 34.83979 381.9037       204.3516 338.8217       226.2548 572.6534       476.0818 99.84421 36.44860 111.3062 48.29326 -11.46200      60.50404 
1 1 1 12  4   35 o 51.86135 24.25589 -77.03596      149.6761 -67.62550      213.3856 -86.15044      210.0029 61.77028 28.91349 60.28729 28.36579 1.482986       40.50441 
1 1 1 12  4   36 o 97.19099 30.97462 325.4880       162.1487 413.4940       236.5576 247.4940       222.6955 100.9871 37.20270 83.97088 34.52451 17.01624       50.75414 
1 1 1 12  5   0  o 293.6885 6.104297 2064.597       85.70990 2017.639       140.3087 2092.552       108.2560 289.8120 10.14214 295.4565 7.670393 -5.644501      12.71605 
1 1 1 12  5   1  o 550.1727 9.959021 7260.670       261.9534 0.000000       0.000000 7260.670       261.9534 ?        ?        550.1727 9.959021 0.000000       9.959021 
1 1 1 12  5   2  o 466.4180 9.425025 5216.056       210.1678 0.000000       0.000000 5216.056       210.1678 ?        ?        466.4180 9.425025 0.000000       9.425025 
1 1 1 12  5   3  o 233.3004 8.196885 1305.631       91.28455 0.000000       0.000000 1305.631       91.28455 ?        ?        233.3004 8.196885 0.000000       8.196885 
1 1 1 12  5   4  o 455.2979 16.50005 5006.775       358.5671 0.000000       0.000000 5006.775       358.5671 ?        ?        455.2979 16.50005 0.000000       16.50005 
1 1 1 12  5   5  o 101.4793 10.48369 249.6779       50.13132 0.000000       0.000000 249.6779       50.13132 ?        ?        101.4793 10.48369 0.000000       10.48369 
1 1 1 12  5   6  o 644.5380 7.935414 9951.827       244.5268 0.000000       0.000000 9951.827       244.5268 ?        ?        644.5380 7.935414 0.000000       7.935414 
1 1 1 12  5   7  o 254.4087 8.357117 1552.589       101.5096 0.000000       0.000000 1552.589       101.5096 ?        ?        254.4087 8.357117 0.000000       8.357117 
1 1 1 12  5   8  o 308.7798 8.774513 2287.258       129.4016 0.000000       0.000000 2287.258       129.4016 ?        ?        308.7798 8.774513 0.000000       8.774513 
1 1 1 12  5   9  o 142.6034 12.84355 492.9717       86.62628 607.3404       104.6246 243.6444       154.4776 158.2210 13.97477 98.86538 30.03658 59.35560       33.12840 
1 1 1 12  5   10 o 298.3680 9.121117 2136.911       129.9566 1980.300       162.5875 2413.987       216.2595 286.7952 11.88362 316.2018 14.34283 -29.40659      18.62625 
1 1 1 12  5   11 o 310.7422 11.73666 2324.530       174.0492 2160.552       257.9194 2461.639       235.8446 298.0893 18.18446 318.9648 15.51240 -20.87552      23.90208 
1 1 1 12  5   12 f 241.8726 10.96117 1408.577       126.4217 1423.330       156.6547 1381.025       214.0786 242.6803 13.55595 237.7893 18.98861 4.891006       23.33091 
1 1 1 12  5   13 o 90.22515 20.15254 205.7897       84.73225 187.7168       91.45895 315.2712       225.1033 86.04113 22.11423 112.4260 36.55745 -26.38490      42.72570 
1 1 1 12  5   14 o 160.8812 14.46711 629.9403       110.0873 600.4689       123.3155 745.6229       244.3158 156.5657 16.73367 170.2786 31.15907 -13.71286      35.36811 
1 1 1 12  5   15 o 246.3886 13.72424 1469.968       161.0267 1444.852       199.2428 1517.269       273.4283 243.3733 17.23535 247.3888 23.39622 -4.015518      29.05926 
1 1 1 12  5   16 o 247.7267 14.66464 1489.955       172.9040 1464.361       231.9217 1521.982       259.4308 243.9552 20.06199 247.9935 22.11300 -4.038345      29.85747 
1 1 1 12  5   17 o 116.6480 39.38516 345.5228       260.6057 0.000000       0.000000 345.5228       260.6057 ?        ?        116.6480 39.38516 0.000000       39.38516 
1 1 1 12  5   18 o 369.6227 17.31924 3338.074       305.2014 3531.965       393.8560 3046.656       482.8553 377.8116 21.89874 346.0797 29.46303 31.73184       36.71001 
1 1 1 12  5   19 o 288.5847 18.07947 2044.565       248.1875 2314.171       341.5884 1743.091       361.2133 304.3138 23.66454 260.7228 29.49595 43.59100       37.81563 
1 1 1 12  5   20 o 225.1408 20.51009 1259.027       218.3437 1409.952       252.4517 810.9492       434.9854 237.4673 22.50506 166.1970 50.38426 71.27029       55.18199 
1 1 1 12  5   21 o 229.6469 20.68506 1312.090       224.6730 1317.855       260.0644 1295.128       446.0976 228.5542 24.16590 213.6581 45.09092 14.89613       51.15841 
1 1 1 12  5   22 o 169.1440 22.21482 722.2792       175.3038 928.0829       223.8363 395.7832       281.9310 190.7309 25.16018 121.4018 40.96494 69.32916       48.07454 
1 1 1 12  5   23 o 260.6717 16.98976 1671.899       210.5798 1802.979       283.0241 1509.349       315.1728 268.0527 22.28627 241.9867 27.74372 26.06604       35.58641 
1 1 1 12  5   24 f 126.1332 27.63053 421.1851       162.0007 452.0692       213.7481 379.4998       248.3283 128.2593 34.22400 117.7824 38.40392 10.47683       51.44067 
1 1 1 12  5   25 f 85.85184 33.62194 144.8001       200.6350 411.0811       352.8664 17.58727       243.8965 122.7831 45.40084 79.31928 34.48906 43.46382       57.01519 
1 1 1 12  5   26 o 132.9579 27.78470 471.5201       170.9162 638.4780       230.1927 266.3906       255.1539 152.6706 32.53338 103.4825 38.54196 49.18809       50.43713 
1 1 1 12  5   27 o 204.2340 20.46697 1052.330       197.1534 1148.570       249.3708 891.8929       321.9730 210.6745 25.26173 176.1613 39.23614 34.51318       46.66508 
1 1 1 12  5   28 o 71.84621 30.00547 57.04475       171.9100 -22.23199      209.2792 221.5173       301.4393 70.48342 31.24925 101.2880 40.70864 -30.80462      51.31968 
1 1 1 12  5   29 o 112.9436 31.80643 358.2766       179.0092 297.1512       223.1744 468.5494       299.7557 103.8796 36.39386 124.4924 42.23878 -20.61284      55.75507 
1 1 1 12  5   30 o 118.3763 32.39187 402.3755       188.6079 529.2075       238.5470 190.8691       308.0500 133.3015 36.40944 96.35916 40.19876 36.94237       54.23640 
1 1 1 12  5   31 o 73.40160 34.48249 -164.5992      308.2234 200.7846       392.1072 -755.4797      498.6319 100.7909 43.77855 74.60471 36.98616 26.18615       57.31088 
1 1 1 12  5   32 o 71.72554 30.66327 57.95217       186.5439 15.95145       239.6654 122.5066       297.1256 74.85040 33.29852 88.07377 38.18285 -13.22337      50.66282 
1 1 1 12  5   33 o 72.23137 30.90277 74.30087       189.7281 139.0860       248.3865 -16.44379      293.9685 83.25491 35.48133 76.66548 35.19905 6.589432       49.97897 
1 1 1 12  5   34 o 55.11287 26.94542 -298.3507      235.7158 -340.3395      366.0652 -268.6093      308.0869 68.34964 33.45137 65.03175 31.57178 3.317886       45.99752 
1 1 1 12  5   35 o 103.2611 42.35659 429.7240       334.1909 480.3522       616.5433 408.6605       397.6792 102.2853 48.27240 100.5500 43.87522 1.735283       65.23235 
1 1 1 12  5   36 o 54.32377 26.37113 -196.3705      214.8338 -98.42344      632.0041 -209.1667      228.4366 81.90299 40.77732 55.51396 27.00482 26.38903       48.90858 
1 1 1 12  6   0  o 372.3661 7.460029 3321.025       132.8064 3442.563       184.0702 3189.063       191.8014 378.6634 10.17691 364.3053 11.02499 14.35815       15.00399 
1 1 1 12  6   1  o 497.6277 17.65010 5989.814       419.2488 0.000000       0.000000 5989.814       419.2488 ?        ?        497.6277 17.65010 0.000000       17.65010 
1 1 1 12  6   2  o 103.7929 10.71141 261.2222       52.38977 0.000000       0.000000 261.2222       52.38977 ?        ?        103.7929 10.71141 0.000000       10.71141 
1 1 1 12  6   3  f 321.9211 7.773773 2482.216       119.6437 0.000000       0.000000 2482.216       119.6437 ?        ?        321.9211 7.773773 0.000000       7.773773 
1 1 1 12  6   4  o 39.42690 15.55691 20.83092       43.23495 0.000000       0.000000 20.83092       43.23495 ?        ?        39.42690 15.55691 0.000000       15.55691 
1 1 1 12  6   5  o 366.1396 7.673650 3210.768       134.3251 0.000000       0.000000 3210.768       134.3251 ?        ?        366.1396 7.673650 0.000000       7.673650 
1 1 1 12  6   6  o 807.8627 8.624507 15639.47       333.1043 0.000000       0.000000 15639.47       333.1043 ?        ?        807.8627 8.624507 0.000000       8.624507 
1 1 1 12  6   7  o 290.1782 8.875150 2020.057       122.9810 0.000000       0.000000 2020.057       122.9810 ?        ?        290.1782 8.875150 0.000000       8.875150 
1 1 1 12  6   8  o 40.55313 13.74946 36.63838       31.76214 0.000000       0.000000 36.63838       31.76214 ?        ?        40.55313 13.74946 0.000000       13.74946 
1 1 1 12  6   9  f 158.6911 8.362947 605.1618       63.22437 571.9559       117.6043 618.6601       74.98161 153.1088 16.31739 160.2972 9.831385 -7.188431      19.05029 
1 1 1 12  6   10 o 249.9008 11.68423 1503.763       139.2105 1412.975       188.7742 1611.995       206.1133 241.3489 16.45870 257.7788 16.81620 -16.42984      23.53026 
1 1 1 12  6   11 o 79.93317 23.30997 159.1735       94.54295 119.0705       110.2253 270.7989       183.8967 73.36832 25.58564 104.4693 32.94916 -31.10101      41.71657 
1 1 1 12  6   12 o 95.59882 20.40361 230.4629       90.41322 170.6776       124.9024 296.2740       131.0459 84.17796 27.22050 107.7422 25.78513 -23.56422      37.49438 
1 1 1 12  6   13 o 693.9246 13.13201 11599.63       435.6642 12646.96       1182.807 11435.23       468.6099 707.4056 35.08279 688.5278 14.23579 18.87775       37.86106 
1 1 1 12  6   14 o 44.97625 20.49718 -59.38258      97.27529 144.2229       133.0397 -293.2779      142.5927 80.23710 28.10020 41.52370 20.43395 38.71340       34.74432 
1 1 1 12  6   15 o 81.17002 26.50745 158.5792       118.2844 165.6761       136.6827 137.4121       236.0534 84.05421 28.52226 91.84773 36.31628 -7.793526      46.17783 
1 1 1 12  6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  6   17 o 160.2390 20.67179 639.0344       154.6775 602.7552       168.0528 840.1130       395.6400 154.6869 23.45901 173.2569 46.70883 -18.56999      52.26892 
1 1 1 12  6   18 o 112.7766 32.33259 333.7419       183.3331 340.4655       217.6394 317.3137       340.2002 114.2584 35.81839 117.7362 44.36833 -3.477806      57.02198 
1 1 1 12  6   19 o 145.7293 19.32465 529.2054       131.3223 342.6674       162.8360 876.2338       222.1003 114.1671 29.59222 185.7016 25.70491 -71.53455      39.19748 
1 1 1 12  6   20 o 387.2855 15.74905 3656.820       290.9961 3681.503       346.4360 3597.673       536.2682 387.0079 18.77990 374.5524 30.20346 12.45551       35.56591 
1 1 1 12  6   21 o 256.4644 20.79050 1634.228       252.7340 1728.148       359.9341 1542.887       354.9576 258.9189 29.60888 243.5440 31.20108 15.37489       43.01387 
1 1 1 12  6   22 o 93.39946 32.22573 213.8535       174.6471 351.8529       211.3520 -83.23768      310.1078 114.6613 35.19186 82.57889 37.21751 32.08241       51.22119 
1 1 1 12  6   23 o 456.2697 17.97486 5123.027       391.3315 5367.253       577.6374 4915.848       532.0247 459.5415 26.40305 440.7590 25.35472 18.78250       36.60577 
1 1 1 12  6   24 o 155.7588 31.74057 651.6530       228.3302 725.3881       357.3314 600.7715       296.8344 156.9893 45.18052 145.0028 41.00027 11.98653       61.01067 
1 1 1 12  6   25 o 74.58313 32.48213 5.523757       217.0729 10.04712       347.3341 2.624644       278.0669 91.42545 40.40932 82.82698 36.39983 8.598473       54.38622 
1 1 1 12  6   26 o 381.3962 17.90085 3603.507       325.4954 4301.469       450.4536 2840.860       470.8646 412.2049 22.94807 327.9233 30.37949 84.28162       38.07266 
1 1 1 12  6   27 o 65.86256 28.61316 2.369418       167.5692 130.8403       223.1077 -163.8883      253.8067 86.32267 34.90582 68.45698 31.87421 17.86569       47.26925 
1 1 1 12  6   28 o 168.5339 24.31586 737.1085       190.2634 767.0234       255.5291 699.8882       285.0276 166.6411 33.23983 155.4919 38.53762 11.14925       50.89238 
1 1 1 12  6   29 o 110.7501 32.49461 343.6222       183.2374 318.7746       249.1925 372.8737       270.3753 107.5125 38.38292 114.1730 40.05365 -6.660576      55.47561 
1 1 1 12  6   30 o 71.39277 30.85894 31.87029       192.9140 235.4482       245.9276 -293.7885      311.0451 96.64921 37.40031 68.90807 33.01404 27.74113       49.88697 
1 1 1 12  6   31 o 59.69037 28.93432 -320.8114      256.1862 -438.4414      420.0531 -251.1427      323.2690 75.44293 36.68108 71.48046 34.08480 3.962471       50.07270 
1 1 1 12  6   32 o 198.2301 23.96942 1046.722       222.5544 999.8366       285.2785 1119.627       355.7357 185.2802 33.43561 188.2783 40.70779 -2.998108      52.67888 
1 1 1 12  6   33 o 55.52757 26.88993 -258.8577      219.8674 -277.4914      239.8776 -160.9421      549.8777 57.75430 27.99639 89.97102 43.30967 -32.21672      51.57059 
1 1 1 12  6   34 f 242.1501 34.58308 1843.613       389.0061 2870.306       606.3050 1125.260       507.1535 275.4211 47.77663 148.9887 54.54115 126.4323       72.50755 
1 1 1 12  6   35 o 162.4564 30.37855 810.3924       227.2737 881.4679       382.0444 771.4623       282.7461 140.2534 47.68404 145.8908 39.55289 -5.637482      61.95320 
1 1 1 12  6   36 o 55.06454 26.48793 -156.9352      204.8351 -271.5585      372.0753 -107.0888      245.3640 67.38081 33.12866 62.28159 29.69747 5.099220       44.49099 
1 1 1 12  6   37 o 58.07517 27.66716 -84.49397      211.9885 22.56132       386.4619 -130.5701      253.5364 74.24151 35.87920 60.19361 29.08302 14.04789       46.18592 
1 1 1 12  7   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   8  o 145.2475 27.10257 532.6289       181.2827 0.000000       0.000000 532.6289       181.2827 ?        ?        145.2475 27.10257 0.000000       27.10257 
1 1 1 12  7   9  o 118.9278 17.82731 349.2535       98.24286 385.4750       117.5991 265.5752       178.7420 124.4959 20.46861 103.6144 32.45705 20.88157       38.37218 
1 1 1 12  7   10 o 317.7822 9.778816 2424.969       148.3909 2321.679       187.8472 2596.407       242.0082 310.4522 12.68285 327.7351 15.48921 -17.28287      20.01925 
1 1 1 12  7   11 o 194.1551 13.02743 911.1722       120.2251 954.9052       146.2508 820.0258       211.1366 198.3255 15.54873 181.4004 25.01026 16.92509       29.44955 
1 1 1 12  7   12 o 209.1308 12.16524 1055.451       121.1066 1191.045       160.6618 877.0160       184.3032 221.6272 15.25593 188.7689 20.76430 32.85834       25.76625 
1 1 1 12  7   13 o 318.8869 13.44108 2454.608       204.4580 2818.765       313.5475 2185.219       269.6801 340.0396 19.36712 299.3973 18.93755 40.64233       27.08719 
1 1 1 12  7   14 o 228.1798 15.21368 1263.689       165.0182 1249.040       230.9351 1278.974       235.8857 225.0983 21.72876 227.7374 21.93609 -2.639084      30.87605 
1 1 1 12  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   16 o 313.2179 19.21984 2401.238       286.4233 2401.238       286.4233 0.000000       0.000000 313.2179 19.21984 ?        ?        0.000000       19.21984 
1 1 1 12  7   17 o 279.7728 20.25720 1926.113       269.1176 1926.113       269.1176 0.000000       0.000000 279.7728 20.25720 ?        ?        0.000000       20.25720 
1 1 1 12  7   18 o 258.3528 20.23832 1646.929       247.9809 1646.929       247.9809 0.000000       0.000000 258.3528 20.23832 ?        ?        0.000000       20.23832 
1 1 1 12  7   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7   27 o 64.02713 28.61287 -41.99718      179.0567 -21.70373      222.7594 -79.04825      300.9944 72.84409 32.27080 79.91046 36.27601 -7.066376      48.55259 
1 1 1 12  7   28 o 233.5991 20.31012 1375.500       224.5732 1347.243       291.1671 1416.992       352.8315 226.5002 27.44779 227.7070 33.40290 -1.206757      43.23349 
1 1 1 12  7   29 o 119.6768 32.25041 401.7705       188.6615 351.2603       250.5444 467.9171       286.7137 111.5357 38.59261 125.3192 41.28859 -13.78347      56.51669 
1 1 1 12  7   30 f 186.3978 29.45205 951.7610       253.7527 977.3517       432.1350 938.2931       313.4928 168.2959 50.03805 177.7517 38.03887 -9.455734      62.85509 
1 1 1 12  7   31 o 83.10104 32.79601 153.3974       192.1789 190.5065       256.8733 106.2207       289.6295 91.92336 37.35050 87.57500 37.83228 4.348358       53.16334 
1 1 1 12  7   32 o 86.63168 33.64249 184.8101       199.5239 158.9659       269.9861 215.9096       296.1664 89.19119 37.44991 95.59702 39.60883 -6.405823      54.51014 
1 1 1 12  7   33 o 74.76765 34.30721 -35.24403      278.6923 -366.1437      461.4110 154.8072       349.6835 78.56039 38.25273 91.82969 40.56879 -13.26929      55.75929 
1 1 1 12  7   34 o 78.72523 33.89920 119.0008       231.0773 104.5190       314.6993 135.9441       340.3965 83.50018 37.57459 86.80364 39.06836 -3.303459      54.20504 
1 1 1 12  7   35 o 68.14043 31.42411 -19.12140      237.9602 108.9636       325.6301 -165.9102      348.5956 82.25562 37.49259 71.55381 34.45414 10.70181       50.91937 
1 1 1 12  7   36 o 81.24541 34.95631 192.4255       245.3361 -36.90426      340.6917 439.4381       353.5826 73.40663 34.99993 99.17061 42.30085 -25.76398      54.90316 
1 1 1 12  7   37 o 104.1866 45.09121 676.8027       412.9415 322.0664       629.1346 945.3008       547.3453 86.10145 42.47612 107.0636 48.72593 -20.96212      64.64083 
1 1 1 12  8   0  o 132.7567 9.653353 424.9552       60.85066 388.2556       80.12340 474.9712       93.53698 126.3205 13.47495 139.7386 14.19790 -13.41809      19.57434 
1 1 1 12  8   1  o 607.8895 7.772708 8852.415       225.8943 8682.173       850.9647 8865.321       234.3004 592.4549 30.14238 608.2838 8.056723 -15.82892      31.20054 
1 1 1 12  8   2  o 493.3344 7.989867 5830.729       188.4470 0.000000       0.000000 5830.729       188.4470 ?        ?        493.3344 7.989867 0.000000       7.989867 
1 1 1 12  8   3  o 676.8682 8.218959 10977.06       265.9679 0.000000       0.000000 10977.06       265.9679 ?        ?        676.8682 8.218959 0.000000       8.218959 
1 1 1 12  8   4  o 117.4354 10.20723 333.2970       56.73936 0.000000       0.000000 333.2970       56.73936 ?        ?        117.4354 10.20723 0.000000       10.20723 
1 1 1 12  8   5  o 50.79320 14.31736 63.75257       36.25452 0.000000       0.000000 63.75257       36.25452 ?        ?        50.79320 14.31736 0.000000       14.31736 
1 1 1 12  8   6  o 242.7474 9.509119 1415.091       110.1444 0.000000       0.000000 1415.091       110.1444 ?        ?        242.7474 9.509119 0.000000       9.509119 
1 1 1 12  8   7  o 129.3634 9.023470 403.1018       55.45770 0.000000       0.000000 403.1018       55.45770 ?        ?        129.3634 9.023470 0.000000       9.023470 
1 1 1 12  8   8  o 395.2150 7.766774 3741.792       146.7515 0.000000       0.000000 3741.792       146.7515 ?        ?        395.2150 7.766774 0.000000       7.766774 
1 1 1 12  8   9  o 304.8199 7.818822 2227.561       113.8504 0.000000       0.000000 2227.561       113.8504 ?        ?        304.8199 7.818822 0.000000       7.818822 
1 1 1 12  8   10 o 386.9800 7.666418 3587.901       141.8369 3650.728       204.0509 3529.165       197.2951 389.7409 10.96190 383.2263 10.77914 6.514618       15.37378 
1 1 1 12  8   11 o 313.0355 13.47703 2363.951       201.2229 2413.457       277.1375 2308.752       292.6392 315.0515 18.48063 307.6718 20.00310 7.379730       27.23339 
1 1 1 12  8   12 o 307.6170 10.83559 2276.154       159.1081 2560.679       207.7751 1872.748       247.4027 325.7848 13.36836 277.2114 18.77827 48.57333       23.05074 
1 1 1 12  8   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  8   14 o 33.73606 16.49080 -165.5119      88.16172 -83.56312      130.3814 -234.5439      119.6657 51.53699 23.57954 38.68737 18.97386 12.84962       30.26552 
1 1 1 12  8   15 o 129.9113 22.13969 424.2515       132.5816 209.6653       153.1555 1065.885       264.8349 92.58540 30.15788 205.5280 27.65332 -112.9426      40.91703 
1 1 1 12  8   16 o 223.6468 16.56192 1220.256       175.8283 1449.060       222.0634 835.7485       287.8707 242.9877 19.27322 178.4021 35.00197 64.58562       39.95741 
1 1 1 12  8   17 o 89.01438 25.72543 201.6994       115.6224 219.8199       126.3479 108.3580       286.7612 92.77940 26.91560 94.62837 39.06910 -1.848969      47.44306 
1 1 1 12  8   18 o 156.4829 19.02941 607.2872       139.4409 543.0396       156.1241 860.6265       310.0226 146.6238 23.03017 179.0182 37.42955 -32.39442      43.94724 
1 1 1 12  8   19 o 72.64494 28.48502 87.44755       144.1609 520.7136       217.9080 -249.7723      192.2439 139.7742 33.11963 54.11576 25.93432 85.65848       42.06542 
1 1 1 12  8   20 o 57.46636 24.70736 -0.1088140     122.3955 -23.40008      133.8345 118.9343       302.5685 57.51356 25.26482 96.28372 39.97643 -38.77016      47.29086 
1 1 1 12  8   21 o 243.6199 17.69779 1460.057       204.7239 1280.796       225.3648 2306.380       489.6789 226.7663 21.02682 295.1864 35.40373 -68.42004      41.17707 
1 1 1 12  8   22 o 373.4230 16.85857 3416.839       300.1986 3669.949       403.6655 3103.627       449.0403 383.7137 22.09768 349.1716 27.11140 34.54205       34.97621 
1 1 1 12  8   23 o 210.3001 17.05709 1090.352       170.0246 1183.392       212.4269 924.4966       283.6207 217.6408 20.66309 185.9592 33.11575 31.68159       39.03352 
1 1 1 12  8   24 o 188.5412 19.90851 889.4258       176.7475 941.4233       203.0804 727.0198       358.9037 192.9028 22.43851 157.1221 45.29861 35.78078       50.55147 
1 1 1 12  8   25 o 133.5767 30.48151 481.6048       190.3498 290.9299       226.2760 943.1776       352.0561 105.5353 36.66737 180.8546 41.58627 -75.31924      55.44289 
1 1 1 12  8   26 o 303.3045 18.88598 2290.761       272.4999 2316.263       347.8736 2250.263       438.3807 301.0509 24.37819 289.9935 32.15949 11.05740       40.35504 
1 1 1 12  8   27 o 72.33734 31.91382 -14.15457      215.6939 63.55157       233.5596 -464.5776      562.3158 81.24919 34.50829 91.82721 44.09824 -10.57802      55.99533 
1 1 1 12  8   28 o 63.88020 29.63526 -135.2655      216.3334 128.3116       286.5432 -484.6437      329.9014 92.25863 38.64918 65.79992 32.10690 26.45871       50.24552 
1 1 1 12  8   29 o 61.63340 28.55793 -120.2665      199.9634 -159.0295      250.7288 -52.52256      331.4598 67.59357 31.54149 83.97634 38.10034 -16.38277      49.46212 
1 1 1 12  8   30 o 106.9518 39.65090 323.5164       269.4633 158.7415       430.3862 429.7514       345.5786 102.4033 45.13340 118.6279 44.71476 -16.22462      63.53294 
1 1 1 12  8   31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  8   32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  8   33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  8   34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  8   35 o 89.44654 36.70407 252.9019       251.0690 241.6553       337.5641 266.8262       375.6047 90.42796 39.90846 92.73141 41.44073 -2.303459      57.53277 
1 1 1 12  8   36 o 111.9042 43.19492 578.2151       327.4321 1047.635       584.8545 363.9129       395.1667 119.0076 52.52557 93.75896 42.15535 25.24867       67.34991 
1 1 1 12  8   37 o 70.28272 33.62705 -4.668556      320.3253 -128.2195      364.3077 416.3408       672.4983 68.43089 33.46566 87.80706 43.42771 -19.37617      54.82624 
1 1 1 12  9   0  o 204.8763 10.34558 1010.077       101.0060 1042.823       141.6170 976.1705       144.1034 207.5510 14.36046 200.6345 15.13472 6.916489       20.86343 
1 1 1 12  9   1  o 287.6047 6.918443 1980.867       95.12895 2064.879       143.4194 1914.869       127.1164 293.1475 10.24901 282.3989 9.428439 10.74863       13.92615 
1 1 1 12  9   2  o 465.5859 7.944716 5193.823       176.8425 0.000000       0.000000 5193.823       176.8425 ?        ?        465.5859 7.944716 0.000000       7.944716 
1 1 1 12  9   3  f 494.0199 10.14636 5855.749       239.6421 0.000000       0.000000 5855.749       239.6421 ?        ?        494.0199 10.14636 0.000000       10.14636 
1 1 1 12  9   4  o 140.7353 10.35627 477.8211       69.19302 0.000000       0.000000 477.8211       69.19302 ?        ?        140.7353 10.35627 0.000000       10.35627 
1 1 1 12  9   5  o 397.5487 15.02911 3813.860       285.1341 0.000000       0.000000 3813.860       285.1341 ?        ?        397.5487 15.02911 0.000000       15.02911 
1 1 1 12  9   6  o 95.85460 12.18544 224.3067       54.58177 0.000000       0.000000 224.3067       54.58177 ?        ?        95.85460 12.18544 0.000000       12.18544 
1 1 1 12  9   7  o 646.1819 8.306664 10006.62       256.6196 0.000000       0.000000 10006.62       256.6196 ?        ?        646.1819 8.306664 0.000000       8.306664 
1 1 1 12  9   8  o 238.8737 9.558195 1370.862       108.9369 0.000000       0.000000 1370.862       108.9369 ?        ?        238.8737 9.558195 0.000000       9.558195 
1 1 1 12  9   9  o 185.2483 11.21460 827.3177       98.85699 0.000000       0.000000 827.3177       98.85699 ?        ?        185.2483 11.21460 0.000000       11.21460 
1 1 1 12  9   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  9   11 o 548.6948 11.81520 7239.286       309.9420 7239.286       309.9420 0.000000       0.000000 548.6948 11.81520 ?        ?        0.000000       11.81520 
1 1 1 12  9   12 o 252.4173 12.57757 1537.486       151.3052 1533.019       203.0390 1543.065       226.8995 251.0770 17.01521 251.3724 19.02141 -0.2954102     25.52120 
1 1 1 12  9   13 o 412.9392 11.27012 4103.510       222.2883 4554.829       263.8260 2999.084       412.7091 434.6823 12.70878 348.3276 24.94785 86.35471       27.99837 
1 1 1 12  9   14 o 571.3672 9.543386 7839.362       260.6910 8614.962       356.7260 6950.403       381.9063 598.0052 12.47732 536.0479 14.91651 61.95734       19.44700 
1 1 1 12  9   15 o 143.9694 19.51781 514.1514       130.8846 580.7501       157.8024 367.3349       234.2980 152.3693 22.32455 119.1960 37.13367 33.17328       43.32776 
1 1 1 12  9   16 o 98.54881 26.93458 249.8049       130.4980 240.5378       151.9910 275.7979       254.5500 97.38523 29.83476 108.3621 38.78116 -10.97685      48.92945 
1 1 1 12  9   17 o 110.3328 23.02916 310.9330       117.5452 299.2606       129.1676 367.1780       283.5410 107.6819 25.48844 120.1283 41.07452 -12.44649      48.34022 
1 1 1 12  9   18 o 352.8673 15.05340 3026.846       253.3700 3349.063       368.0770 2736.667       349.2987 368.3644 20.98715 332.2950 22.11276 36.06940       30.48663 
1 1 1 12  9   19 o 87.91179 24.50159 198.5020       106.8124 130.8809       131.2538 331.0892       183.7899 77.17482 27.81959 112.0270 32.45151 -34.85214      42.74377 
1 1 1 12  9   20 o 89.40481 29.30304 199.0027       144.4896 167.7300       212.4397 225.9222       197.0999 91.12850 34.89115 96.99882 34.18431 -5.870316      48.84629 
1 1 1 12  9   21 o 228.5813 16.78312 1282.741       182.1309 1349.095       213.5214 1105.515       348.9545 233.4765 19.30118 201.9454 37.52413 31.53110       42.19711 
1 1 1 12  9   22 o 165.1053 17.68434 675.4340       137.4192 693.7332       171.8684 643.0010       228.8090 165.7067 22.25666 155.2888 31.88785 10.41789       38.88694 
1 1 1 12  9   23 o 101.6234 28.34887 272.5754       142.9195 68.62499       156.1038 1329.258       355.3231 71.63828 29.11363 222.6896 34.48866 -151.0513      45.13393 
1 1 1 12  9   24 o 360.3756 16.35397 3188.839       281.0307 3513.910       385.3688 2819.599       410.7159 374.6983 21.60387 332.1251 26.07507 42.57318       33.86203 
1 1 1 12  9   25 o 111.7286 28.78743 335.1893       154.7235 404.1638       172.7622 55.67539       347.7813 122.3775 29.80847 94.21866 41.07286 28.15883       50.74963 
1 1 1 12  9   26 o 109.4792 26.27075 318.9827       135.7451 230.2509       175.9989 449.2761       213.2710 94.60043 32.36043 126.8997 34.32921 -32.29926      47.17724 
1 1 1 12  9   27 o 179.7615 17.40611 805.3326       147.7219 897.5977       188.3635 657.9296       238.0847 188.0177 21.33165 154.3201 33.25200 33.69766       39.50613 
1 1 1 12  9   28 o 56.94368 26.03719 -79.83305      158.6542 -306.1978      252.2199 68.38000       204.0883 61.04068 29.37027 77.56092 32.56306 -16.52024      43.85163 
1 1 1 12  9   29 o 179.5144 21.04006 824.4013       177.1512 642.1043       200.1116 1484.858       380.8944 154.2446 28.17437 228.9811 35.97853 -74.73651      45.69737 
1 1 1 12  9   30 o 139.3014 34.80367 567.4998       231.1054 363.2755       286.5552 947.4989       390.8822 111.2950 40.95519 169.0456 46.78000 -57.75063      62.17472 
1 1 1 12  9   31 o 128.3497 28.80010 461.9894       172.3701 455.1674       190.7707 492.3236       402.2728 125.4582 31.77618 121.7437 47.62862 3.714493       57.25566 
1 1 1 12  9   32 f 57.67421 27.24833 -156.5794      197.4354 -410.6720      396.7796 -72.96232      227.6150 73.07244 35.55618 67.36608 30.94543 5.706360       47.13663 
1 1 1 12  9   33 o 96.77289 36.82466 280.6884       235.6992 312.4786       323.6996 244.8125       343.8723 101.3534 41.64252 96.89272 41.53178 4.460663       58.81316 
1 1 1 12  9   34 o 47.75715 24.00041 -577.1996      243.7078 -683.6929      339.9123 -464.5485      349.6016 57.06618 28.63249 63.39796 31.34748 -6.331779      42.45567 
1 1 1 12  9   35 o 71.01721 33.54189 -69.80869      298.7435 -327.3516      550.3209 37.79678       355.7201 79.32013 39.24020 80.01362 37.41328 -0.6934891     54.21759 
1 1 1 12  9   36 o 82.11835 36.33255 195.9119       281.4765 83.60287       327.7342 511.6650       549.5261 77.54421 36.14370 97.55915 45.89729 -20.01494      58.42028 
1 1 1 12  9   37 o 78.85532 36.24909 193.3313       313.0938 152.4384       348.7276 363.3094       710.9825 77.66800 36.54658 86.13554 42.94315 -8.467537      56.38942 
1 1 1 12  10  0  o 612.3913 21.52998 9148.613       629.3682 9350.535       889.6676 8946.334       890.4550 613.0167 30.45150 599.0064 31.20124 14.01031       43.59829 
1 1 1 12  10  1  o 302.5751 6.948682 2192.775       100.5180 1932.635       150.9130 2400.213       134.7620 283.4077 11.15980 316.2389 8.922330 -32.83112      14.28808 
1 1 1 12  10  2  o 153.0199 10.99789 565.2656       79.92075 0.000000       0.000000 565.2656       79.92075 ?        ?        153.0199 10.99789 0.000000       10.99789 
1 1 1 12  10  3  o 427.9291 9.541941 4393.030       195.2167 0.000000       0.000000 4393.030       195.2167 ?        ?        427.9291 9.541941 0.000000       9.541941 
1 1 1 12  10  4  o 488.2714 11.01819 5725.855       257.2052 0.000000       0.000000 5725.855       257.2052 ?        ?        488.2714 11.01819 0.000000       11.01819 
1 1 1 12  10  5  f 55.72990 14.99099 77.42757       40.80830 0.000000       0.000000 77.42757       40.80830 ?        ?        55.72990 14.99099 0.000000       14.99099 
1 1 1 12  10  6  o 104.2854 13.80490 266.3558       67.13911 0.000000       0.000000 266.3558       67.13911 ?        ?        104.2854 13.80490 0.000000       13.80490 
1 1 1 12  10  7  o 290.8559 12.39513 2038.161       171.9651 0.000000       0.000000 2038.161       171.9651 ?        ?        290.8559 12.39513 0.000000       12.39513 
1 1 1 12  10  8  o 238.9285 9.323337 1371.484       106.2951 0.000000       0.000000 1371.484       106.2951 ?        ?        238.9285 9.323337 0.000000       9.323337 
1 1 1 12  10  9  o 222.9105 11.58428 1197.588       123.0312 0.000000       0.000000 1197.588       123.0312 ?        ?        222.9105 11.58428 0.000000       11.58428 
1 1 1 12  10  10 o 268.2244 8.203528 1726.377       105.0743 1514.100       214.5731 1793.336       120.5123 249.2835 18.12807 273.2429 9.238451 -23.95938      20.34639 
1 1 1 12  10  11 f 422.3184 7.539382 4274.331       152.2243 4252.880       240.5823 4288.652       196.5783 420.2716 11.98586 422.6668 9.728124 -2.395172      15.43688 
1 1 1 12  10  12 o 177.9499 14.44993 769.2820       121.8770 804.6401       146.1507 688.5554       220.8334 181.4642 17.04578 164.2739 29.18759 17.19037       33.80050 
1 1 1 12  10  13 o 321.0317 11.07337 2481.541       169.7014 2286.158       201.5049 2958.157       314.7214 307.5136 13.74077 348.1849 18.97811 -40.67133      23.43027 
1 1 1 12  10  14 o 542.3450 11.62238 7081.536       301.3554 7140.278       333.0732 6816.428       707.5806 544.1772 12.80239 522.2411 28.44720 21.93616       31.19526 
1 1 1 12  10  15 o 204.0023 14.51296 1011.607       140.6223 1009.226       205.2646 1013.713       193.0379 201.7554 21.61706 202.6660 20.19131 -0.9106140     29.58016 
1 1 1 12  10  16 o 79.88754 24.37678 159.3039       101.5979 46.08304       146.1509 265.1824       141.3326 68.00360 27.96511 101.3191 28.16396 -33.31551      39.68950 
1 1 1 12  10  17 o 240.2072 12.86593 1398.002       147.2137 1309.628       192.9801 1521.014       227.6796 231.1156 17.59755 248.5517 19.31158 -17.43607      26.12683 
1 1 1 12  10  18 o 62.07166 23.30490 73.64280       93.67076 97.41850       113.1441 21.84404       167.0033 69.34916 25.69640 68.88537 29.21547 0.4637909      38.90821 
1 1 1 12  10  19 o 111.2540 21.09172 314.6201       108.0808 416.7700       133.3887 119.3576       184.4205 127.9795 22.62826 82.29049 32.23251 45.68899       39.38239 
1 1 1 12  10  20 o 237.3318 16.83928 1381.889       189.8271 1525.082       234.1714 1107.457       324.1836 248.1499 19.90519 204.1637 34.43658 43.98622       39.77555 
1 1 1 12  10  21 o 309.2080 14.76440 2330.156       217.6298 2260.284       291.2369 2418.509       327.4938 301.9730 20.29075 311.3620 22.14485 -9.389069      30.03513 
1 1 1 12  10  22 o 146.0419 18.34140 531.8066       125.2441 544.9207       155.2220 507.3400       212.0168 146.2260 22.95899 137.0903 32.79046 9.135757       40.02911 
1 1 1 12  10  23 o 83.64363 26.07737 178.1306       115.5243 239.3787       140.3152 49.25244       203.5392 95.65287 28.53089 76.85300 32.40714 18.79987       43.17678 
1 1 1 12  10  24 o 308.7422 15.91687 2340.240       234.1496 2982.832       316.3407 1561.580       348.2263 346.6570 19.16194 243.4112 30.59797 103.2458       36.10285 
1 1 1 12  10  25 o 118.5278 24.12113 367.1194       132.0318 411.4880       165.7999 290.2141       218.2850 123.8572 28.58047 104.8621 36.03358 18.99503       45.99198 
1 1 1 12  10  26 o 303.0759 17.11856 2273.037       247.0345 2604.326       319.0918 1777.437       390.2813 321.8800 20.84758 256.8286 32.51269 65.05136       38.62249 
1 1 1 12  10  27 f 122.8926 24.73736 397.3140       140.3050 428.6142       181.2635 350.5322       221.6027 125.2042 30.55521 112.3761 36.25055 12.82802       47.41016 
1 1 1 12  10  28 o 70.28616 29.59629 46.82042       169.3797 104.5638       290.6801 17.13462       208.4196 90.47665 38.46508 73.43896 31.90767 17.03769       49.97662 
1 1 1 12  10  29 o 102.9700 28.28490 291.2518       143.4959 308.2922       190.5499 268.9287       218.0956 104.7863 33.59730 99.92545 35.88082 4.860840       49.15498 
1 1 1 12  10  30 o 163.0358 22.63897 695.8760       171.7059 650.0978       192.8091 871.3310       377.4685 154.7500 27.04479 161.6071 46.41332 -6.857040      53.71794 
1 1 1 12  10  31 o 132.7775 27.76141 489.8751       170.5483 311.1024       190.7825 1201.094       380.5307 103.3235 33.65945 194.4837 42.14528 -91.16019      53.93684 
1 1 1 12  10  32 o 40.35381 20.07137 -337.6989      151.5984 -377.9949      165.2209 -123.1228      381.2628 41.61543 20.74013 81.63293 38.34993 -40.01751      43.59897 
1 1 1 12  10  33 o 63.54370 27.03323 47.60183       143.7435 30.68384       179.4580 77.88551       240.1002 66.89723 29.32532 77.52609 33.95411 -10.62886      44.86486 
1 1 1 12  10  34 o 116.6877 33.68879 444.8167       198.3777 635.1479       319.7877 325.7546       252.9259 126.2154 43.60403 97.85391 37.91177 28.36149       57.78074 
1 1 1 12  10  35 o 70.47348 28.22038 122.1612       144.3066 163.1358       196.6470 74.34718       212.4259 78.41915 32.36267 71.57198 31.61949 6.847176       45.24527 
1 1 1 12  10  36 o 76.69155 29.55735 180.9081       153.1462 604.6285       208.6694 -313.7783      225.4675 132.5711 33.04200 51.16582 25.27624 81.40527       41.60123 
1 1 1 12  10  37 o 110.9244 34.92649 483.5091       206.7126 1600.828       364.6394 -45.60734      250.9289 200.8271 39.38605 63.21115 30.11037 137.6159       49.57716 
1 1 1 12  11  0  o 71.43786 13.00164 126.6776       42.76993 125.9490       51.94530 128.2113       75.36383 70.82558 15.74826 71.75577 20.77886 -0.9301910     26.07238 
1 1 1 12  11  1  o 151.3218 7.886069 550.3521       56.85506 642.3528       88.16249 484.8490       74.39075 163.0699 11.37983 141.6088 11.07611 21.46115       15.88019 
1 1 1 12  11  2  o 561.0078 19.54556 7656.783       523.4335 0.000000       0.000000 7656.783       523.4335 ?        ?        561.0078 19.54556 0.000000       19.54556 
1 1 1 12  11  3  f 164.0839 10.41655 649.1426       81.29254 0.000000       0.000000 649.1426       81.29254 ?        ?        164.0839 10.41655 0.000000       10.41655 
1 1 1 12  11  4  o 335.5134 13.21525 2714.946       211.5647 0.000000       0.000000 2714.946       211.5647 ?        ?        335.5134 13.21525 0.000000       13.21525 
1 1 1 12  11  5  o 195.3204 9.383566 917.4439       87.36783 0.000000       0.000000 917.4439       87.36783 ?        ?        195.3204 9.383566 0.000000       9.383566 
1 1 1 12  11  6  o 93.70262 13.18581 215.4910       57.43836 0.000000       0.000000 215.4910       57.43836 ?        ?        93.70262 13.18581 0.000000       13.18581 
1 1 1 12  11  7  f 462.9480 9.700277 5144.060       214.6964 0.000000       0.000000 5144.060       214.6964 ?        ?        462.9480 9.700277 0.000000       9.700277 
1 1 1 12  11  8  o 380.0611 8.331931 3463.491       151.3936 0.000000       0.000000 3463.491       151.3936 ?        ?        380.0611 8.331931 0.000000       8.331931 
1 1 1 12  11  9  o 242.7019 12.33029 1421.338       142.6033 0.000000       0.000000 1421.338       142.6033 ?        ?        242.7019 12.33029 0.000000       12.33029 
1 1 1 12  11  10 o 47.78060 15.58168 53.23093       40.87851 0.000000       0.000000 53.23093       40.87851 ?        ?        47.78060 15.58168 0.000000       15.58168 
1 1 1 12  11  11 o 106.9407 10.79195 277.6703       54.42208 295.9073       89.48506 266.9656       68.55830 109.0862 17.76928 104.2560 14.11708 4.830246       22.69448 
1 1 1 12  11  12 o 313.6918 13.07472 2376.792       195.6550 2826.658       304.7339 2061.279       255.2041 340.3229 18.80236 290.5746 18.46606 49.74823       26.35382 
1 1 1 12  11  13 f 413.4205 16.37535 4150.923       323.0212 4455.146       449.8119 3826.970       464.1684 425.5669 22.18487 392.9303 24.83587 32.63660       33.30149 
1 1 1 12  11  14 o 80.67553 18.82823 164.9128       71.28992 79.00931       83.50227 395.8635       136.9154 61.50497 22.18692 124.7714 23.82105 -63.26641      32.55306 
1 1 1 12  11  15 o 214.0425 13.24539 1110.927       134.8777 1213.477       181.3744 984.0579       201.7385 222.6961 17.16794 199.0461 21.54248 23.65004       27.54662 
1 1 1 12  11  16 o 91.27702 25.05340 213.9227       112.6306 430.4630       181.8912 79.25984       143.4387 128.0894 30.19801 71.59425 28.30894 56.49514       41.39222 
1 1 1 12  11  17 o 179.7184 13.00920 784.9658       111.0202 773.1732       141.6740 803.7302       178.7114 177.3589 16.91269 179.4818 21.23783 -2.122910      27.14930 
1 1 1 12  11  18 o 116.9797 16.15315 339.1332       87.93058 377.6536       107.7726 262.4351       152.0744 122.7958 18.96814 100.5270 29.63167 22.26884       35.18275 
1 1 1 12  11  19 o 224.9525 14.92355 1234.902       159.5912 1361.674       189.2148 922.4249       297.0662 235.5959 16.91133 185.9470 34.69183 49.64891       38.59425 
1 1 1 12  11  20 o 102.9971 26.81916 277.4710       133.3406 294.0232       201.9348 264.6745       177.5533 106.4631 34.62553 101.2974 32.42650 5.165672       47.43844 
1 1 1 12  11  21 o 275.3500 14.46167 1848.533       189.7085 1891.297       252.9480 1793.554       286.8074 276.4617 19.25802 267.4668 22.64163 8.994904       29.72398 
1 1 1 12  11  22 o 68.05556 26.13542 85.73046       119.4393 74.35629       129.5471 150.2041       308.4315 68.04422 26.90386 98.36234 40.55540 -30.31812      48.66784 
1 1 1 12  11  23 o 54.42435 23.30028 4.754476       107.9940 -1.467404      130.3743 18.35660       192.7678 58.68300 25.36689 72.14655 31.01289 -13.46354      40.06593 
1 1 1 12  11  24 o 255.3145 16.89368 1609.360       205.0497 1818.094       248.1003 1159.489       364.2299 270.1272 19.33897 203.1302 38.92168 66.99699       43.46140 
1 1 1 12  11  25 o 161.7133 18.57213 655.6514       140.9841 443.8200       175.5423 1040.571       236.6309 128.2973 29.26841 200.6729 25.22029 -72.37567      38.63551 
1 1 1 12  11  26 o 64.01389 26.02925 54.79587       124.8596 11.87116       152.3398 142.6452       217.9360 64.04111 27.54971 86.97005 34.72951 -22.92895      44.32973 
1 1 1 12  11  27 o 95.38241 30.15699 242.4285       153.9632 294.7613       169.4115 -5.896937      369.0339 103.9968 31.42550 91.48644 40.96648 12.51039       51.63153 
1 1 1 12  11  28 o 79.03573 31.13931 122.0808       172.9937 -187.8585      284.6030 303.6967       217.8602 71.06771 33.30604 105.1095 36.00242 -34.04178      49.04556 
1 1 1 12  11  29 o 133.2996 24.65174 473.8728       151.3179 479.0763       198.2466 466.6099       234.2141 129.7051 32.13598 125.3235 36.72861 4.381653       48.80279 
1 1 1 12  11  30 o 118.6111 30.57608 400.8854       174.4882 467.3868       197.3308 162.4977       373.6127 127.1011 32.38607 97.85794 42.61641 29.24318       53.52585 
1 1 1 12  11  31 o 93.70612 37.24313 222.1989       249.4643 726.0693       333.2531 -420.0326      376.2362 146.8067 44.01200 70.91588 34.53306 75.89078       55.94273 
1 1 1 12  11  32 o 97.88748 28.40253 274.8962       140.6822 203.4508       177.2798 396.4096       231.1981 86.74699 32.16106 112.0583 37.08310 -25.31133      49.08656 
1 1 1 12  11  33 o 104.5113 33.24031 344.8375       186.8148 473.8966       295.5244 258.9379       241.0985 114.1774 41.65995 92.85773 36.70650 21.31969       55.52404 
1 1 1 12  11  34 o 57.79149 25.76883 1.515633       144.3837 -33.26727      180.7175 62.90218       240.0789 60.45310 27.69700 73.94098 33.08110 -13.48788      43.14491 
1 1 1 12  11  35 o 134.8668 26.61502 541.9908       165.5130 589.4264       212.0017 467.9473       264.8687 132.8839 33.41005 109.0039 39.48874 23.88007       51.72612 
1 1 1 12  11  36 o 86.16487 34.18391 271.2038       209.8018 -309.2952      336.8186 639.2251       268.1833 62.24758 30.77691 122.6322 39.90446 -60.38464      50.39429 
1 1 1 12  12  0  o 249.1065 9.003692 1491.381       107.0531 1474.844       129.6833 1526.756       189.6732 247.3938 10.99190 250.6353 15.91121 -3.241501      19.33878 
1 1 1 12  12  1  o 209.9619 7.654363 1058.237       76.70620 1138.070       110.5837 984.2056       106.4900 217.3279 10.67575 202.0034 11.06890 15.32448       15.37830 
1 1 1 12  12  2  o 258.9642 9.235005 1611.705       114.1535 0.000000       0.000000 1611.705       114.1535 ?        ?        258.9642 9.235005 0.000000       9.235005 
1 1 1 12  12  3  o 180.1604 9.609992 781.4730       82.47392 0.000000       0.000000 781.4730       82.47392 ?        ?        180.1604 9.609992 0.000000       9.609992 
1 1 1 12  12  4  f 81.83757 13.84351 165.8765       52.23417 0.000000       0.000000 165.8765       52.23417 ?        ?        81.83757 13.84351 0.000000       13.84351 
1 1 1 12  12  5  o 200.6956 10.84194 970.9355       103.6425 0.000000       0.000000 970.9355       103.6425 ?        ?        200.6956 10.84194 0.000000       10.84194 
1 1 1 12  12  6  o 109.3264 12.13463 291.1554       62.35791 0.000000       0.000000 291.1554       62.35791 ?        ?        109.3264 12.13463 0.000000       12.13463 
1 1 1 12  12  7  o 399.9701 9.419487 3840.391       180.1205 0.000000       0.000000 3840.391       180.1205 ?        ?        399.9701 9.419487 0.000000       9.419487 
1 1 1 12  12  8  o 111.7871 11.24485 303.5363       59.28157 0.000000       0.000000 303.5363       59.28157 ?        ?        111.7871 11.24485 0.000000       11.24485 
1 1 1 12  12  9  o 185.9908 12.18878 836.5645       107.7855 0.000000       0.000000 836.5645       107.7855 ?        ?        185.9908 12.18878 0.000000       12.18878 
1 1 1 12  12  10 o 643.1620 21.65928 10139.31       665.0475 0.000000       0.000000 10139.31       665.0475 ?        ?        643.1620 21.65928 0.000000       21.65928 
1 1 1 12  12  11 f 174.1240 9.432411 730.3441       78.22854 783.7767       129.9821 699.9987       97.95510 179.3169 15.30817 170.0278 12.13000 9.289078       19.53144 
1 1 1 12  12  12 f 171.0679 9.757455 705.5429       79.47094 660.3157       140.7545 726.7073       96.28639 163.7068 18.29655 173.3069 11.68931 -9.600098      21.71183 
1 1 1 12  12  13 o 263.4367 11.01027 1673.688       138.3643 1671.199       171.1511 1678.384       235.0786 262.6140 13.67896 261.5783 18.92560 1.035675       23.35150 
1 1 1 12  12  14 o 176.0430 13.21541 752.9494       110.4145 822.2398       147.2863 664.0468       166.8334 183.0723 17.02299 162.9062 21.98125 20.16614       27.80212 
1 1 1 12  12  15 o 112.0210 15.52766 310.2017       80.92652 401.5021       99.18823 128.4144       139.9606 127.4205 16.68245 78.02603 28.63766 49.39449       33.14242 
1 1 1 12  12  16 o 112.8835 17.84447 318.3228       93.10645 326.6632       121.9791 306.6803       144.1174 112.8829 23.37223 108.4125 27.70522 4.470390       36.24694 
1 1 1 12  12  17 o 73.97055 25.34798 127.7320       107.9974 207.6967       181.1491 83.63775       134.5173 93.46339 32.78537 70.55124 27.55925 22.91216       42.82981 
1 1 1 12  12  18 f 409.0448 15.94784 4081.032       311.2777 3977.531       432.9063 4191.829       447.9030 399.7267 22.74672 410.2540 22.92736 -10.52737      32.29670 
1 1 1 12  12  19 o 154.7191 19.14021 596.4871       138.5628 816.9712       167.0576 110.3894       248.0500 181.2441 19.59038 89.10130 36.51365 92.14282       41.43705 
1 1 1 12  12  20 o 362.4985 15.75215 3210.554       272.3432 3552.398       372.4588 2817.789       399.2368 378.4393 20.66449 333.9733 25.18974 44.46606       32.58135 
1 1 1 12  12  21 o 478.8918 18.02761 5642.791       412.0101 5267.891       573.8068 6041.782       591.9575 455.2693 26.47689 488.7764 25.41949 -33.50708      36.70390 
1 1 1 12  12  22 o 184.5722 17.72421 844.7442       154.4816 851.8755       176.2663 821.1243       320.7909 184.3276 20.33967 170.4321 40.05191 13.89557       44.92057 
1 1 1 12  12  23 o 80.08080 25.83424 161.5550       112.5467 67.34724       137.9281 349.2592       194.6912 68.21864 27.49503 113.2161 33.56770 -44.99747      43.39087 
1 1 1 12  12  24 o 59.60387 25.31083 17.33804       125.6144 67.06744       135.2359 -295.3127      339.0901 67.57307 27.22871 74.55781 35.36785 -6.984734      44.63505 
1 1 1 12  12  25 o 105.9664 25.17232 297.4461       125.6253 420.5223       154.1894 54.42863       216.6637 125.8840 26.46132 78.30861 33.24713 47.57535       42.49203 
1 1 1 12  12  26 o 59.26916 24.97298 24.12938       120.7160 123.0283       145.2023 -197.2052      217.2213 76.40497 28.94296 60.58184 28.60968 15.82313       40.69654 
1 1 1 12  12  27 o 81.71589 28.00350 167.2677       131.8113 250.1200       160.2389 -6.117382      231.8043 96.52987 30.79473 74.94326 33.07298 21.58661       45.19001 
1 1 1 12  12  28 o 189.4496 22.06736 925.3962       196.1348 874.4064       290.0219 968.3707       266.2530 174.2015 36.01381 187.8508 30.70633 -13.64938      47.32730 
1 1 1 12  12  29 o 154.1948 27.12914 645.6046       192.6935 909.1030       298.8336 458.0686       252.1058 175.4665 36.79979 122.6721 38.56375 52.79434       53.30466 
1 1 1 12  12  30 o 47.45995 22.89801 -203.6361      155.8037 -222.3223      170.7425 -110.6505      380.8807 49.49305 23.90157 83.30114 38.87258 -33.80809      45.63290 
1 1 1 12  12  31 o 90.94052 31.86995 230.6346       171.1478 106.0703       256.9373 329.9854       229.4649 83.43823 35.83473 104.6467 36.88391 -21.20850      51.42520 
1 1 1 12  12  32 o 71.72403 27.52251 121.4157       132.3822 177.7519       163.1502 12.83738       226.4984 81.83227 30.74975 71.66853 32.09314 10.16374       44.44678 
1 1 1 12  12  33 o 82.70846 36.41949 132.4459       279.6369 132.4459       279.6369 0.000000       0.000000 82.70846 36.41949 ?        ?        0.000000       36.41949 
1 1 1 12  12  34 o 123.6693 25.94298 448.2852       148.4843 571.2126       184.7437 223.9750       249.5570 136.8125 29.13799 86.52525 36.14528 50.28728       46.42740 
1 1 1 12  12  35 o 63.16759 28.72437 10.71968       189.7183 170.6666       300.8370 -94.89369      244.4572 81.44731 36.68671 62.89719 29.89216 18.55012       47.32289 
1 1 1 12  12  36 o 68.25993 28.44869 124.0515       154.0639 -96.48228      187.6631 579.9512       269.8211 54.54323 25.99765 112.9131 39.97807 -58.36988      47.68777 
1 1 1 12  13  0  o 352.1711 9.203612 2980.906       154.8275 3012.520       176.5510 2875.635       322.1745 353.7581 10.45037 342.5556 19.75595 11.20245       22.34967 
1 1 1 12  13  1  o 68.32568 11.24594 115.2690       35.45872 105.2057       62.06529 120.1452       43.20377 65.01426 18.86552 69.38742 13.50975 -4.373161      23.20390 
1 1 1 12  13  2  o 242.2788 11.41845 1416.166       131.8886 0.000000       0.000000 1416.166       131.8886 ?        ?        242.2788 11.41845 0.000000       11.41845 
1 1 1 12  13  3  o 562.2582 10.08503 7598.278       271.0948 0.000000       0.000000 7598.278       271.0948 ?        ?        562.2582 10.08503 0.000000       10.08503 
1 1 1 12  13  4  o 364.0614 9.308124 3184.988       161.8784 0.000000       0.000000 3184.988       161.8784 ?        ?        364.0614 9.308124 0.000000       9.308124 
1 1 1 12  13  5  o 283.6836 9.161717 1934.324       124.0936 0.000000       0.000000 1934.324       124.0936 ?        ?        283.6836 9.161717 0.000000       9.161717 
1 1 1 12  13  6  o 308.9526 8.653903 2292.638       127.6981 0.000000       0.000000 2292.638       127.6981 ?        ?        308.9526 8.653903 0.000000       8.653903 
1 1 1 12  13  7  o 293.3857 10.85178 2073.468       151.9495 0.000000       0.000000 2073.468       151.9495 ?        ?        293.3857 10.85178 0.000000       10.85178 
1 1 1 12  13  8  o 144.6517 11.08524 506.4521       76.07733 0.000000       0.000000 506.4521       76.07733 ?        ?        144.6517 11.08524 0.000000       11.08524 
1 1 1 12  13  9  o 173.6041 11.29843 728.6281       93.26547 0.000000       0.000000 728.6281       93.26547 ?        ?        173.6041 11.29843 0.000000       11.29843 
1 1 1 12  13  10 o 316.8255 11.70921 2421.805       177.0550 0.000000       0.000000 2421.805       177.0550 ?        ?        316.8255 11.70921 0.000000       11.70921 
1 1 1 12  13  11 o 287.9099 12.59733 2004.089       172.9781 0.000000       0.000000 2004.089       172.9781 ?        ?        287.9099 12.59733 0.000000       12.59733 
1 1 1 12  13  12 o 274.3787 7.650772 1807.568       100.2628 1882.743       171.4604 1768.505       123.5969 278.9141 12.89322 271.0615 9.552363 7.852600       16.04627 
1 1 1 12  13  13 o 183.7656 8.555327 812.8108       74.95757 688.7718       136.7287 866.1088       89.62643 167.2775 17.34834 189.4874 9.928075 -22.20993      19.98829 
1 1 1 12  13  14 o 330.1987 13.78021 2644.063       217.0621 2521.699       298.6360 2781.112       316.0477 320.1217 19.60682 336.1678 19.75177 -16.04614      27.83091 
1 1 1 12  13  15 o 46.17474 21.11460 -65.11691      104.3582 -75.05812      120.7931 -35.85836      207.2282 49.57760 22.68792 70.80199 31.25694 -21.22438      38.62302 
1 1 1 12  13  16 o 359.4233 12.88131 3128.823       220.9896 3084.688       344.9871 3159.535       287.7856 353.3755 20.50822 359.5607 16.78761 -6.185120      26.50304 
1 1 1 12  13  17 o 61.86811 22.36822 80.91802       84.93159 78.54747       109.1466 84.55656       135.2225 65.51262 25.02766 70.71700 27.62926 -5.204384      37.27948 
1 1 1 12  13  18 o 241.3210 13.44201 1415.815       154.4714 1425.148       211.3529 1405.114       226.3259 240.3236 18.53835 237.9810 20.07940 2.342621       27.32861 
1 1 1 12  13  19 o 158.0740 16.98021 617.8975       126.3157 661.7399       188.2206 581.9710       170.3832 160.5574 25.36162 150.7228 24.48451 9.834610       35.25199 
1 1 1 12  13  20 o 144.3778 16.76442 516.5632       113.5681 572.4147       126.8940 291.7591       254.5811 151.7378 17.83193 108.0257 38.76894 43.71208       42.67327 
1 1 1 12  13  21 o 63.34835 22.63294 88.35441       86.66085 132.9447       99.78070 -48.54900      174.8371 73.74390 24.36000 63.24106 28.26680 10.50284       37.31517 
1 1 1 12  13  22 o 226.9037 13.85252 1258.157       149.5562 1177.916       188.8483 1393.135       244.9326 217.7548 18.30941 235.0102 22.05759 -17.25537      28.66656 
1 1 1 12  13  23 o 75.41114 25.81877 137.4459       112.0403 49.14137       136.2939 321.4883       196.7633 65.50914 26.97937 108.7740 34.05115 -43.26489      43.44384 
1 1 1 12  13  24 o 98.40714 25.31029 256.5910       119.7481 238.3278       147.2987 292.1866       205.6402 94.85883 29.42567 104.4484 34.98420 -9.589600      45.71394 
1 1 1 12  13  25 o 67.25706 26.01333 84.60104       118.9287 39.80324       142.9030 185.5405       214.5080 65.37695 27.33430 91.35322 35.03959 -25.97627      44.44025 
1 1 1 12  13  26 o 199.8825 19.09531 1003.985       180.2623 1055.877       203.6040 815.7974       387.7346 203.9003 21.19516 161.0434 47.27324 42.85684       51.80728 
1 1 1 12  13  27 o 90.48103 27.63312 219.4913       130.5177 270.6843       158.1649 110.2277       231.0697 99.37832 30.43266 84.07772 34.92418 15.30060       46.32327 
1 1 1 12  13  28 f 85.18964 28.62449 191.7791       137.6603 400.2079       166.3016 -261.9151      245.3574 119.7346 29.29545 60.96278 29.23763 58.77178       41.38916 
1 1 1 12  13  29 o 106.7226 37.08467 335.4562       231.4593 504.3748       282.4547 -9.851319      403.8434 126.0731 40.94724 90.36309 41.40167 35.70999       58.23036 
1 1 1 12  13  30 o 49.58687 23.17649 -101.2032      136.2719 -290.2305      168.2941 258.7159       232.2250 45.73875 22.44622 96.70713 36.60959 -50.96838      42.94292 
1 1 1 12  13  31 o 126.3262 26.01344 444.6044       151.8732 431.9472       193.2246 465.0627       245.6561 119.6105 32.80861 119.9565 38.11327 -0.3459854     50.28942 
1 1 1 12  13  32 o 121.7186 31.87607 457.8230       187.6560 612.4726       287.3176 342.7758       247.8140 130.4332 41.19109 101.6905 37.96204 28.74270       56.01626 
1 1 1 12  13  33 o 117.6244 25.82352 403.3353       141.2302 353.9652       172.1392 505.0020       247.0228 105.0397 31.66374 118.2159 38.28500 -13.17620      49.68233 
1 1 1 12  13  34 o 125.6861 36.44064 563.7356       231.6581 680.1921       280.8944 316.0874       409.6178 132.2186 40.56866 93.64114 42.43338 38.57742       58.70612 
1 1 1 12  13  35 o 103.0162 31.22562 367.2443       167.0821 387.3629       181.8404 258.1776       423.3875 103.9228 32.76279 85.69961 40.30818 18.22318       51.94372 
1 1 1 12  13  36 o 37.11557 18.72468 -399.4032      156.2809 -485.8505      166.7462 225.1538       448.1943 36.56706 18.54822 80.54990 38.85640 -43.98283      43.05643 
1 1 1 12  14  0  o 81.32520 9.233472 160.9270       35.26561 95.63157       52.56297 214.3797       47.55798 61.78151 17.17639 93.76192 10.80681 -31.98042      20.29324 
1 1 1 12  14  1  o 65.54646 11.13588 106.2835       33.64928 107.1711       47.21771 105.3676       47.96563 65.20994 15.39417 64.64427 15.68223 0.5656662      21.97528 
1 1 1 12  14  2  o 216.8730 11.13897 1135.609       115.1069 0.000000       0.000000 1135.609       115.1069 ?        ?        216.8730 11.13897 0.000000       11.13897 
1 1 1 12  14  3  o 287.9695 12.67977 2005.105       174.1406 0.000000       0.000000 2005.105       174.1406 ?        ?        287.9695 12.67977 0.000000       12.67977 
1 1 1 12  14  4  o 340.2198 13.64046 2801.969       221.4194 0.000000       0.000000 2801.969       221.4194 ?        ?        340.2198 13.64046 0.000000       13.64046 
1 1 1 12  14  5  o 75.10327 12.59407 139.7016       43.62096 0.000000       0.000000 139.7016       43.62096 ?        ?        75.10327 12.59407 0.000000       12.59407 
1 1 1 12  14  6  o 243.9682 11.95683 1438.373       139.0377 0.000000       0.000000 1438.373       139.0377 ?        ?        243.9682 11.95683 0.000000       11.95683 
1 1 1 12  14  7  o 204.7188 11.06279 1012.148       107.8734 0.000000       0.000000 1012.148       107.8734 ?        ?        204.7188 11.06279 0.000000       11.06279 
1 1 1 12  14  8  o 75.32863 13.35376 141.0940       46.33134 0.000000       0.000000 141.0940       46.33134 ?        ?        75.32863 13.35376 0.000000       13.35376 
1 1 1 12  14  9  o 131.0565 11.09854 416.6382       68.88647 0.000000       0.000000 416.6382       68.88647 ?        ?        131.0565 11.09854 0.000000       11.09854 
1 1 1 12  14  10 o 387.6492 9.463792 3612.799       175.3931 0.000000       0.000000 3612.799       175.3931 ?        ?        387.6492 9.463792 0.000000       9.463792 
1 1 1 12  14  11 f 435.3704 9.710449 4559.108       202.1187 0.000000       0.000000 4559.108       202.1187 ?        ?        435.3704 9.710449 0.000000       9.710449 
1 1 1 12  14  12 o 31.56312 14.78387 -55.45832      55.94301 0.000000       0.000000 -55.45832      55.94301 ?        ?        31.56312 14.78387 0.000000       14.78387 
1 1 1 12  14  13 o 380.8794 10.74420 3498.103       195.4500 3462.802       398.0597 3509.317       224.3571 373.6021 22.38863 380.9664 12.33439 -7.364288      25.56145 
1 1 1 12  14  14 o 177.3167 9.463908 758.4656       79.93784 710.7820       145.9971 778.8810       95.52962 169.5222 18.30383 179.3727 11.19552 -9.850449      21.45623 
1 1 1 12  14  15 o 225.3491 12.52520 1231.439       134.4116 1241.455       178.0357 1218.163       204.9711 225.0462 16.66555 221.8991 19.51971 3.147141       25.66631 
1 1 1 12  14  16 o 401.8331 10.81982 3896.841       207.6725 4164.555       239.5524 3087.026       416.6371 414.9304 12.08871 350.3646 25.03810 64.56577       27.80366 
1 1 1 12  14  17 o 180.9489 13.06458 797.2438       112.2602 821.5856       142.9424 758.0668       181.3431 182.7173 16.54243 173.4024 22.39707 9.314850       27.84386 
1 1 1 12  14  18 o 77.73992 29.33767 122.5065       148.8633 245.5859       189.9247 -73.55800      239.7111 98.80475 33.62026 72.89697 32.79927 25.90778       46.96928 
1 1 1 12  14  19 o 260.6345 13.82392 1655.064       171.6388 1853.853       235.4817 1429.751       250.7002 274.0928 18.07095 238.6159 22.23172 35.47693       28.64976 
1 1 1 12  14  20 o 169.2909 15.16202 704.8293       121.4174 735.7855       162.0334 665.1893       183.3572 171.2064 20.18338 160.8391 24.62781 10.36736       31.84176 
1 1 1 12  14  21 o 87.69621 23.24095 200.4441       98.99500 159.0650       106.7525 454.5124       264.5228 79.26502 25.11754 126.9734 39.44024 -47.70841      46.75920 
1 1 1 12  14  22 o 163.8960 18.19000 671.3059       140.1336 735.0821       186.2138 588.0245       212.7927 169.1790 23.66959 147.3733 31.17629 21.80571       39.14346 
1 1 1 12  14  23 o 225.6186 15.00408 1251.472       160.9229 1554.078       208.2933 803.4230       253.4542 250.3082 17.51627 172.0938 31.98230 78.21440       36.46488 
1 1 1 12  14  24 o 207.9752 17.38168 1075.065       171.2480 1164.764       231.3406 966.3331       254.7041 213.5621 23.02113 190.9689 28.79156 22.59320       36.86362 
1 1 1 12  14  25 o 150.8012 29.94011 616.1050       208.2413 502.7646       254.1424 847.6804       363.2712 131.8007 38.15469 166.5520 44.69464 -34.75131      58.76556 
1 1 1 12  14  26 o 118.0152 30.60466 386.8528       174.1115 349.9930       257.7595 417.7841       236.1226 111.3102 39.10345 119.9705 37.26257 -8.660263      54.01462 
1 1 1 12  14  27 o 169.6227 19.32863 733.6509       153.9514 694.1553       191.1338 806.6056       259.7705 161.2791 25.64632 168.3343 33.45710 -7.055252      42.15579 
1 1 1 12  14  28 o 263.2603 16.81431 1738.668       210.5217 1990.238       274.9095 1381.953       327.3564 278.3188 20.81108 221.8176 31.77494 56.50116       37.98353 
1 1 1 12  14  29 o 86.32822 28.50813 203.5377       136.6597 42.66802       169.7884 499.4710       230.2862 68.25428 29.21829 127.9995 36.08556 -59.74519      46.43141 
1 1 1 12  14  30 f 102.4357 32.63119 311.2370       179.9731 -52.00867      279.1660 569.5762       235.4277 74.63182 34.27863 135.7820 35.77331 -61.15019      49.54548 
1 1 1 12  14  31 o 66.74105 28.20127 64.37296       154.6529 25.99441       166.5212 305.1841       417.1224 64.54599 28.27283 101.2161 44.52796 -36.67011      52.74554 
1 1 1 12  14  32 o 69.09191 30.89198 31.94338       209.0004 -191.0033      295.5579 254.9303       295.5845 66.42019 31.91612 91.70078 38.87888 -25.28059      50.30116 
1 1 1 12  14  33 o 134.6612 25.90023 530.7020       160.6917 483.5620       202.8741 610.0732       263.2466 119.8414 33.89892 127.6833 39.29125 -7.841896      51.89354 
1 1 1 12  14  34 o 102.0286 30.20828 345.6782       157.7617 418.5756       198.3816 220.2628       260.2082 107.5846 34.25806 83.04396 35.86702 24.54060       49.59897 
1 1 1 12  14  35 f 89.46657 30.78989 286.0412       159.3956 618.5399       202.1500 -260.4697      259.1661 132.5359 32.22047 55.72491 27.44682 76.81100       42.32595 
1 1 1 12  15  0  o 121.6694 9.145366 357.7417       52.80809 417.9808       79.63304 310.4573       70.55257 130.9238 12.88928 112.5555 13.37211 18.36827       18.57275 
1 1 1 12  15  1  o 87.74168 9.059579 186.9255       37.45753 111.4042       56.22992 247.1741       50.22340 66.42864 17.47414 100.7869 10.58060 -34.35822      20.42779 
1 1 1 12  15  2  o 207.6515 11.06966 1041.630       109.4979 0.000000       0.000000 1041.630       109.4979 ?        ?        207.6515 11.06966 0.000000       11.06966 
1 1 1 12  15  3  o 254.9038 10.60815 1566.963       128.9954 0.000000       0.000000 1566.963       128.9954 ?        ?        254.9038 10.60815 0.000000       10.60815 
1 1 1 12  15  4  o 50.56414 17.78276 55.25208       53.31702 0.000000       0.000000 55.25208       53.31702 ?        ?        50.56414 17.78276 0.000000       17.78276 
1 1 1 12  15  5  o 31.96796 14.41465 -23.60034      46.58353 0.000000       0.000000 -23.60034      46.58353 ?        ?        31.96796 14.41465 0.000000       14.41465 
1 1 1 12  15  6  o 158.3205 10.24860 605.6992       77.15613 0.000000       0.000000 605.6992       77.15613 ?        ?        158.3205 10.24860 0.000000       10.24860 
1 1 1 12  15  7  f 75.16406 13.62129 140.7602       47.14637 0.000000       0.000000 140.7602       47.14637 ?        ?        75.16406 13.62129 0.000000       13.62129 
1 1 1 12  15  8  o 84.15173 13.75042 175.6592       53.41194 0.000000       0.000000 175.6592       53.41194 ?        ?        84.15173 13.75042 0.000000       13.75042 
1 1 1 12  15  9  o 235.1398 11.59976 1336.744       129.9993 0.000000       0.000000 1336.744       129.9993 ?        ?        235.1398 11.59976 0.000000       11.59976 
1 1 1 12  15  10 o 288.6368 9.356706 2005.437       128.9463 0.000000       0.000000 2005.437       128.9463 ?        ?        288.6368 9.356706 0.000000       9.356706 
1 1 1 12  15  11 o 368.2397 9.581503 3264.246       168.5402 0.000000       0.000000 3264.246       168.5402 ?        ?        368.2397 9.581503 0.000000       9.581503 
1 1 1 12  15  12 o 296.9221 13.66460 2139.720       193.4559 0.000000       0.000000 2139.720       193.4559 ?        ?        296.9221 13.66460 0.000000       13.66460 
1 1 1 12  15  13 o 174.0724 10.72087 733.1177       88.78837 0.000000       0.000000 733.1177       88.78837 ?        ?        174.0724 10.72087 0.000000       10.72087 
1 1 1 12  15  14 o 131.7435 10.21007 420.6162       63.80660 487.7731       106.7891 383.3288       79.57245 140.5872 16.18299 125.0715 13.52225 15.51578       21.08887 
1 1 1 12  15  15 o 234.7744 8.316012 1326.391       93.19398 1535.365       171.2716 1238.494       111.0773 251.0257 14.33068 226.4500 10.28680 24.57576       17.64049 
1 1 1 12  15  16 o 70.78820 20.47420 126.7509       73.21027 102.6167       86.41956 188.0966       137.7804 66.38393 22.67677 86.91486 28.62132 -20.53093      36.51596 
1 1 1 12  15  17 o 120.1673 19.52848 364.5127       108.3439 366.0284       148.4772 362.7864       158.4515 118.0418 26.90966 117.0248 28.57329 1.017029       39.25000 
1 1 1 12  15  18 o 120.1864 18.02483 362.4406       100.3801 350.9425       109.4867 423.0611       251.3961 117.5435 20.21143 123.8054 38.44806 -6.261925      43.43680 
1 1 1 12  15  19 o 212.2676 14.10307 1101.915       142.3101 1147.223       191.6817 1046.268       212.4271 214.7368 18.86238 203.4797 22.19581 11.25710       29.12806 
1 1 1 12  15  20 o 180.7354 17.26271 810.6077       147.3526 1052.246       223.2742 624.1508       196.1306 203.2158 23.40837 153.9681 27.66106 49.24770       36.23653 
1 1 1 12  15  21 o 107.9136 26.39044 309.4265       135.0044 553.5231       218.7741 159.3062       171.5674 141.9746 32.87897 84.53131 31.58060 57.44330       45.58905 
1 1 1 12  15  22 o 197.0875 16.61950 962.1667       155.1398 950.6556       220.5658 973.4379       218.2543 192.0408 24.58676 194.7070 23.95027 -2.666214      34.32382 
1 1 1 12  15  23 o 192.2779 15.16491 911.4428       138.2770 965.2479       170.1300 806.7181       237.3526 196.5694 18.31397 173.6808 29.64805 22.88852       34.84837 
1 1 1 12  15  24 o 54.81557 22.45711 34.01390       93.79582 -4.805502      105.5468 179.8080       204.5459 52.32807 22.72116 89.46124 34.24077 -37.13316      41.09357 
1 1 1 12  15  25 o 145.3680 17.97892 533.6221       122.2907 555.8851       143.4958 474.5474       233.7473 147.0383 21.00927 127.6768 36.47781 19.36160       42.09537 
1 1 1 12  15  26 o 86.77114 33.73022 172.4799       200.7207 47.55180       234.9333 510.1687       386.2538 78.31324 33.95187 126.0827 47.32696 -47.76948      58.24577 
1 1 1 12  15  27 o 164.6241 24.82971 723.0289       189.3496 933.3521       279.0808 543.6270       257.7508 180.2241 33.62638 132.9696 38.40406 47.25447       51.04513 
1 1 1 12  15  28 o 61.25017 26.03338 31.46164       133.0941 -71.91469      160.5075 258.9806       238.1187 56.76361 26.04223 97.24295 37.01089 -40.47934      45.25488 
1 1 1 12  15  29 o 182.7357 21.37849 876.6827       183.2448 834.6020       205.2198 1042.208       407.0151 175.3269 25.20650 170.0311 47.98734 5.295837       54.20473 
1 1 1 12  15  30 o 87.93251 32.71375 220.6663       183.7222 431.2155       283.7843 68.74472       241.0579 111.6378 40.80991 76.92237 33.84498 34.71548       53.01822 
1 1 1 12  15  31 o 87.36431 29.52366 229.2549       146.4404 214.2239       181.7186 257.0981       247.3232 85.30175 32.36341 91.31509 36.81301 -6.013336      49.01620 
1 1 1 12  15  32 o 74.72745 28.91735 151.3419       147.0196 244.8943       177.6514 -51.98215      261.9001 87.95592 32.26706 68.48485 32.04857 19.47107       45.47828 
1 1 1 12  15  33 o 84.18831 35.54018 226.9629       245.2421 362.4133       297.5198 -60.14405      433.1593 95.20831 39.59510 77.64418 37.63400 17.56413       54.62683 
1 1 1 12  15  34 o 55.59620 25.82573 -33.61306      165.1098 -11.04800      178.0631 -171.9975      440.9601 58.78048 27.13455 71.45871 35.30980 -12.67823      44.53163 
1 1 1 12  16  0  o 154.1422 8.504825 572.5238       62.43222 530.8084       100.5160 598.7252       79.66161 147.2733 14.46219 157.2906 10.65638 -10.01727      17.96422 
1 1 1 12  16  1  o 219.6558 7.998358 1159.968       83.85443 1092.013       119.2998 1226.325       117.8889 212.3982 11.79477 225.3008 10.97770 -12.90262      16.11293 
1 1 1 12  16  2  o 207.8893 9.836818 1042.258       97.49030 0.000000       0.000000 1042.258       97.49030 ?        ?        207.8893 9.836818 0.000000       9.836818 
1 1 1 12  16  3  o 237.7870 9.503963 1362.150       107.8265 0.000000       0.000000 1362.150       107.8265 ?        ?        237.7870 9.503963 0.000000       9.503963 
1 1 1 12  16  4  o 269.2075 11.22928 1750.418       144.2092 0.000000       0.000000 1750.418       144.2092 ?        ?        269.2075 11.22928 0.000000       11.22928 
1 1 1 12  16  5  o 231.3227 11.71578 1294.456       129.1462 0.000000       0.000000 1294.456       129.1462 ?        ?        231.3227 11.71578 0.000000       11.71578 
1 1 1 12  16  6  o 185.3024 9.722825 828.4193       85.83405 0.000000       0.000000 828.4193       85.83405 ?        ?        185.3024 9.722825 0.000000       9.722825 
1 1 1 12  16  7  o 195.1762 10.37497 920.0121       96.46258 0.000000       0.000000 920.0121       96.46258 ?        ?        195.1762 10.37497 0.000000       10.37497 
1 1 1 12  16  8  o 275.2147 13.10984 1836.717       171.9994 0.000000       0.000000 1836.717       171.9994 ?        ?        275.2147 13.10984 0.000000       13.10984 
1 1 1 12  16  9  o 242.2445 11.96056 1420.632       138.0921 0.000000       0.000000 1420.632       138.0921 ?        ?        242.2445 11.96056 0.000000       11.96056 
1 1 1 12  16  10 o 117.3000 12.22934 336.0098       67.57584 0.000000       0.000000 336.0098       67.57584 ?        ?        117.3000 12.22934 0.000000       12.22934 
1 1 1 12  16  11 o 187.8561 12.19623 856.4954       108.9445 0.000000       0.000000 856.4954       108.9445 ?        ?        187.8561 12.19623 0.000000       12.19623 
1 1 1 12  16  12 o 204.5714 12.07248 1015.021       117.5478 0.000000       0.000000 1015.021       117.5478 ?        ?        204.5714 12.07248 0.000000       12.07248 
1 1 1 12  16  13 o 163.9187 11.37643 651.8806       88.60120 0.000000       0.000000 651.8806       88.60120 ?        ?        163.9187 11.37643 0.000000       11.37643 
1 1 1 12  16  14 o 299.2512 13.92246 2179.177       198.6408 0.000000       0.000000 2179.177       198.6408 ?        ?        299.2512 13.92246 0.000000       13.92246 
1 1 1 12  16  15 o 55.33707 18.00233 73.12187       54.58332 101.3820       80.70113 49.29268       74.10497 65.37621 21.91607 53.45987 20.57187 11.91634       30.05854 
1 1 1 12  16  16 o 100.7589 14.41520 251.8866       67.46411 213.2306       142.4424 263.0656       76.60046 91.15440 29.02928 102.5589 16.15648 -11.40449      33.22244 
1 1 1 12  16  17 o 197.8952 13.42468 956.1364       126.2609 1080.698       161.9539 763.1075       201.6094 209.4391 16.30262 172.1031 25.25351 37.33600       30.05853 
1 1 1 12  16  18 o 243.0782 14.26791 1445.192       165.0824 1434.198       202.0371 1467.274       286.3476 240.7019 17.68007 239.2169 25.42671 1.484985       30.96938 
1 1 1 12  16  19 f 264.3908 12.56919 1701.470       158.4224 1858.903       200.1849 1437.642       259.1463 275.2203 15.27388 237.9467 23.06927 37.27353       27.66736 
1 1 1 12  16  20 o 85.79436 26.34942 190.9926       118.4608 231.0434       131.5204 18.83593       272.6776 93.51896 27.55405 83.04945 36.28308 10.46951       45.55972 
1 1 1 12  16  21 o 143.3425 17.99630 515.1765       120.6181 626.2447       157.3484 356.9063       187.8308 156.7670 21.56499 113.9947 32.74097 42.77233       39.20485 
1 1 1 12  16  22 o 82.36208 27.32630 171.8721       125.5211 184.8573       139.3237 115.9056       289.2444 85.40553 28.79739 91.79017 38.66491 -6.384636      48.21063 
1 1 1 12  16  23 o 108.0190 24.03662 308.7806       120.9321 323.9457       154.9853 285.1764       193.3587 108.8784 29.18267 102.3672 33.91433 6.511276       44.74160 
1 1 1 12  16  24 o 147.1843 19.06524 551.5338       131.0076 601.2969       140.5709 222.6807       361.3617 153.5117 19.59981 103.3767 43.36106 50.13503       47.58503 
1 1 1 12  16  25 o 62.03781 24.27584 70.71737       104.5234 78.79307       118.3674 42.12473       222.7252 65.44729 25.76636 76.28283 33.06484 -10.83554      41.91884 
1 1 1 12  16  26 o 198.0102 17.04759 987.9688       159.8138 816.4954       205.9988 1247.187       253.2788 174.5633 25.43024 216.6895 24.90055 -42.12619      35.59121 
1 1 1 12  16  27 o 223.0306 16.60835 1252.160       175.8210 1149.196       221.6596 1426.855       288.7246 209.3128 22.50349 229.3395 26.83984 -20.02670      35.02548 
1 1 1 12  16  28 o 53.94929 25.60963 -159.2016      178.3944 -49.44248      268.2296 -246.2607      238.8876 73.54980 33.71444 59.49627 28.61597 14.05353       44.22146 
1 1 1 12  16  29 o 47.28457 22.48437 -132.0030      138.6832 -249.8992      166.7968 132.0233       249.6097 46.55910 22.74254 82.49187 35.37225 -35.93278      42.05258 
1 1 1 12  16  30 o 40.01298 19.87177 -300.7138      146.3844 -237.5900      156.5905 -738.1505      412.2174 44.71299 21.88223 62.87675 31.54553 -18.16375      38.39209 
1 1 1 12  16  31 o 53.40311 25.51801 -148.9339      183.1895 -270.5439      286.7655 -65.09316      238.1057 61.74548 30.08559 65.36943 30.58007 -3.623951      42.89852 
1 1 1 12  16  32 o 53.08846 24.37127 -35.19466      140.8685 36.89745       171.0981 -186.8912      248.1927 63.35035 28.16150 59.42659 28.72766 3.923756       40.22871 
1 1 1 12  16  33 o 44.42735 21.66173 -183.0995      149.3581 -264.6208      179.5548 0.2791605E-03  269.0949 45.91266 22.65784 67.94377 32.01193 -22.03111      39.21914 
1 1 1 12  17  0  o 214.9890 8.263174 1112.352       84.77390 1062.381       120.1749 1161.849       119.6040 209.2977 12.06102 219.0557 11.46030 -9.757935      16.63750 
1 1 1 12  17  1  o 331.3889 8.267776 2638.939       130.9891 2308.098       277.7528 2733.567       148.5455 305.9374 19.08472 336.9377 9.230195 -31.00031      21.19960 
1 1 1 12  17  2  o 108.2770 13.51723 288.3510       68.45337 0.000000       0.000000 288.3510       68.45337 ?        ?        108.2770 13.51723 0.000000       13.51723 
1 1 1 12  17  3  o 339.9692 14.04266 2808.692       227.7516 0.000000       0.000000 2808.692       227.7516 ?        ?        339.9692 14.04266 0.000000       14.04266 
1 1 1 12  17  4  o 252.7289 9.304341 1538.873       112.2295 0.000000       0.000000 1538.873       112.2295 ?        ?        252.7289 9.304341 0.000000       9.304341 
1 1 1 12  17  5  o 108.3030 11.94335 286.7387       60.81507 0.000000       0.000000 286.7387       60.81507 ?        ?        108.3030 11.94335 0.000000       11.94335 
1 1 1 12  17  6  o 115.2732 11.84149 324.3033       64.33244 0.000000       0.000000 324.3033       64.33244 ?        ?        115.2732 11.84149 0.000000       11.84149 
1 1 1 12  17  7  o 81.41531 18.11269 168.5474       68.68220 0.000000       0.000000 168.5474       68.68220 ?        ?        81.41531 18.11269 0.000000       18.11269 
1 1 1 12  17  8  o 72.46987 14.93944 132.2507       50.03965 0.000000       0.000000 132.2507       50.03965 ?        ?        72.46987 14.93944 0.000000       14.93944 
1 1 1 12  17  9  o 279.5879 12.84932 1896.997       171.2948 0.000000       0.000000 1896.997       171.2948 ?        ?        279.5879 12.84932 0.000000       12.84932 
1 1 1 12  17  10 o 129.2780 13.11982 409.0595       79.96701 0.000000       0.000000 409.0595       79.96701 ?        ?        129.2780 13.11982 0.000000       13.11982 
1 1 1 12  17  11 o 202.9779 12.02037 1000.074       116.1250 0.000000       0.000000 1000.074       116.1250 ?        ?        202.9779 12.02037 0.000000       12.02037 
1 1 1 12  17  12 o 36.04538 16.23216 -27.71754      58.85278 0.000000       0.000000 -27.71754      58.85278 ?        ?        36.04538 16.23216 0.000000       16.23216 
1 1 1 12  17  13 o 277.7186 14.07307 1880.549       186.2448 0.000000       0.000000 1880.549       186.2448 ?        ?        277.7186 14.07307 0.000000       14.07307 
1 1 1 12  17  14 o 173.5199 11.01939 730.5639       90.94230 0.000000       0.000000 730.5639       90.94230 ?        ?        173.5199 11.01939 0.000000       11.01939 
1 1 1 12  17  15 o 276.4670 11.48843 1852.927       151.5183 1869.705       259.5066 1844.249       186.6340 273.9288 19.95218 274.7898 14.25507 -0.8609924     24.52135 
1 1 1 12  17  16 o 211.1915 9.915483 1078.699       99.83537 1199.663       170.3145 1015.376       123.2263 220.6438 16.25972 204.1262 12.68964 16.51758       20.62536 
1 1 1 12  17  17 o 231.0441 9.042466 1288.422       99.68980 941.9371       184.2549 1431.826       118.5379 193.6694 20.19627 243.2643 10.21500 -49.59488      22.63262 
1 1 1 12  17  18 o 203.4656 15.70594 1020.052       151.5971 1136.823       179.1599 725.6891       284.4563 214.0334 17.66574 160.3175 37.74286 53.71590       41.67255 
1 1 1 12  17  19 o 49.44922 20.54384 19.45760       79.97660 76.46395       91.98468 -157.1237      161.8923 61.70732 23.10958 52.45787 24.75056 9.249447       33.86211 
1 1 1 12  17  20 o 178.8443 15.78023 791.1357       133.5436 715.6487       149.5887 1087.474       296.3854 168.8239 18.85501 200.6148 31.97434 -31.79088      37.11967 
1 1 1 12  17  21 f 294.5680 14.97415 2134.644       210.1885 2564.634       281.9434 1596.692       315.3584 320.6231 18.47145 246.7145 27.18648 73.90862       32.86790 
1 1 1 12  17  22 o 43.68570 20.79548 -136.1210      119.2791 -138.2319      130.2364 -125.1362      297.0957 46.20815 21.91943 75.71397 34.98631 -29.50581      41.28563 
1 1 1 12  17  23 o 49.18704 22.10720 -36.77403      108.5682 -120.1262      137.1465 103.1379       177.6861 48.90565 22.98324 76.73518 31.10653 -27.82953      38.67616 
1 1 1 12  17  24 f 97.55307 25.57927 259.4505       120.7416 247.1660       129.9486 337.0425       326.5889 94.84375 27.23051 109.3690 42.87724 -14.52521      50.79329 
1 1 1 12  17  25 o 78.28987 25.81854 161.2170       112.1026 164.3727       133.4214 153.6403       206.7342 79.95935 28.12978 84.32314 33.77362 -4.363785      43.95387 
1 1 1 12  17  26 o 118.9902 24.09240 383.5008       132.3498 448.3256       162.9625 257.8963       226.8398 126.6836 27.68202 96.45165 36.25509 30.23191       45.61497 
1 1 1 12  17  27 o 105.1771 29.68522 322.9524       155.7496 254.5053       169.8242 685.3001       390.7372 93.64384 31.79247 133.9724 48.03619 -40.32852      57.60413 
1 1 1 12  17  28 o 43.65566 21.04874 -163.1305      131.1351 -152.4851      155.2072 -189.6887      245.1491 49.25076 23.52139 61.71457 29.49775 -12.46381      37.72761 
1 1 1 12  17  29 o 50.71523 24.53475 -205.7185      181.8758 -298.0755      265.2228 -123.7349      249.8845 58.91113 28.75481 64.43137 30.50448 -5.520245      41.92091 
1 1 1 12  17  30 o 70.93203 27.98613 126.4683       139.9093 229.5087       163.4843 -155.5284      270.4546 86.00217 31.04184 64.43578 30.84814 21.56639       43.76305 
1 1 1 12  17  31 o 50.78938 24.11899 -109.9135      158.5342 -145.1155      170.4973 114.8529       430.8236 50.75021 24.34835 83.44643 39.66538 -32.69622      46.54229 
1 1 1 12  17  32 o 63.10905 28.88049 21.85881       195.7374 -49.65750      295.8584 77.52856       261.0304 67.51627 32.30717 71.51651 32.95625 -4.000244      46.15049 
1 1 1 12  18  0  o 124.9503 9.565393 378.1667       56.70667 397.9510       86.63735 363.3382       75.00517 127.1479 14.51192 121.7604 13.09012 5.387581       19.54347 
1 1 1 12  18  1  o 158.6324 12.02159 612.0875       90.49341 0.000000       0.000000 612.0875       90.49341 ?        ?        158.6324 12.02159 0.000000       12.02159 
1 1 1 12  18  2  o 180.0878 11.38174 786.6214       97.49310 0.000000       0.000000 786.6214       97.49310 ?        ?        180.0878 11.38174 0.000000       11.38174 
1 1 1 12  18  3  o 138.6013 13.14220 469.8011       86.04466 0.000000       0.000000 469.8011       86.04466 ?        ?        138.6013 13.14220 0.000000       13.14220 
1 1 1 12  18  4  o 245.3076 11.95591 1459.013       139.7951 0.000000       0.000000 1459.013       139.7951 ?        ?        245.3076 11.95591 0.000000       11.95591 
1 1 1 12  18  5  o 143.9832 12.65759 505.9463       86.24471 0.000000       0.000000 505.9463       86.24471 ?        ?        143.9832 12.65759 0.000000       12.65759 
1 1 1 12  18  6  o 168.0108 11.33241 685.1010       90.49399 0.000000       0.000000 685.1010       90.49399 ?        ?        168.0108 11.33241 0.000000       11.33241 
1 1 1 12  18  7  o 128.5604 12.11868 403.4542       73.60661 0.000000       0.000000 403.4542       73.60661 ?        ?        128.5604 12.11868 0.000000       12.11868 
1 1 1 12  18  8  o 100.9014 13.07134 250.8931       61.57549 0.000000       0.000000 250.8931       61.57549 ?        ?        100.9014 13.07134 0.000000       13.07134 
1 1 1 12  18  9  o 76.41209 14.81526 146.8775       52.16878 0.000000       0.000000 146.8775       52.16878 ?        ?        76.41209 14.81526 0.000000       14.81526 
1 1 1 12  18  10 o 121.9061 12.70828 364.1118       72.98000 0.000000       0.000000 364.1118       72.98000 ?        ?        121.9061 12.70828 0.000000       12.70828 
1 1 1 12  18  11 o 183.2577 11.91231 816.4993       103.8022 0.000000       0.000000 816.4993       103.8022 ?        ?        183.2577 11.91231 0.000000       11.91231 
1 1 1 12  18  12 o 240.2950 13.74760 1408.946       157.2766 0.000000       0.000000 1408.946       157.2766 ?        ?        240.2950 13.74760 0.000000       13.74760 
1 1 1 12  18  13 o 162.6514 11.90331 644.1946       91.92130 0.000000       0.000000 644.1946       91.92130 ?        ?        162.6514 11.90331 0.000000       11.90331 
1 1 1 12  18  14 o 182.6346 13.29501 815.0087       115.2911 0.000000       0.000000 815.0087       115.2911 ?        ?        182.6346 13.29501 0.000000       13.29501 
1 1 1 12  18  15 o 153.5987 11.89498 575.0714       86.66911 0.000000       0.000000 575.0714       86.66911 ?        ?        153.5987 11.89498 0.000000       11.89498 
1 1 1 12  18  16 o 117.9027 11.05330 339.2439       61.57870 405.1854       115.6861 313.1739       72.73981 126.3731 19.79735 112.5864 13.80219 13.78670       24.13370 
1 1 1 12  18  17 o 264.7956 10.64969 1698.802       134.5455 1713.562       228.4253 1690.961       166.4913 262.5603 18.31207 263.2140 13.27327 -0.6536865     22.61662 
1 1 1 12  18  18 o 313.9788 9.003032 2379.843       135.0047 2365.350       286.7641 2383.969       153.0236 307.4693 19.61029 313.8117 10.21315 -6.342377      22.11045 
1 1 1 12  18  19 o 61.98993 25.14731 52.81891       116.2236 -10.94896      160.1513 123.7690       168.9297 63.02071 27.66219 79.01497 30.87850 -15.99426      41.45694 
1 1 1 12  18  20 o 83.48955 26.74686 182.6158       120.7845 142.9961       165.5246 227.7393       176.6477 80.63775 30.81727 93.09390 32.39459 -12.45615      44.71145 
1 1 1 12  18  21 o 134.0246 23.74731 474.1607       146.5930 132.5929       223.4122 732.4021       194.2591 84.93502 34.71172 166.3310 25.21857 -81.39594      42.90548 
1 1 1 12  18  22 o 63.12419 26.82559 30.87419       141.2786 -309.9799      221.9343 263.1074       183.1903 55.08752 26.75613 97.49825 33.02069 -42.41072      42.50007 
1 1 1 12  18  23 o 207.6077 14.82963 1071.703       146.2220 1113.583       185.4929 1002.963       237.6415 209.2860 18.73670 193.0471 26.44261 16.23891       32.40796 
1 1 1 12  18  24 o 96.90457 31.60225 266.2961       168.1518 304.4770       194.9538 155.3662       332.3021 102.3946 34.05812 93.93015 40.55041 8.464455       52.95556 
1 1 1 12  18  25 o 61.29223 26.55970 18.15091       143.6268 -165.0775      200.9971 209.3260       205.3094 57.63937 27.30934 89.28168 34.27116 -31.64231      43.82137 
1 1 1 12  18  26 o 73.33159 29.11658 119.5473       152.3302 141.0370       210.4501 95.89729       220.7754 80.79005 33.42337 77.53994 33.25803 3.250114       47.15102 
1 1 1 12  18  27 o 117.9601 25.39408 396.5300       138.9688 413.1308       149.4267 290.2307       378.1191 119.3555 26.83967 97.74388 42.71402 21.61159       50.44656 
1 1 1 12  18  28 o 103.7406 27.99050 324.7133       142.0072 301.4433       169.6784 379.1225       259.4562 97.32471 31.74580 102.9100 38.75441 -5.585289      50.09690 
1 1 1 12  18  29 o 82.72726 29.22870 208.1656       144.1664 282.4867       171.6193 29.98577       265.7294 93.10576 31.95206 73.07940 33.52042 20.02636       46.30931 
1 1 1 12  18  30 o 48.23344 23.74851 -274.9413      193.4554 -235.1089      280.9906 -310.8358      266.7397 60.54952 29.56380 56.47522 27.82189 4.074306       40.59650 
1 1 1 12  18  31 o 53.07911 24.82143 -51.86406      156.6322 -63.44434      166.5619 36.66398       460.5287 53.73706 25.27707 77.33226 37.77753 -23.59520      45.45407 
1 1 1 12  19  0  o 178.3708 8.895970 767.8663       75.62280 818.0286       121.6186 736.2459       96.55944 182.8580 14.01851 174.0493 11.67164 8.808670       18.24132 
1 1 1 12  19  1  o 184.6600 11.29672 827.3207       99.25448 0.000000       0.000000 827.3207       99.25448 ?        ?        184.6600 11.29672 0.000000       11.29672 
1 1 1 12  19  2  o 41.87659 17.19609 15.56551       55.15928 0.000000       0.000000 15.56551       55.15928 ?        ?        41.87659 17.19609 0.000000       17.19609 
1 1 1 12  19  3  o 192.6773 11.88093 901.6750       108.9110 0.000000       0.000000 901.6750       108.9110 ?        ?        192.6773 11.88093 0.000000       11.88093 
1 1 1 12  19  4  f 128.2671 12.72386 402.5970       76.99913 0.000000       0.000000 402.5970       76.99913 ?        ?        128.2671 12.72386 0.000000       12.72386 
1 1 1 12  19  5  o 417.3994 16.37796 4269.116       326.1941 0.000000       0.000000 4269.116       326.1941 ?        ?        417.3994 16.37796 0.000000       16.37796 
1 1 1 12  19  6  o 216.7528 10.07978 1135.571       104.1677 0.000000       0.000000 1135.571       104.1677 ?        ?        216.7528 10.07978 0.000000       10.07978 
1 1 1 12  19  7  o 109.6637 12.48777 295.0820       64.30701 0.000000       0.000000 295.0820       64.30701 ?        ?        109.6637 12.48777 0.000000       12.48777 
1 1 1 12  19  8  o 154.5114 11.48071 580.5763       84.20216 0.000000       0.000000 580.5763       84.20216 ?        ?        154.5114 11.48071 0.000000       11.48071 
1 1 1 12  19  9  o 187.3205 12.42740 854.2984       110.6653 0.000000       0.000000 854.2984       110.6653 ?        ?        187.3205 12.42740 0.000000       12.42740 
1 1 1 12  19  10 o 237.0057 12.79505 1367.207       144.4428 0.000000       0.000000 1367.207       144.4428 ?        ?        237.0057 12.79505 0.000000       12.79505 
1 1 1 12  19  11 o 62.45695 19.60773 96.28014       65.19629 0.000000       0.000000 96.28014       65.19629 ?        ?        62.45695 19.60773 0.000000       19.60773 
1 1 1 12  19  12 o 89.15479 14.66513 198.7727       60.33698 0.000000       0.000000 198.7727       60.33698 ?        ?        89.15479 14.66513 0.000000       14.66513 
1 1 1 12  19  13 o 364.4185 9.864420 3208.311       171.7041 0.000000       0.000000 3208.311       171.7041 ?        ?        364.4185 9.864420 0.000000       9.864420 
1 1 1 12  19  14 o 156.8770 12.42085 601.5091       92.39804 0.000000       0.000000 601.5091       92.39804 ?        ?        156.8770 12.42085 0.000000       12.42085 
1 1 1 12  19  15 o 143.3110 12.27720 502.7182       83.30803 0.000000       0.000000 502.7182       83.30803 ?        ?        143.3110 12.27720 0.000000       12.27720 
1 1 1 12  19  16 o 168.0049 12.15083 690.1129       96.93750 0.000000       0.000000 690.1129       96.93750 ?        ?        168.0049 12.15083 0.000000       12.15083 
1 1 1 12  19  17 o 379.9402 10.10912 3498.664       183.4640 0.000000       0.000000 3498.664       183.4640 ?        ?        379.9402 10.10912 0.000000       10.10912 
1 1 1 12  19  18 o 62.54725 18.55448 99.69242       59.47158 87.53357       172.6664 101.3290       63.34771 74.66970 30.51612 63.18478 19.24236 11.48492       36.07634 
1 1 1 12  19  19 o 179.0414 11.37931 783.4446       96.90015 597.6717       204.7457 837.0652       109.9992 146.8921 30.16527 184.6656 12.53361 -37.77348      32.66550 
1 1 1 12  19  20 o 181.3114 11.68983 805.2735       100.7908 958.9998       211.5326 760.1218       114.6411 191.2567 23.63657 175.3075 13.78921 15.94917       27.36475 
1 1 1 12  19  21 o 73.44141 27.10395 126.5030       125.6566 129.7593       137.4470 109.9288       310.0934 75.11617 28.22428 89.97739 39.00766 -14.86122      48.14777 
1 1 1 12  19  22 o 88.31873 25.53207 213.2415       113.8750 236.1130       142.2271 172.3950       190.0693 92.16311 28.96432 84.95656 32.87857 7.206551       43.81704 
1 1 1 12  19  23 o 115.9401 22.92324 362.1178       122.5583 236.3622       152.5478 591.0688       205.8323 91.51071 30.11521 143.0153 30.99995 -51.50458      43.21947 
1 1 1 12  19  24 o 43.39768 20.51126 -103.8205      112.0753 -372.8150      136.5040 452.5937       196.3238 35.75704 17.96870 121.7362 32.93901 -85.97912      37.52137 
1 1 1 12  19  25 o 62.93861 24.53098 85.40462       106.3882 -0.1613666E-01 123.1443 336.7863       211.2512 54.72487 24.12993 102.2351 35.43415 -47.51019      42.86995 
1 1 1 12  19  26 o 57.29317 23.74712 49.97483       106.5114 206.8776       121.0668 -487.3905      224.0497 84.17666 26.75753 47.23524 23.63397 36.94142       35.70056 
1 1 1 12  19  27 f 87.57660 32.87508 239.3395       186.3816 240.6803       212.1313 234.8005       390.3022 87.89917 34.52758 91.63292 41.48233 -3.733749      53.97164 
1 1 1 12  19  28 o 95.83191 31.41620 304.7943       166.0768 132.5818       226.6405 504.4999       244.0621 76.33947 33.21938 115.0358 38.10201 -38.69629      50.54988 
1 1 1 12  19  29 o 72.92213 27.18705 159.3380       127.0197 183.4852       144.5581 77.54320       266.0548 76.65237 28.91406 72.73338 33.42771 3.918991       44.19768 
1 1 1 12  19  30 o 100.6887 31.18136 362.4493       165.4800 320.1180       176.4912 670.2941       475.9460 92.74401 32.37339 98.52583 45.06799 -5.781815      55.49018 
1 1 1 12  20  0  o 142.5143 16.04086 505.0249       107.3977 0.000000       0.000000 505.0249       107.3977 ?        ?        142.5143 16.04086 0.000000       16.04086 
1 1 1 12  20  1  o 178.7137 11.49927 777.5567       97.72948 0.000000       0.000000 777.5567       97.72948 ?        ?        178.7137 11.49927 0.000000       11.49927 
1 1 1 12  20  2  o 258.4507 12.08350 1625.422       148.8932 0.000000       0.000000 1625.422       148.8932 ?        ?        258.4507 12.08350 0.000000       12.08350 
1 1 1 12  20  3  o 60.84340 18.12645 93.08315       56.66319 0.000000       0.000000 93.08315       56.66319 ?        ?        60.84340 18.12645 0.000000       18.12645 
1 1 1 12  20  4  o 176.1419 11.24864 754.6998       94.23134 0.000000       0.000000 754.6998       94.23134 ?        ?        176.1419 11.24864 0.000000       11.24864 
1 1 1 12  20  5  o 258.6155 12.37365 1628.694       152.5454 0.000000       0.000000 1628.694       152.5454 ?        ?        258.6155 12.37365 0.000000       12.37365 
1 1 1 12  20  6  f 165.9109 12.47669 672.6362       98.24020 0.000000       0.000000 672.6362       98.24020 ?        ?        165.9109 12.47669 0.000000       12.47669 
1 1 1 12  20  7  o 125.7265 12.46808 387.8005       73.95750 0.000000       0.000000 387.8005       73.95750 ?        ?        125.7265 12.46808 0.000000       12.46808 
1 1 1 12  20  8  o 154.6256 12.69912 585.3845       93.05143 0.000000       0.000000 585.3845       93.05143 ?        ?        154.6256 12.69912 0.000000       12.69912 
1 1 1 12  20  9  o 104.7990 13.28675 271.7479       65.07674 0.000000       0.000000 271.7479       65.07674 ?        ?        104.7990 13.28675 0.000000       13.28675 
1 1 1 12  20  10 o 340.0011 14.07161 2831.053       228.2406 0.000000       0.000000 2831.053       228.2406 ?        ?        340.0011 14.07161 0.000000       14.07161 
1 1 1 12  20  11 o 144.7691 12.38952 513.6182       84.92733 0.000000       0.000000 513.6182       84.92733 ?        ?        144.7691 12.38952 0.000000       12.38952 
1 1 1 12  20  12 o 141.3230 14.73687 494.9176       98.10825 0.000000       0.000000 494.9176       98.10825 ?        ?        141.3230 14.73687 0.000000       14.73687 
1 1 1 12  20  13 o 163.1001 14.92509 658.6674       115.0917 0.000000       0.000000 658.6674       115.0917 ?        ?        163.1001 14.92509 0.000000       14.92509 
1 1 1 12  20  14 o 260.8523 11.43722 1657.232       142.2874 0.000000       0.000000 1657.232       142.2874 ?        ?        260.8523 11.43722 0.000000       11.43722 
1 1 1 12  20  15 o 53.90336 20.14090 58.59765       69.78816 0.000000       0.000000 58.59765       69.78816 ?        ?        53.90336 20.14090 0.000000       20.14090 
1 1 1 12  20  16 o 66.32343 20.12181 112.6865       69.35944 0.000000       0.000000 112.6865       69.35944 ?        ?        66.32343 20.12181 0.000000       20.12181 
1 1 1 12  20  17 o 23.75602 11.88095 -151.7307      56.33318 0.000000       0.000000 -151.7307      56.33318 ?        ?        23.75602 11.88095 0.000000       11.88095 
1 1 1 12  20  18 o 56.48180 22.69374 48.24703       93.64819 0.000000       0.000000 48.24703       93.64819 ?        ?        56.48180 22.69374 0.000000       22.69374 
1 1 1 12  20  19 o 241.0945 10.73090 1418.064       123.3793 1578.298       316.4478 1389.340       133.9824 241.1122 27.97039 238.1324 11.80530 2.979843       30.35964 
1 1 1 12  20  20 o 98.22431 22.41095 259.3449       102.9091 153.3153       301.5432 273.3219       109.4820 91.31397 39.01011 100.5255 23.24434 -9.211494      45.41022 
1 1 1 12  20  21 o 46.78960 20.53017 -7.677315      88.14158 -306.3879      299.8712 20.57048       92.21503 65.27517 31.56035 51.50096 21.76986 13.77421       38.34035 
1 1 1 12  20  22 o 99.17911 30.84402 293.2137       161.7264 262.4306       273.5686 309.7518       200.5176 95.71494 38.67065 100.3275 34.53370 -4.612526      51.84588 
1 1 1 12  20  23 o 45.48607 22.00736 -187.4848      146.4327 -303.0968      225.5090 -103.1984      192.5490 53.99752 26.39058 58.62085 27.44778 -4.623322      38.07681 
1 1 1 12  20  24 o 82.88057 30.34146 198.4481       156.9527 375.3502       241.3824 68.87148       206.5867 104.4280 37.71563 72.19415 31.56007 32.23386       49.17832 
1 1 1 12  20  25 o 47.12035 22.78707 -184.3161      156.5185 -154.5230      242.4971 -205.5909      204.9190 61.73553 29.46103 54.20789 26.18001 7.527637       39.41250 
1 1 1 12  20  26 o 39.90862 19.70355 -243.6129      136.3060 -308.5534      146.3010 183.5357       375.2138 39.26836 19.56176 86.48456 39.72914 -47.21620      44.28393 
1 1 1 12  20  27 o 35.53226 17.50291 -185.7093      105.4845 -189.1654      118.5259 -172.5459      231.3156 38.34562 18.82193 57.44584 27.76126 -19.10022      33.54031 
1 1 1 12  20  28 o 79.34679 26.66343 200.8972       119.4441 263.1634       136.4025 -3.850493      247.3465 88.88906 28.41805 65.91064 30.94021 22.97842       42.01050 
1 1 1 12  21  0  o 128.3481 18.88299 419.1037       112.4092 0.000000       0.000000 419.1037       112.4092 ?        ?        128.3481 18.88299 0.000000       18.88299 
1 1 1 12  21  1  o 50.53041 18.21774 54.73158       56.28848 0.000000       0.000000 54.73158       56.28848 ?        ?        50.53041 18.21774 0.000000       18.21774 
1 1 1 12  21  2  o 260.1700 12.95063 1655.518       160.5792 0.000000       0.000000 1655.518       160.5792 ?        ?        260.1700 12.95063 0.000000       12.95063 
1 1 1 12  21  3  o 115.6040 14.97202 333.2886       80.80718 0.000000       0.000000 333.2886       80.80718 ?        ?        115.6040 14.97202 0.000000       14.97202 
1 1 1 12  21  4  o 123.7121 15.16277 381.3846       87.80783 0.000000       0.000000 381.3846       87.80783 ?        ?        123.7121 15.16277 0.000000       15.16277 
1 1 1 12  21  5  o 352.1165 10.35749 3006.085       174.1715 0.000000       0.000000 3006.085       174.1715 ?        ?        352.1165 10.35749 0.000000       10.35749 
1 1 1 12  21  6  o 288.6740 13.93882 2045.212       191.8035 0.000000       0.000000 2045.212       191.8035 ?        ?        288.6740 13.93882 0.000000       13.93882 
1 1 1 12  21  7  o 154.7464 12.46619 587.2982       91.44807 0.000000       0.000000 587.2982       91.44807 ?        ?        154.7464 12.46619 0.000000       12.46619 
1 1 1 12  21  8  o 57.18624 21.74007 63.19413       82.10035 0.000000       0.000000 63.19413       82.10035 ?        ?        57.18624 21.74007 0.000000       21.74007 
1 1 1 12  21  9  o 36.60075 15.51557 3.662801       47.06343 0.000000       0.000000 3.662801       47.06343 ?        ?        36.60075 15.51557 0.000000       15.51557 
1 1 1 12  21  10 o 102.8568 14.54133 264.6873       69.51447 0.000000       0.000000 264.6873       69.51447 ?        ?        102.8568 14.54133 0.000000       14.54133 
1 1 1 12  21  11 o 204.9634 11.33803 1024.825       110.6692 0.000000       0.000000 1024.825       110.6692 ?        ?        204.9634 11.33803 0.000000       11.33803 
1 1 1 12  21  12 o 129.4662 13.56721 415.0962       82.73029 0.000000       0.000000 415.0962       82.73029 ?        ?        129.4662 13.56721 0.000000       13.56721 
1 1 1 12  21  13 o 236.0029 14.67182 1377.368       164.7238 0.000000       0.000000 1377.368       164.7238 ?        ?        236.0029 14.67182 0.000000       14.67182 
1 1 1 12  21  14 o 129.6736 15.03588 420.4220       91.48986 0.000000       0.000000 420.4220       91.48986 ?        ?        129.6736 15.03588 0.000000       15.03588 
1 1 1 12  21  15 o 52.83884 21.90167 28.87919       90.60471 0.000000       0.000000 28.87919       90.60471 ?        ?        52.83884 21.90167 0.000000       21.90167 
1 1 1 12  21  16 o 112.7775 19.76662 331.3071       102.6939 0.000000       0.000000 331.3071       102.6939 ?        ?        112.7775 19.76662 0.000000       19.76662 
1 1 1 12  21  17 o 85.99415 19.30493 195.0904       77.41749 0.000000       0.000000 195.0904       77.41749 ?        ?        85.99415 19.30493 0.000000       19.30493 
1 1 1 12  21  18 o 147.9767 15.42750 552.9235       107.5422 0.000000       0.000000 552.9235       107.5422 ?        ?        147.9767 15.42750 0.000000       15.42750 
1 1 1 12  21  19 o 117.3800 16.15842 353.0009       88.27448 0.000000       0.000000 353.0009       88.27448 ?        ?        117.3800 16.15842 0.000000       16.15842 
1 1 1 12  21  20 o 123.4721 13.33872 383.2869       77.49088 736.6957       191.3801 313.9838       84.74891 162.6512 25.44440 110.1432 16.61017 52.50804       30.38610 
1 1 1 12  21  21 o 126.5584 14.37590 406.8271       85.44350 670.6322       198.1634 346.5817       94.69865 151.7473 28.35697 114.9314 17.81023 36.81584       33.48615 
1 1 1 12  21  22 o 87.10826 17.29534 201.1928       69.48610 389.5556       191.2289 172.5390       74.58420 109.7103 33.43681 79.51064 19.71786 30.19964       38.81770 
1 1 1 12  21  23 o 95.67284 17.13610 242.5766       75.50202 -133.4423      196.0279 308.0747       81.81396 56.40923 26.79701 108.5634 16.26289 -52.15419      31.34583 
1 1 1 12  21  24 o 56.55765 24.92521 17.76325       131.2361 10.16404       141.3376 65.29693       353.4878 57.38040 25.54622 79.68798 37.27232 -22.30758      45.18667 
1 1 1 12  21  25 o 37.69931 18.55072 -197.7109      117.4566 -184.0249      139.9849 -230.2665      215.9013 43.06916 20.99320 53.15365 25.94438 -10.08449      33.37402 
1 1 1 12  21  26 o 87.68002 32.08280 274.4332       175.4525 158.1897       255.2554 378.5417       241.5648 76.48123 34.17172 95.60556 37.04782 -19.12433      50.40087 
1 1 1 12  22  0  o 57.06039 21.55859 67.13539       80.43874 0.000000       0.000000 67.13539       80.43874 ?        ?        57.06039 21.55859 0.000000       21.55859 
1 1 1 12  22  1  o 135.6378 15.40601 462.4934       98.13528 0.000000       0.000000 462.4934       98.13528 ?        ?        135.6378 15.40601 0.000000       15.40601 
1 1 1 12  22  2  o 133.1445 14.76859 443.7378       92.42993 0.000000       0.000000 443.7378       92.42993 ?        ?        133.1445 14.76859 0.000000       14.76859 
1 1 1 12  22  3  f 50.53664 18.02828 56.94749       54.96491 0.000000       0.000000 56.94749       54.96491 ?        ?        50.53664 18.02828 0.000000       18.02828 
1 1 1 12  22  4  o 89.63645 15.28756 204.1361       63.16539 0.000000       0.000000 204.1361       63.16539 ?        ?        89.63645 15.28756 0.000000       15.28756 
1 1 1 12  22  5  o 49.58582 21.61381 -4.790447      96.28645 0.000000       0.000000 -4.790447      96.28645 ?        ?        49.58582 21.61381 0.000000       21.61381 
1 1 1 12  22  6  o 88.13789 20.32015 204.8114       83.87206 0.000000       0.000000 204.8114       83.87206 ?        ?        88.13789 20.32015 0.000000       20.32015 
1 1 1 12  22  7  o 51.11221 20.89507 31.93805       80.98459 0.000000       0.000000 31.93805       80.98459 ?        ?        51.11221 20.89507 0.000000       20.89507 
1 1 1 12  22  8  o 146.3255 13.65166 531.2675       94.40020 0.000000       0.000000 531.2675       94.40020 ?        ?        146.3255 13.65166 0.000000       13.65166 
1 1 1 12  22  9  o 117.1262 13.95923 342.6743       76.63060 0.000000       0.000000 342.6743       76.63060 ?        ?        117.1262 13.95923 0.000000       13.95923 
1 1 1 12  22  10 o 33.49220 14.92795 -16.02763      48.40356 0.000000       0.000000 -16.02763      48.40356 ?        ?        33.49220 14.92795 0.000000       14.92795 
1 1 1 12  22  11 o 158.5883 13.48752 624.3289       101.2921 0.000000       0.000000 624.3289       101.2921 ?        ?        158.5883 13.48752 0.000000       13.48752 
1 1 1 12  22  12 o 140.8280 14.45630 496.6317       95.95142 0.000000       0.000000 496.6317       95.95142 ?        ?        140.8280 14.45630 0.000000       14.45630 
1 1 1 12  22  13 o 67.10909 18.09022 118.2892       59.34958 0.000000       0.000000 118.2892       59.34958 ?        ?        67.10909 18.09022 0.000000       18.09022 
1 1 1 12  22  14 o 254.7308 14.39461 1619.927       174.5898 0.000000       0.000000 1619.927       174.5898 ?        ?        254.7308 14.39461 0.000000       14.39461 
1 1 1 12  22  15 o 163.0546 13.36626 663.4109       103.2823 0.000000       0.000000 663.4109       103.2823 ?        ?        163.0546 13.36626 0.000000       13.36626 
1 1 1 12  22  16 o 207.8907 13.72228 1080.584       135.6232 0.000000       0.000000 1080.584       135.6232 ?        ?        207.8907 13.72228 0.000000       13.72228 
1 1 1 12  22  17 o 73.20465 24.51353 144.8800       100.9668 0.000000       0.000000 144.8800       100.9668 ?        ?        73.20465 24.51353 0.000000       24.51353 
1 1 1 12  22  18 f 87.81045 24.69264 219.1545       107.9716 0.000000       0.000000 219.1545       107.9716 ?        ?        87.81045 24.69264 0.000000       24.69264 
1 1 1 12  22  19 o 107.3526 24.96713 329.4227       125.7129 0.000000       0.000000 329.4227       125.7129 ?        ?        107.3526 24.96713 0.000000       24.96713 
1 1 1 12  22  20 o 90.71121 24.96040 239.2549       111.6374 0.000000       0.000000 239.2549       111.6374 ?        ?        90.71121 24.96040 0.000000       24.96040 
1 1 1 12  22  21 o 118.7251 20.81102 388.8062       113.8217 0.000000       0.000000 388.8062       113.8217 ?        ?        118.7251 20.81102 0.000000       20.81102 
1 1 1 12  22  22 o 76.46070 25.03024 173.3311       105.4385 802.4338       323.0326 98.31558       111.5479 136.2217 43.75119 63.62340 25.02383 72.59831       50.40197 
1 1 1 12  22  23 o 40.08606 18.93780 -76.24318      95.34602 178.7283       327.8040 -99.80767      99.65462 81.30049 37.26862 39.32567 18.79940 41.97482       41.74167 
1 1 1 12  23  0  o 60.51109 24.60547 60.82723       111.5766 0.000000       0.000000 60.82723       111.5766 ?        ?        60.51109 24.60547 0.000000       24.60547 
1 1 1 12  23  1  o 76.56852 25.93462 157.3839       113.0032 0.000000       0.000000 157.3839       113.0032 ?        ?        76.56852 25.93462 0.000000       25.93462 
1 1 1 12  23  2  o 70.39002 17.93338 130.8259       60.51219 0.000000       0.000000 130.8259       60.51219 ?        ?        70.39002 17.93338 0.000000       17.93338 
1 1 1 12  23  3  o 61.17043 18.28536 97.31862       57.58605 0.000000       0.000000 97.31862       57.58605 ?        ?        61.17043 18.28536 0.000000       18.28536 
1 1 1 12  23  4  o 98.09910 18.42208 252.2219       83.22775 0.000000       0.000000 252.2219       83.22775 ?        ?        98.09910 18.42208 0.000000       18.42208 
1 1 1 12  23  5  o 182.5320 15.18928 838.5074       131.3514 0.000000       0.000000 838.5074       131.3514 ?        ?        182.5320 15.18928 0.000000       15.18928 
1 1 1 12  23  6  o 79.28740 21.44781 170.0112       83.25008 0.000000       0.000000 170.0112       83.25008 ?        ?        79.28740 21.44781 0.000000       21.44781 
1 1 1 12  23  7  o 54.42904 21.81726 48.70413       86.33924 0.000000       0.000000 48.70413       86.33924 ?        ?        54.42904 21.81726 0.000000       21.81726 
1 1 1 12  23  8  o 199.2166 22.90471 1061.253       214.1871 0.000000       0.000000 1061.253       214.1871 ?        ?        199.2166 22.90471 0.000000       22.90471 
1 1 1 12  23  9  o 85.44886 17.69141 191.8735       69.89156 0.000000       0.000000 191.8735       69.89156 ?        ?        85.44886 17.69141 0.000000       17.69141 
1 1 1 12  23  10 o 66.79526 18.44279 118.2342       60.83054 0.000000       0.000000 118.2342       60.83054 ?        ?        66.79526 18.44279 0.000000       18.44279 
1 1 1 12  23  11 o 127.7813 13.67447 410.4815       82.24107 0.000000       0.000000 410.4815       82.24107 ?        ?        127.7813 13.67447 0.000000       13.67447 
1 1 1 12  23  12 o 139.2564 15.07884 492.2740       98.79044 0.000000       0.000000 492.2740       98.79044 ?        ?        139.2564 15.07884 0.000000       15.07884 
1 1 1 12  23  13 o 133.4426 16.46088 458.1645       102.7925 0.000000       0.000000 458.1645       102.7925 ?        ?        133.4426 16.46088 0.000000       16.46088 
1 1 1 12  23  14 o 171.2085 13.10464 733.9522       106.4499 0.000000       0.000000 733.9522       106.4499 ?        ?        171.2085 13.10464 0.000000       13.10464 
1 1 1 12  23  15 o 117.4055 16.03524 356.5150       87.65646 0.000000       0.000000 356.5150       87.65646 ?        ?        117.4055 16.03524 0.000000       16.03524 
1 1 1 12  23  16 o 101.2646 18.48995 274.4118       86.21878 0.000000       0.000000 274.4118       86.21878 ?        ?        101.2646 18.48995 0.000000       18.48995 
1 1 1 12  23  17 o 92.81476 18.60267 233.1161       79.66936 0.000000       0.000000 233.1161       79.66936 ?        ?        92.81476 18.60267 0.000000       18.60267 
1 1 1 12  23  18 o 64.29758 20.72806 113.3091       72.46162 0.000000       0.000000 113.3091       72.46162 ?        ?        64.29758 20.72806 0.000000       20.72806 
1 1 1 12  23  19 o 67.39502 21.22272 127.7803       76.32173 0.000000       0.000000 127.7803       76.32173 ?        ?        67.39502 21.22272 0.000000       21.22272 
1 1 1 12  23  20 o 53.89526 20.91139 65.41476       77.03597 0.000000       0.000000 65.41476       77.03597 ?        ?        53.89526 20.91139 0.000000       20.91139 
1 1 1 12  24  2  o 133.8797 17.74507 470.9599       110.7855 0.000000       0.000000 470.9599       110.7855 ?        ?        133.8797 17.74507 0.000000       17.74507 
1 1 1 12  24  3  o 133.4919 14.59359 454.9183       91.62211 0.000000       0.000000 454.9183       91.62211 ?        ?        133.4919 14.59359 0.000000       14.59359 
1 1 1 12  24  4  f 38.73716 16.29164 11.04307       51.22439 0.000000       0.000000 11.04307       51.22439 ?        ?        38.73716 16.29164 0.000000       16.29164 
1 1 1 12  24  5  o 38.24115 16.04177 11.29217       49.46695 0.000000       0.000000 11.29217       49.46695 ?        ?        38.24115 16.04177 0.000000       16.04177 
1 1 1 12  24  6  o 129.3177 16.75064 435.3145       101.1307 0.000000       0.000000 435.3145       101.1307 ?        ?        129.3177 16.75064 0.000000       16.75064 
1 1 1 12  24  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  24  8  o 94.03865 24.69917 255.4430       112.4530 0.000000       0.000000 255.4430       112.4530 ?        ?        94.03865 24.69917 0.000000       24.69917 
1 1 1 12  24  9  o 59.20755 18.87915 92.49113       60.23118 0.000000       0.000000 92.49113       60.23118 ?        ?        59.20755 18.87915 0.000000       18.87915 
1 1 1 12  24  10 o 106.7679 15.86838 296.9477       78.54005 0.000000       0.000000 296.9477       78.54005 ?        ?        106.7679 15.86838 0.000000       15.86838 
1 1 1 12  24  11 o 34.57649 15.34007 -10.86986      50.51617 0.000000       0.000000 -10.86986      50.51617 ?        ?        34.57649 15.34007 0.000000       15.34007 
1 1 1 12  24  12 o 36.61774 17.38878 -82.32372      82.39487 0.000000       0.000000 -82.32372      82.39487 ?        ?        36.61774 17.38878 0.000000       17.38878 
1 1 1 12  24  13 o 63.04434 22.48418 104.8530       85.48744 0.000000       0.000000 104.8530       85.48744 ?        ?        63.04434 22.48418 0.000000       22.48418 
1 1 1 12  24  14 o 71.03516 22.53675 143.4891       85.91969 0.000000       0.000000 143.4891       85.91969 ?        ?        71.03516 22.53675 0.000000       22.53675 
1 1 1 13  -11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -11 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -11 7  o 83.58596 25.90480 224.1061       114.1881 224.1061       114.1881 0.000000       0.000000 83.58596 25.90480 ?        ?        0.000000       25.90480 
1 1 1 13  -10 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -10 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -10 8  o 66.74128 19.79310 123.5216       67.68433 123.5216       67.68433 0.000000       0.000000 66.74128 19.79310 ?        ?        0.000000       19.79310 
1 1 1 13  -10 9  o 48.75918 22.39719 -39.52432      119.2155 -39.52432      119.2155 0.000000       0.000000 48.75918 22.39719 ?        ?        0.000000       22.39719 
1 1 1 13  -10 10 o 45.68660 20.50915 -13.38837      93.12666 -13.38837      93.12666 0.000000       0.000000 45.68660 20.50915 ?        ?        0.000000       20.50915 
1 1 1 13  -10 11 o 138.1016 13.89685 492.2373       90.50748 492.2373       90.50748 0.000000       0.000000 138.1016 13.89685 ?        ?        0.000000       13.89685 
1 1 1 13  -10 12 o 164.0120 13.27004 690.2426       103.1655 690.2426       103.1655 0.000000       0.000000 164.0120 13.27004 ?        ?        0.000000       13.27004 
1 1 1 13  -10 13 o 39.58740 18.27569 -38.99060      80.79318 -38.99060      80.79318 0.000000       0.000000 39.58740 18.27569 ?        ?        0.000000       18.27569 
1 1 1 13  -9  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -9  9  o 67.76077 17.97768 123.4696       59.19260 123.4696       59.19260 0.000000       0.000000 67.76077 17.97768 ?        ?        0.000000       17.97768 
1 1 1 13  -9  10 o 151.6320 12.95741 578.4581       93.03353 578.4581       93.03353 0.000000       0.000000 151.6320 12.95741 ?        ?        0.000000       12.95741 
1 1 1 13  -9  11 o 117.6953 15.03668 356.5559       82.67977 356.5559       82.67977 0.000000       0.000000 117.6953 15.03668 ?        ?        0.000000       15.03668 
1 1 1 13  -9  12 o 73.14691 19.92216 147.4322       71.53854 147.4322       71.53854 0.000000       0.000000 73.14691 19.92216 ?        ?        0.000000       19.92216 
1 1 1 13  -9  13 o 200.9491 8.089138 985.6936       77.55470 894.3434       107.7880 1083.748       111.6730 189.0660 11.98644 208.7464 11.23112 -19.68040      16.42598 
1 1 1 13  -9  14 o 47.87879 16.30613 56.95390       44.67810 110.0647       122.3193 48.77735       47.99419 66.72919 26.21664 46.11774 16.79450 20.61145       31.13466 
1 1 1 13  -9  15 o 118.6057 15.09123 366.9791       83.63821 251.3206       213.8143 387.8739       90.87974 86.20867 34.40818 121.3281 16.06157 -35.11941      37.97232 
1 1 1 13  -9  16 f 77.61198 20.15564 171.2703       75.44528 287.3109       235.9442 158.0544       79.62572 88.36951 35.83694 74.00245 21.33690 14.36707       41.70791 
1 1 1 13  -9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -8  10 o 166.6157 16.25171 704.8707       127.8128 704.8707       127.8128 0.000000       0.000000 166.6157 16.25171 ?        ?        0.000000       16.25171 
1 1 1 13  -8  11 o 62.69479 18.81862 103.1173       60.89887 103.1173       60.89887 0.000000       0.000000 62.69479 18.81862 ?        ?        0.000000       18.81862 
1 1 1 13  -8  12 o 89.26460 11.34952 198.9407       47.34203 270.2307       72.63506 146.2877       62.42284 102.6797 15.25957 74.19781 17.82141 28.48187       23.46181 
1 1 1 13  -8  13 o 72.95232 12.93458 135.8459       43.46121 225.3176       72.64265 85.96476       54.23965 92.68835 17.02000 57.50702 17.85884 35.18134       24.67020 
1 1 1 13  -8  14 o 96.48005 17.21830 245.0341       76.50724 142.6421       190.1870 264.8026       83.56702 77.87418 31.94929 99.89177 18.16738 -22.01759      36.75337 
1 1 1 13  -8  15 o 135.5529 10.90085 455.8676       70.04917 808.8194       217.2607 414.9199       74.00107 165.8483 28.42291 128.7065 12.17078 37.14182       30.91908 
1 1 1 13  -8  16 o 87.70589 16.34456 202.6044       66.01383 398.9384       143.3217 149.7357       74.37270 116.7398 26.31115 73.66572 20.41294 43.07405       33.30112 
1 1 1 13  -8  17 o 44.67294 19.25570 8.666290       74.70392 144.4741       244.4891 -5.318571      78.45602 79.80801 34.61752 43.69447 19.26352 36.11353       39.61635 
1 1 1 13  -8  18 o 55.78265 20.16757 77.47031       69.04151 0.000000       0.000000 77.47031       69.04151 ?        ?        55.78265 20.16757 0.000000       20.16757 
1 1 1 13  -8  19 o 66.96172 20.47589 126.3244       71.63394 324.3730       285.5839 113.0270       73.99969 91.49603 38.47313 63.76243 20.97437 27.73360       43.81901 
1 1 1 13  -8  20 o 77.49462 21.85088 176.0171       84.43097 737.6494       297.2859 126.7417       88.05693 128.9140 42.01842 66.48097 22.88482 62.43298       47.84624 
1 1 1 13  -7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -7  10 o 112.5050 16.89769 322.9577       88.08232 322.9577       88.08232 0.000000       0.000000 112.5050 16.89769 ?        ?        0.000000       16.89769 
1 1 1 13  -7  11 o 90.55556 15.91382 209.6876       66.38339 209.6876       66.38339 0.000000       0.000000 90.55556 15.91382 ?        ?        0.000000       15.91382 
1 1 1 13  -7  12 o 194.2812 7.363986 912.0512       68.27554 853.6630       95.37636 973.4207       97.78094 186.8272 10.72310 199.7206 10.27508 -12.89340      14.85133 
1 1 1 13  -7  13 o 153.8281 10.84023 580.2805       79.21228 499.5732       159.4172 606.7394       91.27779 135.2382 25.59332 156.7631 12.27691 -21.52484      28.38557 
1 1 1 13  -7  14 o 109.4206 11.98940 297.2173       61.69408 329.7656       170.9326 292.3423       66.15319 105.9586 31.46219 108.1422 13.05934 -2.183578      34.06488 
1 1 1 13  -7  15 o 250.2938 9.510402 1527.595       113.5969 1548.709       219.0594 1519.828       132.8561 245.1400 18.83560 248.7124 11.20190 -3.572388      21.91489 
1 1 1 13  -7  16 o 93.13459 16.26782 224.9373       69.80038 123.1260       200.7669 238.9356       74.44442 78.01280 32.49153 95.78589 16.87243 -17.77309      36.61118 
1 1 1 13  -7  17 o 133.9450 11.14332 444.6521       70.71337 538.0348       151.2022 418.5097       80.00147 139.7282 23.46516 129.0304 13.15243 10.69780       26.89982 
1 1 1 13  -7  18 o 147.5058 14.21604 551.7914       99.01227 521.6785       308.0093 555.2617       104.5620 116.6550 42.53593 147.4774 15.04026 -30.82242      45.11668 
1 1 1 13  -7  19 o 125.0779 16.86012 408.5415       98.25545 454.8853       326.3362 403.9215       103.0367 107.9569 42.69560 123.6889 17.94779 -15.73207      46.31455 
1 1 1 13  -7  20 o 77.85303 23.35154 173.3165       93.79562 374.7702       338.0123 156.5101       97.62972 99.30891 41.81283 74.21414 24.07130 25.09477       48.24666 
1 1 1 13  -7  21 o 119.4984 19.59514 390.7991       108.0719 363.2852       356.8386 393.5777       113.3976 95.23633 41.55883 119.1190 20.66063 -23.88264      46.41119 
1 1 1 13  -7  22 o 41.33619 19.40697 -67.68726      97.37146 -140.8609      371.2289 -62.28108      100.9044 70.63663 34.37578 42.62415 19.92911 28.01249       39.73492 
1 1 1 13  -6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -6  10 o 42.38660 17.04733 23.14798       52.90040 23.14798       52.90040 0.000000       0.000000 42.38660 17.04733 ?        ?        0.000000       17.04733 
1 1 1 13  -6  11 o 100.5920 7.981235 245.6379       38.06885 195.7589       54.64334 292.6792       53.06626 88.43601 13.33856 109.3471 10.27112 -20.91104      16.83488 
1 1 1 13  -6  12 o 59.68917 13.58677 90.85664       37.89865 91.16058       111.9614 90.81731       40.27626 66.39529 25.35238 59.57051 14.31959 6.824787       29.11690 
1 1 1 13  -6  13 o 170.9196 8.837041 708.6547       71.96641 817.1015       149.0337 675.6775       82.18320 179.8802 17.55283 166.4233 10.38074 13.45689       20.39269 
1 1 1 13  -6  14 o 150.0511 9.592326 548.3651       68.45281 769.2062       163.2455 501.2495       75.40214 172.8645 20.12885 142.9748 11.11836 29.88966       22.99541 
1 1 1 13  -6  15 o 53.64038 18.07281 69.20929       54.87460 102.0680       172.5178 65.51058       57.88071 75.18316 30.58679 53.11291 18.53933 22.07025       35.76673 
1 1 1 13  -6  16 o 164.0176 11.06725 659.4197       86.27564 549.5788       156.6830 707.2156       103.3558 143.5047 23.66137 169.1555 12.87705 -25.65085      26.93843 
1 1 1 13  -6  17 o 67.18033 23.37401 112.1433       91.96486 175.7788       214.8556 97.86950       101.7576 86.50105 34.50285 65.55332 24.35426 20.94772       42.23241 
1 1 1 13  -6  18 o 87.37489 19.61014 203.2503       79.90137 121.6871       195.4846 219.6096       87.54845 78.39407 32.30101 90.44887 20.69528 -12.05480      38.36209 
1 1 1 13  -6  19 o 138.8258 17.15025 496.9900       111.4102 0.000000       0.000000 496.9900       111.4102 ?        ?        138.8258 17.15025 0.000000       17.15025 
1 1 1 13  -6  20 o 168.0434 14.86272 716.5330       118.1767 1284.074       385.9509 657.8177       124.1393 190.0046 43.43657 159.9223 16.47180 30.08235       46.45488 
1 1 1 13  -6  21 o 126.7735 22.17429 441.9736       129.5044 19.19169       401.2958 491.1230       136.8251 83.95197 39.40941 133.7695 22.17025 -49.81758      45.21749 
1 1 1 13  -6  22 o 89.87970 27.59155 242.7262       129.9111 597.6910       417.6862 204.7105       136.6908 114.1697 47.14589 83.02335 28.51497 31.14639       55.09845 
1 1 1 13  -6  23 o 81.98471 28.73329 205.6472       139.1181 562.8340       436.9302 165.3512       146.7558 106.6814 46.27590 76.02407 29.02649 30.65728       54.62596 
1 1 1 13  -6  24 o 102.7597 29.51887 345.0486       152.6686 544.1847       464.9264 320.9811       161.6313 100.3346 45.36237 97.57521 30.90495 2.759392       54.88953 
1 1 1 13  -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -5  11 f 43.24386 11.52519 46.98796       24.25826 34.20222       37.81943 55.92540       31.61974 40.96016 14.90956 47.24403 13.38951 -6.283871      20.03931 
1 1 1 13  -5  12 o 39.86278 14.04087 34.48053       33.24888 90.96748       90.34689 25.63187       35.75839 63.89317 23.07436 37.86709 14.35874 26.02608       27.17719 
1 1 1 13  -5  13 o 76.31334 13.20808 146.1150       46.44510 129.5487       122.7517 148.8829       50.17533 74.46222 26.89532 76.80040 14.18779 -2.338181      30.40808 
1 1 1 13  -5  14 o 94.44851 12.95220 221.8944       56.94651 386.7360       149.6132 193.9669       61.58180 119.4300 26.85641 87.53642 15.26986 31.89355       30.89394 
1 1 1 13  -5  15 o 55.50418 16.19180 78.11232       45.61079 82.63538       103.9026 77.03268       50.76335 63.95853 24.42269 55.53636 17.28191 8.422173       29.91876 
1 1 1 13  -5  16 o 204.7101 9.838717 1018.652       96.00919 1091.330       179.8900 989.7040       113.5307 207.7882 18.29494 201.0176 11.86608 6.770599       21.80616 
1 1 1 13  -5  17 o 225.4470 9.759098 1235.602       104.9380 1444.809       204.8389 1161.159       122.1900 239.1447 18.04932 217.7048 11.78369 21.43996       21.55536 
1 1 1 13  -5  18 o 122.2802 15.60617 377.0504       89.15851 376.1039       236.6321 377.2070       96.25206 111.7857 37.52900 121.7332 17.00146 -9.947525      41.20042 
1 1 1 13  -5  19 o 234.9061 24.19803 1463.297       267.8747 1463.297       267.8747 0.000000       0.000000 234.9061 24.19803 ?        ?        0.000000       24.19803 
1 1 1 13  -5  20 f 41.73292 19.59331 -86.46920      99.25204 463.3199       337.8376 -138.4042      103.8341 117.3884 44.21907 39.07508 18.81235 78.31329       48.05445 
1 1 1 13  -5  21 o 142.4978 18.68778 528.4944       124.2482 606.8674       364.1512 518.1683       132.1802 126.7106 46.24298 140.0722 20.33161 -13.36154      50.51522 
1 1 1 13  -5  22 o 49.00535 21.93077 -20.22200      105.5874 -44.56987      209.8142 -11.96463      122.1871 64.89338 29.77304 53.34389 23.75063 11.54949       38.08578 
1 1 1 13  -5  23 o 148.8012 21.82219 602.7938       150.6320 825.0535       271.0665 503.4954       181.1827 158.3495 36.54689 128.9401 29.96357 29.40942       47.25982 
1 1 1 13  -5  24 o 144.8255 25.27715 599.7054       168.6542 927.1594       284.0634 421.4361       209.5938 166.6214 36.65707 111.4796 35.17809 55.14180       50.80590 
1 1 1 13  -5  25 f 80.29385 31.20673 192.9387       171.7867 227.6458       282.3132 172.5316       216.4771 86.34853 37.32703 79.65633 33.49557 6.692192       50.15237 
1 1 1 13  -5  26 o 92.65073 32.88176 302.5503       182.6264 328.7623       299.4041 287.0195       230.4645 91.16451 38.90678 88.76098 35.62225 2.403526       52.75113 
1 1 1 13  -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -4  11 o 134.3563 8.205529 436.3063       52.45623 353.0941       85.83418 485.9117       66.27220 119.0653 15.44220 141.4833 9.859246 -22.41803      18.32120 
1 1 1 13  -4  12 o 50.46697 13.63618 64.22493       33.67440 41.49060       83.32471 68.66283       36.81471 53.78947 21.47614 52.17445 14.32463 1.615017       25.81510 
1 1 1 13  -4  13 o 106.6804 10.83682 278.3231       54.50446 266.6013       113.1458 281.8651       62.19656 100.5910 23.88533 107.0005 12.38680 -6.409416      26.90617 
1 1 1 13  -4  14 o 207.8250 8.871885 1043.590       87.94712 1301.369       161.6471 935.2000       104.8187 230.0333 14.77650 196.0788 11.22844 33.95453       18.55863 
1 1 1 13  -4  15 o 34.32426 15.61785 -32.07707      56.19205 -183.0994      152.0063 -8.172374      60.47596 48.54118 23.20842 39.29285 17.12825 9.248329       28.84454 
1 1 1 13  -4  16 o 116.4692 12.28315 333.8301       67.36691 517.4843       121.1448 251.6149       81.05509 143.2306 18.09440 99.32883 17.71854 43.90173       25.32497 
1 1 1 13  -4  17 o 223.5183 10.14745 1213.501       108.1544 1165.032       197.2671 1234.333       129.3240 214.5364 19.44385 224.6940 12.08314 -10.15762      22.89248 
1 1 1 13  -4  18 o 237.7777 10.53450 1375.999       119.4577 1142.778       219.3323 1474.358       142.4373 210.3255 22.14422 245.4188 12.17773 -35.09328      25.27179 
1 1 1 13  -4  19 o 83.99037 23.20130 188.6252       96.24549 -11.72826      315.4753 209.1868       101.0636 83.04032 37.47162 88.26210 23.52466 -5.221779      44.24400 
1 1 1 13  -4  20 o 153.1096 20.42042 606.5616       145.7538 282.3678       227.9608 830.7410       189.5639 100.3480 36.59296 177.9579 22.80417 -77.60986      43.11699 
1 1 1 13  -4  21 o 127.1390 28.77648 453.9074       170.8229 581.4264       365.4811 418.2638       193.2275 130.1843 46.48317 119.4652 32.82486 10.71914       56.90480 
1 1 1 13  -4  22 f 95.16719 24.36261 248.9746       111.3061 348.8135       230.6438 218.6638       127.0839 106.9300 37.02673 88.62328 27.30488 18.30672       46.00582 
1 1 1 13  -4  23 o 230.3509 15.10400 1335.428       165.4198 1290.596       295.0362 1355.983       199.7740 211.9059 29.95664 229.4150 18.36746 -17.50917      35.13921 
1 1 1 13  -4  24 o 122.9309 29.67424 451.4978       172.3995 1109.853       431.3967 326.3720       188.0703 163.3537 50.30370 101.7786 33.43537 61.57510       60.40187 
1 1 1 13  -4  25 o 100.3247 25.47011 291.4585       122.3631 684.2192       453.4184 260.6074       127.0780 120.6642 49.39817 93.95942 26.91275 26.70480       56.25367 
1 1 1 13  -4  26 o 64.00838 28.69051 13.69944       181.4892 -48.24213      474.8264 24.29696       196.4020 83.54057 40.22221 66.63236 29.85790 16.90821       50.09312 
1 1 1 13  -4  27 o 85.28233 27.45281 225.5570       127.1365 136.2506       493.0886 231.9169       131.5856 86.39024 41.43669 86.12929 27.94629 0.2609558      49.97995 
1 1 1 13  -4  28 f 63.57687 29.07715 16.80868       198.0199 273.2061       518.3642 -27.00082      214.2704 87.39153 42.06348 62.43530 29.14233 24.95623       51.17237 
1 1 1 13  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -3  11 o 35.87944 11.75828 30.00356       23.26510 89.14264       55.25399 17.25944       25.64965 59.70947 17.92586 31.85200 12.14133 27.85747       21.65059 
1 1 1 13  -3  12 f 231.9544 7.823533 1295.759       86.63470 1277.946       137.9862 1307.349       111.3079 228.9837 12.65361 232.4344 10.04020 -3.450653      16.15301 
1 1 1 13  -3  13 o 141.8191 9.332447 487.2661       62.92430 572.2535       118.1613 453.6244       74.34240 151.7090 16.55988 136.3340 11.51327 15.37497       20.16891 
1 1 1 13  -3  14 o 71.04605 17.74986 129.5247       60.11188 0.000000       0.000000 129.5247       60.11188 ?        ?        71.04605 17.74986 0.000000       17.74986 
1 1 1 13  -3  15 o 65.44191 18.54934 109.1714       60.68173 2.122618       138.6248 134.5459       67.49155 60.43669 26.14113 72.28578 19.20510 -11.84909      32.43755 
1 1 1 13  -3  16 o 143.6613 10.88580 502.5632       74.21029 477.6202       127.4585 515.3551       91.27695 137.0954 20.03819 144.8366 13.33125 -7.741257      24.06764 
1 1 1 13  -3  17 o 77.71342 19.75497 156.4280       73.54456 -126.9789      183.6807 210.5368       80.25874 58.59286 27.22514 90.40244 19.16526 -31.80958      33.29438 
1 1 1 13  -3  18 o 64.60486 22.27023 98.80829       83.40066 -219.3515      204.4050 162.3537       91.35048 56.92712 27.13353 78.92672 22.88317 -21.99960      35.49462 
1 1 1 13  -3  19 o 255.9868 12.98259 1605.167       158.3678 1810.905       248.6891 1464.819       205.4004 267.9450 19.54794 241.9018 17.88698 26.04318       26.49652 
1 1 1 13  -3  20 o 239.3418 17.69834 1438.002       201.0833 0.000000       0.000000 1438.002       201.0833 ?        ?        239.3418 17.69834 0.000000       17.69834 
1 1 1 13  -3  21 o 248.1253 15.47432 1530.978       182.6518 1412.715       352.6622 1574.331       213.5210 222.6933 34.21708 249.9488 17.98853 -27.25557      38.65741 
1 1 1 13  -3  22 o 72.60678 27.85098 114.6528       135.5270 -173.0323      219.6388 291.5338       172.2229 60.93389 28.77367 101.1751 31.88302 -40.24124      42.94707 
1 1 1 13  -3  23 o 70.86398 28.21165 96.90430       143.3756 31.97247       232.4172 136.7946       182.1683 75.73499 33.28079 79.98547 31.81407 -4.250488      46.04070 
1 1 1 13  -3  24 o 280.3781 15.94566 1976.680       212.8633 1998.840       442.0717 1969.991       242.8730 256.4217 37.14046 277.6567 18.40007 -21.23508      41.44848 
1 1 1 13  -3  25 o 67.56390 26.19465 101.9912       120.8088 -27.70925      437.0901 112.7190       125.7057 87.18656 40.99120 69.67924 26.79853 17.50732       48.97387 
1 1 1 13  -3  26 o 77.89024 30.86229 153.4504       170.8080 368.5594       273.2085 15.42016       218.8527 103.3010 39.56396 69.69672 31.35123 33.60432       50.47976 
1 1 1 13  -3  27 o 118.2144 31.88333 443.1109       184.2968 433.8853       295.2066 449.0030       235.9191 107.2898 41.11732 112.9826 37.46237 -5.692848      55.62430 
1 1 1 13  -3  28 o 85.09216 28.20913 222.3531       133.7696 187.4451       297.3716 231.2090       149.7797 84.42652 37.34950 85.96394 29.83430 -1.537415      47.80241 
1 1 1 13  -3  29 o 71.20943 27.74678 142.8607       136.0790 132.1227       312.8359 145.3666       151.1254 78.87847 36.25036 72.21851 28.89289 6.659958       46.35609 
1 1 1 13  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  11 o 158.7834 7.647514 607.2331       57.88351 612.3128       85.88707 603.0059       78.35037 158.7288 11.39363 157.7176 10.44981 1.011230       15.46006 
1 1 1 13  -2  12 o 81.14337 12.20279 162.9593       45.87481 147.6033       76.99274 171.4117       57.12156 75.82629 20.67416 82.61369 15.01530 -6.787407      25.55152 
1 1 1 13  -2  13 o 59.55494 15.55762 89.92001       44.77438 136.5693       108.5907 80.36466       49.14656 75.11465 25.42336 56.76957 16.87374 18.34508       30.51344 
1 1 1 13  -2  14 o 90.34875 13.94261 203.2531       58.28897 379.3255       114.8033 142.0986       67.65855 122.0225 20.39864 74.37729 18.97003 47.64523       27.85618 
1 1 1 13  -2  15 o 184.3776 10.34362 824.1097       90.81222 871.5724       161.6674 802.2299       109.7660 186.9290 18.32516 181.2519 12.74840 5.677063       22.32338 
1 1 1 13  -2  16 o 138.0543 13.45641 468.4891       87.68924 553.2352       165.4733 435.3971       103.4021 145.8806 24.59997 132.0431 16.75649 13.83752       29.76472 
1 1 1 13  -2  17 o 58.91018 22.11287 68.75978       84.32317 193.0149       166.3065 25.76157       97.83116 88.58202 31.38400 54.64249 22.71320 33.93952       38.74074 
1 1 1 13  -2  18 o 125.8328 17.96786 398.8642       105.0273 398.2955       196.4558 399.0918       124.2781 119.8987 33.15831 124.5032 21.66528 -4.604538      39.60881 
1 1 1 13  -2  19 o 103.9778 26.82349 289.6278       134.2199 347.1475       233.7215 261.3242       163.9499 111.9664 37.29234 98.72034 31.10759 13.24609       48.56337 
1 1 1 13  -2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -2  21 o 111.1825 24.94631 330.7286       129.3338 590.8591       188.6185 99.88907       177.6822 148.0443 27.66622 76.76051 31.11005 71.28375       41.63239 
1 1 1 13  -2  22 f 231.5383 15.98437 1334.973       175.8544 1490.426       339.9524 1278.177       205.4831 232.3005 31.41409 224.4817 19.33460 7.818817       36.88729 
1 1 1 13  -2  23 f 194.7093 16.82990 952.4845       155.1302 1214.187       242.8854 772.1711       201.6095 214.8689 24.05639 169.8995 25.61604 44.96945       35.14102 
1 1 1 13  -2  24 o 218.0007 16.83024 1195.602       174.0536 1012.966       376.1850 1245.349       196.3324 175.6917 44.68829 221.2147 18.74009 -45.52296      48.45858 
1 1 1 13  -2  25 o 124.0971 21.12315 405.9814       120.8369 375.1887       235.5380 416.9809       140.7742 110.6314 37.44272 123.8332 24.64516 -13.20173      44.82568 
1 1 1 13  -2  26 o 212.8036 15.66683 1143.513       158.2753 1584.562       278.8855 933.9634       192.2324 241.9299 24.44676 187.5957 21.84163 54.33415       32.78263 
1 1 1 13  -2  27 o 99.30967 31.36941 302.4374       166.6271 107.8132       250.4015 457.1092       223.2255 80.00986 34.86553 117.6713 36.17627 -37.66148      50.24269 
1 1 1 13  -2  28 o 64.77235 29.53496 -19.70107      202.3203 -88.98077      458.6868 -2.966380      225.4354 82.95611 39.83545 68.66024 31.25697 14.29587       50.63459 
1 1 1 13  -2  29 o 60.65932 28.46552 -84.66843      209.0587 315.7982       475.8051 -180.4760      232.7266 95.96464 44.31964 58.85247 28.29042 37.11217       52.57925 
1 1 1 13  -2  30 o 72.34247 32.02587 100.0862       219.0106 216.1232       497.5608 72.20166       243.9101 87.70762 41.94941 72.09973 32.70062 15.60789       53.18913 
1 1 1 13  -2  31 o 67.61152 30.94840 49.18792       224.9511 -105.9614      519.9437 84.91686       249.5120 76.61075 37.94313 71.51466 32.68173 5.096092       50.07771 
1 1 1 13  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  10 o 257.7614 7.020811 1595.730       86.43881 1462.480       122.4334 1728.155       122.0534 246.0510 10.43165 267.7238 9.551046 -21.67279      14.14361 
1 1 1 13  -1  11 o 92.76195 13.34208 212.7792       57.47007 0.000000       0.000000 212.7792       57.47007 ?        ?        92.76195 13.34208 0.000000       13.34208 
1 1 1 13  -1  12 o 110.8715 10.61158 299.2884       55.56251 327.7946       80.41189 273.2430       76.86273 115.1001 14.96702 104.6998 15.85079 10.40032       21.80044 
1 1 1 13  -1  13 o 104.5783 12.33314 268.4059       60.47825 196.8334       95.15257 316.9169       78.33718 87.20499 22.62983 113.1535 14.83794 -25.94852      27.06055 
1 1 1 13  -1  14 o 175.1561 10.05725 742.3748       83.86545 873.2336       130.3023 649.8298       109.5789 188.8237 14.54606 162.8268 14.21894 25.99689       20.34124 
1 1 1 13  -1  15 o 167.2049 11.26029 679.1918       89.48846 796.3947       140.7417 599.6511       115.9439 179.5217 16.58568 155.8360 15.77946 23.68570       22.89271 
1 1 1 13  -1  16 o 125.3983 13.57870 386.8602       80.10901 293.3801       155.0005 420.9308       93.57571 104.7235 29.63322 130.3850 15.30250 -25.66153      33.35108 
1 1 1 13  -1  17 o 61.42134 23.22105 73.31731       93.35720 36.82460       165.4261 90.37098       113.0863 69.17608 29.19535 67.46715 25.54576 1.708931       38.79374 
1 1 1 13  -1  18 o 71.11034 25.06087 117.5731       105.9315 -91.77576      182.9070 223.2338       129.9426 61.06849 27.93582 92.02257 27.45803 -30.95408      39.17083 
1 1 1 13  -1  19 o 310.1118 13.89939 2351.642       205.5500 2265.599       292.4295 2435.668       288.9842 300.4682 20.47944 312.3015 19.45150 -11.83334      28.24479 
1 1 1 13  -1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  -1  21 o 281.8001 14.58377 1949.553       195.8120 1793.793       301.6873 2062.936       257.3966 264.3315 24.13871 287.4125 18.83601 -23.08093      30.61817 
1 1 1 13  -1  22 o 101.8456 26.22067 278.9523       128.4304 217.0444       279.7597 295.4832       144.5640 98.77558 39.38008 104.2186 28.29336 -5.442978      48.49026 
1 1 1 13  -1  23 o 62.26775 24.89928 62.62269       112.1776 256.0198       189.5957 -41.54633      139.1467 97.15811 33.57412 55.66514 25.02245 41.49297       41.87296 
1 1 1 13  -1  24 o 210.1937 17.82727 1113.786       177.4601 1786.964       359.1826 896.3976       204.1122 255.4946 29.97462 184.8542 23.63570 70.64041       38.17230 
1 1 1 13  -1  25 o 164.0662 18.85603 688.0580       145.2175 896.8204       238.2188 564.6030       183.1910 180.7013 28.51929 143.2179 27.75699 37.48341       39.79699 
1 1 1 13  -1  26 o 114.0953 25.92583 358.5998       138.1953 322.6686       232.9478 378.1129       171.6667 104.4981 37.13158 114.5203 30.72108 -10.02224      48.19273 
1 1 1 13  -1  27 o 65.12096 27.79257 43.35384       152.7847 670.3585       398.9222 -64.42764      165.3960 132.4365 48.38985 57.66415 26.44813 74.77231       55.14600 
1 1 1 13  -1  28 o 85.28362 30.83816 207.6349       161.4365 29.24363       423.6029 237.9470       174.6142 87.73032 40.95772 89.76078 32.12037 -2.030457      52.05048 
1 1 1 13  -1  29 o 59.94373 26.32083 18.79531       145.1117 -171.7190      260.7397 104.2828       174.6604 63.67363 30.43062 72.26222 30.21663 -8.588589      42.88435 
1 1 1 13  -1  30 o 92.13702 34.53736 279.3494       205.5502 514.6266       278.1780 -3.601264      305.0621 115.2519 40.61164 74.89012 34.89475 40.36173       53.54390 
1 1 1 13  -1  31 o 95.85100 35.32590 337.7064       213.3307 303.1140       290.4386 378.2345       314.3709 90.21814 38.40546 95.55907 40.28407 -5.340927      55.65775 
1 1 1 13  -1  32 o 80.46790 33.74466 218.5278       218.7793 242.9612       299.8367 190.7079       319.9424 83.03239 37.07161 80.30479 36.81472 2.727608       52.24584 
1 1 1 13  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   9  o 211.2894 10.20331 1077.909       102.7641 0.000000       0.000000 1077.909       102.7641 ?        ?        211.2894 10.20331 0.000000       10.20331 
1 1 1 13  0   10 o 32.31287 13.02768 11.42754       30.97650 0.2302262      39.23188 29.96509       50.47873 33.10047 14.10374 43.59455 16.92389 -10.49408      22.03029 
1 1 1 13  0   11 o 161.4346 9.007704 628.7833       69.24580 693.0416       94.27834 553.5121       102.0380 168.9804 11.74296 150.3241 14.37274 18.65634       18.55998 
1 1 1 13  0   12 o 132.4070 10.12308 424.8534       63.59556 401.2511       85.30983 454.3758       95.41091 127.8047 14.20138 135.9137 14.92886 -8.109001      20.60461 
1 1 1 13  0   13 o 240.7317 8.749600 1395.631       100.5326 1354.043       141.4965 1438.026       142.8624 236.1814 12.57651 243.4909 12.31228 -7.309555      17.60003 
1 1 1 13  0   14 o 180.3724 10.53293 787.4821       90.43439 782.9379       128.8417 791.8949       126.9660 178.6518 15.22992 179.7731 14.90641 -1.121338      21.31083 
1 1 1 13  0   15 o 48.77836 20.21902 18.54211       77.21996 -6.580707      116.7869 38.05751       102.9316 55.23945 23.94330 57.87853 23.59635 -2.639080      33.61650 
1 1 1 13  0   16 o 178.0779 11.68505 770.4021       98.93344 1007.462       154.5473 605.8075       128.7776 202.3818 16.10557 156.1758 17.55058 46.20602       23.82042 
1 1 1 13  0   17 f 154.5376 15.19443 588.4332       110.8104 567.3576       168.1097 604.6257       147.3531 148.2849 24.57289 154.8820 20.39499 -6.597198      31.93403 
1 1 1 13  0   18 o 97.49957 20.58566 244.7723       92.94067 303.3756       119.4007 154.6756       148.0472 107.7892 23.80630 81.80986 29.53844 25.97935       37.93757 
1 1 1 13  0   19 o 182.4480 19.92313 836.7741       170.9611 937.3844       245.9611 742.7325       237.7965 188.9418 28.08151 166.1785 31.07316 22.76328       41.88212 
1 1 1 13  0   20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0   21 o 102.9059 31.33047 286.0397       167.9530 490.2640       225.1679 29.91752       252.1601 132.1372 35.06604 80.99565 35.14439 51.14153       49.64631 
1 1 1 13  0   22 o 88.91125 27.35347 207.7138       127.5934 300.3126       147.9453 -61.11419      252.0784 105.4428 28.62091 74.32276 33.52057 31.12004       44.07704 
1 1 1 13  0   23 o 262.4492 15.26919 1698.200       190.7612 1654.260       254.1896 1754.857       288.6357 255.6140 20.98467 261.6342 23.31943 -6.020187      31.37120 
1 1 1 13  0   24 o 88.60817 33.06949 191.0074       188.0289 152.0787       262.8134 231.8284       269.1249 90.70613 37.42126 98.58300 38.83971 -7.876869      53.93398 
1 1 1 13  0   25 o 83.55814 26.77192 185.4312       121.0084 187.7836       172.0197 183.1267       170.2573 86.52399 31.74989 85.76961 31.56764 0.7543793      44.77244 
1 1 1 13  0   26 o 214.9677 16.15694 1157.135       164.8356 1071.850       235.0860 1239.616       231.1883 200.6925 25.04477 218.0491 22.49973 -17.35661      33.66717 
1 1 1 13  0   27 o 144.2106 26.24476 567.7155       174.2817 449.6414       358.4101 604.2802       199.4499 117.7754 45.26232 146.5930 29.48133 -28.81760      54.01691 
1 1 1 13  0   28 o 56.14409 26.53444 -147.7815      187.5219 -234.4963      237.3200 -3.650653      305.9609 59.68535 28.65896 79.97274 36.40966 -20.28739      46.33573 
1 1 1 13  0   29 o 78.20444 32.26337 133.5285       195.3554 387.9145       248.3571 -279.2834      316.3779 107.6138 38.32945 66.73561 32.30284 40.87814       50.12605 
1 1 1 13  0   30 o 68.66589 28.55559 89.86562       154.7361 237.6844       260.9923 9.744227       192.1486 89.93578 37.21539 65.68751 29.47598 24.24828       47.47440 
1 1 1 13  0   31 o 71.73172 30.53105 101.3323       183.4984 158.5946       458.2650 90.39789       200.2532 89.53433 42.05646 72.19182 31.32170 17.34251       52.43849 
1 1 1 13  0   32 o 123.9038 41.26090 648.3881       286.1152 721.5250       486.8642 609.8050       353.6210 108.6541 47.94119 111.2618 44.30201 -2.607735      65.27654 
1 1 1 13  0   33 o 51.67624 25.03839 -169.0450      191.2916 584.0563       496.3869 -300.3932      207.3031 96.36839 44.77008 48.63110 24.06278 47.73729       50.82693 
1 1 1 13  1   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1   7  o 363.5324 10.08782 3182.763       175.1575 0.000000       0.000000 3182.763       175.1575 ?        ?        363.5324 10.08782 0.000000       10.08782 
1 1 1 13  1   8  o 158.3154 7.605490 602.8416       57.39667 0.000000       0.000000 602.8416       57.39667 ?        ?        158.3154 7.605490 0.000000       7.605490 
1 1 1 13  1   9  o 133.9841 7.955876 432.4951       50.73292 0.000000       0.000000 432.4951       50.73292 ?        ?        133.9841 7.955876 0.000000       7.955876 
1 1 1 13  1   10 o 100.3158 10.82248 245.2879       51.08395 289.4591       66.62717 182.2867       79.57131 108.6288 13.09288 84.50255 20.00756 24.12622       23.91079 
1 1 1 13  1   11 o 112.1283 10.82795 305.8430       57.32445 277.8969       73.19132 350.1883       92.19817 105.9988 14.84956 118.7520 16.70028 -12.75318      22.34746 
1 1 1 13  1   12 o 38.70650 16.32620 4.648941       51.68114 -39.76647      63.72099 90.03036       88.34812 36.28792 16.55756 64.20366 22.86162 -27.91574      28.22776 
1 1 1 13  1   13 o 152.2178 10.91531 561.6664       78.90734 549.9075       103.5840 577.9249       121.7996 149.7769 14.65295 152.9593 16.93922 -3.182388      22.39746 
1 1 1 13  1   14 o 233.6695 10.36630 1318.647       115.5186 1341.793       150.5574 1285.518       180.1260 234.9010 13.46268 228.9060 16.57147 5.994934       21.35082 
1 1 1 13  1   15 o 174.3877 11.20203 737.1823       92.90044 824.1597       129.9599 646.2935       132.8499 183.4736 14.94522 161.5961 17.47338 21.87746       22.99301 
1 1 1 13  1   16 o 92.12978 18.11166 215.1641       76.92986 181.1609       135.0249 231.5070       93.60899 85.48447 28.34125 94.90420 21.16993 -9.419724      35.37502 
1 1 1 13  1   17 o 177.9007 14.14329 774.2402       119.3024 815.5498       168.1294 732.3458       169.3150 180.7004 19.78451 170.5825 21.21858 10.11792       29.01129 
1 1 1 13  1   18 o 68.09941 22.55461 111.8687       85.52180 91.92873       100.4707 164.3220       162.9537 66.08686 24.26224 84.95663 30.94487 -18.86977      39.32227 
1 1 1 13  1   19 o 129.6717 22.12000 430.7755       132.2161 650.8904       247.3587 342.7346       156.4389 154.0057 34.45827 113.2113 28.82998 40.79437       44.92817 
1 1 1 13  1   20 o 100.1865 23.84305 263.1062       112.5441 180.3038       160.7761 342.6636       157.5943 86.61317 30.84043 112.8991 29.03478 -26.28595      42.35741 
1 1 1 13  1   21 o 161.5358 20.12692 659.1423       152.0746 729.4511       187.0120 521.8892       261.2917 168.2859 23.91680 135.0282 38.56368 33.25764       45.37808 
1 1 1 13  1   22 o 189.2057 15.94122 885.1963       142.8596 913.2465       209.8957 860.9875       194.9942 188.4852 23.82386 183.5245 22.70780 4.960709       32.91232 
1 1 1 13  1   23 o 98.67026 28.34597 261.0301       140.7730 645.3966       275.7857 125.5942       163.7065 149.7162 38.36006 78.96566 30.52596 70.75053       49.02376 
1 1 1 13  1   24 o 77.99368 28.07210 143.3392       133.5874 124.6077       154.0653 200.0868       268.1594 77.44005 29.69736 96.73044 38.55821 -19.29039      48.66897 
1 1 1 13  1   25 o 70.88715 26.05314 113.5724       115.9016 173.3630       162.8800 52.24559       164.9592 84.44084 30.90965 69.72327 29.27420 14.71757       42.57211 
1 1 1 13  1   26 o 143.9799 24.06206 548.9639       159.7908 433.1989       292.5603 598.1799       190.7569 119.1519 41.67450 148.0357 27.97779 -28.88380      50.19482 
1 1 1 13  1   27 o 148.7333 24.35754 590.4072       167.2110 577.3898       200.4968 620.1438       303.0341 143.1831 30.23900 138.8890 42.04268 4.294067       51.78787 
1 1 1 13  1   28 o 153.7302 20.60843 614.8510       147.6532 596.9643       212.7946 631.4590       205.0470 143.8671 31.78623 149.7060 29.69760 -5.838974      43.50071 
1 1 1 13  1   29 o 96.24356 36.49580 267.5626       231.0156 536.9368       328.5009 3.998122       324.9391 123.5072 44.07218 81.95403 37.39264 41.55318       57.79763 
1 1 1 13  1   30 o 104.1825 37.75596 359.8192       242.1627 264.7388       348.6064 448.4873       336.6463 96.45924 41.58707 110.5499 43.47463 -14.09068      60.16251 
1 1 1 13  1   31 o 69.58858 28.37353 104.0693       148.8483 191.4402       214.7353 23.26179       206.5121 83.69458 34.09659 68.28011 30.60493 15.41447       45.81745 
1 1 1 13  1   32 o 128.0870 32.76651 537.0017       201.4405 420.6399       239.8139 815.8607       371.2456 106.8345 37.70201 133.7653 46.93363 -26.93088      60.20139 
1 1 1 13  1   33 o 90.62815 31.51810 281.4036       167.2055 345.2369       239.8027 221.0051       233.2617 94.28857 36.80661 82.38971 34.71458 11.89886       50.59475 
1 1 1 13  2   0  o 211.1073 7.772219 1070.684       78.30952 0.000000       0.000000 1070.684       78.30952 ?        ?        211.1073 7.772219 0.000000       7.772219 
1 1 1 13  2   1  o 141.1502 8.500703 480.0171       57.09883 0.000000       0.000000 480.0171       57.09883 ?        ?        141.1502 8.500703 0.000000       8.500703 
1 1 1 13  2   2  o 306.5685 7.220722 2253.521       105.8319 0.000000       0.000000 2253.521       105.8319 ?        ?        306.5685 7.220722 0.000000       7.220722 
1 1 1 13  2   3  o 24.85631 11.04727 -9.800334      26.31600 0.000000       0.000000 -9.800334      26.31600 ?        ?        24.85631 11.04727 0.000000       11.04727 
1 1 1 13  2   4  o 412.0151 7.132084 4069.877       140.4876 0.000000       0.000000 4069.877       140.4876 ?        ?        412.0151 7.132084 0.000000       7.132084 
1 1 1 13  2   5  o 307.2824 7.200104 2263.908       105.7754 0.000000       0.000000 2263.908       105.7754 ?        ?        307.2824 7.200104 0.000000       7.200104 
1 1 1 13  2   6  o 274.6764 7.184178 1810.205       94.26138 0.000000       0.000000 1810.205       94.26138 ?        ?        274.6764 7.184178 0.000000       7.184178 
1 1 1 13  2   7  o 261.2668 7.416679 1638.376       92.54700 0.000000       0.000000 1638.376       92.54700 ?        ?        261.2668 7.416679 0.000000       7.416679 
1 1 1 13  2   8  f 152.5799 8.512857 560.6762       61.85227 0.000000       0.000000 560.6762       61.85227 ?        ?        152.5799 8.512857 0.000000       8.512857 
1 1 1 13  2   9  o 260.2062 7.665051 1625.844       95.25053 0.000000       0.000000 1625.844       95.25053 ?        ?        260.2062 7.665051 0.000000       7.665051 
1 1 1 13  2   10 o 329.5700 7.867487 2606.792       123.9630 2718.328       164.3738 2459.695       188.7668 335.9286 10.24673 318.9614 12.40246 16.96729       16.08777 
1 1 1 13  2   11 o 219.0724 8.823507 1155.060       92.22483 1191.186       117.4941 1097.080       148.8500 222.0432 11.10325 212.1954 14.76461 9.847824       18.47365 
1 1 1 13  2   12 o 256.6426 8.864618 1584.928       108.6037 1722.161       140.6422 1382.230       170.9268 267.0584 11.03922 238.1323 15.09119 28.92612       18.69782 
1 1 1 13  2   13 o 235.4298 9.489985 1335.664       106.5969 1405.315       137.2271 1229.694       169.2664 240.9417 11.95025 224.2478 15.89120 16.69391       19.88313 
1 1 1 13  2   14 o 75.50951 18.35329 145.1140       65.59995 170.2464       97.56253 124.3755       88.62483 81.72417 23.63482 71.34944 22.91635 10.37473       32.92056 
1 1 1 13  2   15 o 217.9819 11.52088 1150.438       119.6381 1103.519       157.5176 1214.405       183.9225 212.3477 15.62518 222.1911 17.45412 -9.843384      23.42632 
1 1 1 13  2   16 o 59.90603 24.06348 47.62113       105.2659 103.8686       135.3294 -38.54808      167.5008 73.37791 27.90780 63.01371 27.94606 10.36421       39.49465 
1 1 1 13  2   17 o 157.6182 14.55105 608.9737       108.4130 715.0783       162.6888 524.2201       145.4017 168.9539 20.56406 143.8877 21.82038 25.06618       29.98348 
1 1 1 13  2   18 o 108.3814 20.92297 300.1592       104.4879 363.2036       172.3275 263.5067       131.3964 116.5565 30.55726 100.1710 26.87972 16.38548       40.69724 
1 1 1 13  2   19 o 88.99606 29.12078 200.2615       142.7240 213.0921       159.4482 148.5437       320.1230 92.00192 30.80532 99.20624 41.14867 -7.204315      51.40215 
1 1 1 13  2   20 o 279.2206 16.35645 1916.994       217.3896 1807.015       316.0829 2015.710       299.4608 266.1060 25.14307 283.0230 22.31178 -16.91705      33.61531 
1 1 1 13  2   21 o 75.77974 32.44874 33.08716       209.5142 0.3146846E-02  277.5223 76.93246       319.4849 82.53220 36.31393 92.81992 39.91285 -10.28772      53.96052 
1 1 1 13  2   22 o 118.8320 29.33588 381.4526       165.6467 733.8612       279.4060 190.4610       205.6930 161.3325 37.01250 91.47366 34.49353 69.85888       50.59376 
1 1 1 13  2   23 o 313.4007 15.67301 2416.639       234.0887 2604.223       327.0722 2219.641       335.1793 321.4814 21.40227 294.7655 23.99169 26.71588       32.15055 
1 1 1 13  2   24 o 70.14819 28.92821 61.03866       156.9704 34.75006       177.0316 157.7102       339.4817 70.54527 30.00581 99.58820 41.91547 -29.04293      51.54858 
1 1 1 13  2   25 o 55.48549 24.94427 -45.74931      138.3184 -14.44211      187.7990 -82.86822      204.4885 67.55458 29.79230 65.14610 29.70054 2.408478       42.06784 
1 1 1 13  2   26 o 125.9048 36.96793 466.0846       237.0866 503.1484       313.1340 416.2944       362.9330 127.7616 43.17228 119.0774 45.60165 8.684212       62.79615 
1 1 1 13  2   27 o 224.5745 16.98433 1264.472       181.0030 1455.990       240.8253 1015.824       274.4029 237.9094 21.40149 191.1872 31.08777 46.72212       37.74219 
1 1 1 13  2   28 o 169.3736 23.48043 758.2228       185.0268 822.9104       214.8265 572.3665       364.1380 174.2944 26.62403 129.9979 46.39978 44.29654       53.49560 
1 1 1 13  2   29 o 217.1773 19.80405 1214.274       203.3655 1022.988       341.4084 1319.471       253.1841 179.9210 40.65167 222.6965 24.16714 -42.77553      47.29280 
1 1 1 13  2   30 o 108.3834 35.27353 367.1084       209.5451 367.1084       209.5451 0.000000       0.000000 108.3834 35.27353 ?        ?        0.000000       35.27353 
1 1 1 13  2   31 o 77.15875 29.18382 157.8712       147.4964 203.3968       209.5838 113.1978       207.6131 85.74579 34.11796 76.62992 32.54029 9.115868       47.14770 
1 1 1 13  2   32 o 116.3030 33.34199 442.0043       194.9633 606.3245       233.3047 61.62745       354.9645 134.3652 35.71090 82.20208 38.07474 52.16315       52.20109 
1 1 1 13  2   33 o 110.4814 33.73564 420.2865       194.5410 489.3343       383.9299 396.4340       225.6550 103.5156 44.11413 103.7801 36.57661 -0.2644806     57.30537 
1 1 1 13  2   34 o 109.1886 39.92515 524.5183       271.6399 494.6869       399.3571 550.2040       370.5698 97.28281 43.14728 102.2076 43.44057 -4.924751      61.22721 
1 1 1 13  3   0  o 248.8188 7.476375 1485.882       88.83617 0.000000       0.000000 1485.882       88.83617 ?        ?        248.8188 7.476375 0.000000       7.476375 
1 1 1 13  3   1  o 181.7176 7.937890 793.5542       68.79572 0.000000       0.000000 793.5542       68.79572 ?        ?        181.7176 7.937890 0.000000       7.937890 
1 1 1 13  3   2  o 226.2737 7.389288 1228.765       79.82926 0.000000       0.000000 1228.765       79.82926 ?        ?        226.2737 7.389288 0.000000       7.389288 
1 1 1 13  3   3  o 262.1787 7.362257 1649.121       92.19057 0.000000       0.000000 1649.121       92.19057 ?        ?        262.1787 7.362257 0.000000       7.362257 
1 1 1 13  3   4  o 323.8277 7.368049 2513.874       114.0709 0.000000       0.000000 2513.874       114.0709 ?        ?        323.8277 7.368049 0.000000       7.368049 
1 1 1 13  3   5  o 221.8098 7.501326 1180.909       79.43315 0.000000       0.000000 1180.909       79.43315 ?        ?        221.8098 7.501326 0.000000       7.501326 
1 1 1 13  3   6  o 42.55871 12.64635 44.22865       27.60882 0.000000       0.000000 44.22865       27.60882 ?        ?        42.55871 12.64635 0.000000       12.64635 
1 1 1 13  3   7  o 205.0538 8.230134 1010.396       80.51926 0.000000       0.000000 1010.396       80.51926 ?        ?        205.0538 8.230134 0.000000       8.230134 
1 1 1 13  3   8  o 269.8603 7.735743 1748.015       99.70134 0.000000       0.000000 1748.015       99.70134 ?        ?        269.8603 7.735743 0.000000       7.735743 
1 1 1 13  3   9  o 510.8301 7.613039 6258.406       185.9272 0.000000       0.000000 6258.406       185.9272 ?        ?        510.8301 7.613039 0.000000       7.613039 
1 1 1 13  3   10 o 154.5387 9.626106 576.2031       70.76758 587.4883       89.19200 557.0265       116.2675 155.6430 12.08091 150.6091 16.41248 5.033936       20.37935 
1 1 1 13  3   11 o 133.7373 10.83739 433.3892       68.69918 499.9001       89.30202 336.9599       107.5274 143.2621 13.18615 115.7360 20.16564 27.52608       24.09414 
1 1 1 13  3   12 o 199.3217 10.24613 958.5754       97.31116 912.7435       119.1421 1050.421       168.6592 193.9509 12.92258 206.9953 17.19801 -13.04434      21.51196 
1 1 1 13  3   13 o 176.1978 11.67248 752.1167       97.77256 790.0649       118.0454 669.2037       174.4877 180.1381 13.81213 163.0052 23.03093 17.13295       26.85514 
1 1 1 13  3   14 o 259.9797 12.67890 1637.711       157.1150 1857.969       214.8889 1384.730       230.2990 275.7426 16.37427 236.3680 20.58468 39.37459       26.30296 
1 1 1 13  3   15 o 92.14047 19.30655 215.7918       82.32132 259.8858       115.7346 170.6376       117.1176 100.1975 24.39246 82.73967 26.31945 17.45784       35.88462 
1 1 1 13  3   16 o 322.8263 12.27034 2523.044       189.0351 2316.886       282.6738 2689.828       254.2513 306.4453 19.39357 331.8610 16.07281 -25.41571      25.18821 
1 1 1 13  3   17 o 134.2377 17.37801 447.6215       108.9131 509.2043       125.7331 262.5324       217.9768 142.8554 18.87069 102.9661 35.97512 39.88936       40.62404 
1 1 1 13  3   18 o 372.4164 16.03215 3390.375       284.7806 3522.425       400.1174 3254.804       405.4161 375.7256 22.37587 360.2264 23.67175 15.49915       32.57347 
1 1 1 13  3   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  3   20 o 70.95844 27.55223 90.61134       133.8095 186.3191       165.5427 -89.78384      227.2735 88.38853 31.31219 69.54206 31.55055 18.84647       44.45099 
1 1 1 13  3   21 o 123.6141 25.73205 400.5247       147.1207 204.6451       186.0932 727.0042       240.2503 92.26962 33.14245 164.5789 31.68346 -72.30931      45.85045 
1 1 1 13  3   22 o 96.59635 28.72608 247.1873       142.4086 17.14407       184.5730 585.5737       223.8566 70.42913 30.31146 146.3289 32.81043 -75.89979      44.66888 
1 1 1 13  3   23 o 87.96180 31.71420 185.8498       170.5861 168.0232       191.7025 253.6579       373.8813 87.45709 33.22672 109.8196 44.89578 -22.36254      55.85379 
1 1 1 13  3   24 o 144.5323 26.32626 550.4272       175.2125 632.4258       197.9422 253.6328       376.5847 154.3686 27.84501 109.6219 44.96405 44.74661       52.88772 
1 1 1 13  3   25 o 259.4962 16.63544 1666.663       205.2959 2112.192       279.1884 1142.150       302.9266 289.9180 20.27023 205.4053 31.88025 84.51262       37.77873 
1 1 1 13  3   26 o 188.7188 23.48480 920.4816       207.3184 1011.199       342.0766 867.8162       260.6401 186.0100 39.67701 177.8793 31.81645 8.130692       50.85815 
1 1 1 13  3   27 o 54.26376 25.65228 -161.1518      175.4683 -203.3654      197.1149 0.4400556E-03  385.1335 55.94415 26.65949 91.09747 41.22661 -35.15333      49.09543 
1 1 1 13  3   28 o 104.4532 34.51033 313.2776       200.2554 14.06924       360.4650 446.8472       240.8408 88.65067 40.02415 121.6240 37.60927 -32.97330      54.92167 
1 1 1 13  3   29 o 135.3255 32.68359 533.1611       209.0534 686.5944       242.1037 83.45367       414.4830 153.0745 33.96952 95.39371 43.00711 57.68080       54.80456 
1 1 1 13  3   30 o 96.08936 32.28439 266.0823       175.1132 241.0647       244.1993 292.5646       251.2459 94.71435 37.09291 100.3701 38.06034 -5.655792      53.14577 
1 1 1 13  3   31 o 93.85848 35.22917 262.7844       214.0167 -121.6463      381.9904 438.6662       258.3770 79.39215 37.62523 113.8617 39.20037 -34.46951      54.33532 
1 1 1 13  3   32 o 111.4433 41.61198 468.0634       297.7908 661.8519       405.6642 241.5991       438.5333 121.9488 47.79352 95.30458 43.46698 26.64420       64.60339 
1 1 1 13  3   33 o 73.69460 29.93547 133.0315       164.9520 192.9670       211.0051 38.84190       264.5161 82.62727 33.74722 74.04712 33.76671 8.580147       47.73956 
1 1 1 13  3   34 o 58.57741 26.35908 8.587827       154.8634 -285.7717      217.6979 310.1518       220.3459 51.40723 25.28795 92.09560 35.46449 -40.68837      43.55698 
1 1 1 13  3   35 o 48.58879 23.27857 -119.4231      154.6293 -167.9733      221.9575 -73.63921      215.5415 55.48353 26.90382 59.20578 28.11790 -3.722244      38.91570 
1 1 1 13  4   0  o 193.4960 8.073609 899.5691       74.52344 0.000000       0.000000 899.5691       74.52344 ?        ?        193.4960 8.073609 0.000000       8.073609 
1 1 1 13  4   1  o 201.4293 7.754374 974.2670       74.53597 0.000000       0.000000 974.2670       74.53597 ?        ?        201.4293 7.754374 0.000000       7.754374 
1 1 1 13  4   2  f 276.4734 7.555228 1833.726       99.77045 0.000000       0.000000 1833.726       99.77045 ?        ?        276.4734 7.555228 0.000000       7.555228 
1 1 1 13  4   3  o 102.9913 10.00155 257.1636       48.62724 0.000000       0.000000 257.1636       48.62724 ?        ?        102.9913 10.00155 0.000000       10.00155 
1 1 1 13  4   4  f 333.8621 7.384810 2671.576       117.8731 0.000000       0.000000 2671.576       117.8731 ?        ?        333.8621 7.384810 0.000000       7.384810 
1 1 1 13  4   5  o 201.8925 8.031565 978.9626       77.36796 0.000000       0.000000 978.9626       77.36796 ?        ?        201.8925 8.031565 0.000000       8.031565 
1 1 1 13  4   6  o 604.6452 9.999105 8782.470       289.0481 0.000000       0.000000 8782.470       289.0481 ?        ?        604.6452 9.999105 0.000000       9.999105 
1 1 1 13  4   7  o 312.4594 8.747541 2344.566       130.5450 0.000000       0.000000 2344.566       130.5450 ?        ?        312.4594 8.747541 0.000000       8.747541 
1 1 1 13  4   8  o 393.3106 7.916854 3709.717       148.8664 0.000000       0.000000 3709.717       148.8664 ?        ?        393.3106 7.916854 0.000000       7.916854 
1 1 1 13  4   9  o 286.5715 8.024555 1971.300       109.8334 0.000000       0.000000 1971.300       109.8334 ?        ?        286.5715 8.024555 0.000000       8.024555 
1 1 1 13  4   10 o 435.7885 8.267466 4556.705       172.2489 4703.399       225.4676 4351.075       266.9450 442.2009 10.66488 424.4295 13.17146 17.77142       16.94778 
1 1 1 13  4   11 o 170.0972 10.56677 698.6630       85.50625 750.6136       107.5403 609.3673       140.9908 175.9146 12.87596 156.9309 19.19088 18.98373       23.11018 
1 1 1 13  4   12 o 224.5626 10.31647 1215.646       110.4626 1152.722       133.4454 1352.615       196.8814 218.1524 12.85179 235.0691 17.64749 -16.91672      21.83122 
1 1 1 13  4   13 o 120.4566 16.70594 359.2650       93.62139 324.4106       109.4502 454.3057       180.7354 113.2632 20.98506 131.9595 29.40087 -18.69632      36.12179 
1 1 1 13  4   14 o 185.1035 12.76041 831.6936       112.2333 843.0486       134.6274 805.8206       203.2185 185.7592 15.29451 178.6461 24.43323 7.113113       28.82542 
1 1 1 13  4   15 o 205.3876 11.84328 1021.547       115.8001 1036.578       149.8297 999.2491       182.4904 206.0140 15.32193 201.0307 19.22136 4.983261       24.58093 
1 1 1 13  4   16 o 34.79450 17.21437 -236.8432      105.9823 -195.1298      122.0802 -364.4637      213.5341 41.25304 19.99148 52.95131 25.83603 -11.69827      32.66741 
1 1 1 13  4   17 o 393.7007 12.15492 3749.943       228.5105 3826.375       266.0236 3534.808       446.3103 396.9076 14.04129 375.0576 25.03364 21.85001       28.70263 
1 1 1 13  4   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  4   19 o 84.21314 30.34308 161.5422       156.1247 77.31214       174.9200 491.5115       346.2126 75.75336 30.80635 133.2211 45.39116 -57.46775      54.85790 
1 1 1 13  4   20 o 285.8782 18.41534 2018.230       250.3531 2536.862       334.1268 1354.352       378.0295 318.4768 22.08120 223.5125 36.64535 94.96431       42.78389 
1 1 1 13  4   21 o 249.9963 18.23314 1546.143       216.4249 1457.863       263.6150 1728.679       379.0649 240.2140 23.24436 256.2103 31.61625 -15.99626      39.24140 
1 1 1 13  4   22 o 149.0049 26.12499 579.0281       179.3263 663.7565       201.3215 253.5924       394.5558 159.1199 27.45591 112.2977 46.03885 46.82215       53.60413 
1 1 1 13  4   23 o 282.8860 18.70132 1989.891       251.5063 2070.595       302.6718 1809.851       452.0718 286.2994 22.28825 254.9361 38.27155 31.36325       44.28857 
1 1 1 13  4   24 o 104.1385 32.64668 293.1927       180.8009 295.6895       199.1474 281.4837       431.2579 104.7817 34.40509 115.0223 47.73899 -10.24062      58.84489 
1 1 1 13  4   25 o 137.3503 39.33738 546.9709       271.5098 761.9243       346.4260 204.6796       437.1559 159.0090 44.05366 110.0706 46.99510 48.93839       64.41479 
1 1 1 13  4   26 o 175.4631 27.50952 814.9029       223.1890 1112.767       355.5809 621.2620       286.6999 196.6705 39.19387 145.3353 40.00364 51.33521       56.00402 
1 1 1 13  4   27 o 171.6036 22.14824 758.9808       177.4746 563.5952       231.0304 1040.275       277.2065 140.4214 34.63301 195.3675 30.68913 -54.94614      46.27384 
1 1 1 13  4   28 o 145.1800 32.43375 599.2897       219.4358 400.1358       364.3750 712.6201       274.8699 116.3121 45.38005 154.5966 37.56403 -38.28452      58.91014 
1 1 1 13  4   29 o 193.5469 25.18822 999.5368       227.5492 1024.355       263.6534 927.0768       450.5050 192.3337 29.62221 158.7009 51.72509 33.63281       59.60671 
1 1 1 13  4   30 o 168.0673 24.44277 756.5342       190.6482 656.2078       258.1361 876.9315       282.7806 146.4997 36.88499 171.4775 35.65715 -24.97780      51.30239 
1 1 1 13  4   31 o 146.0964 33.90193 646.6332       232.2134 471.5449       410.3756 729.1008       281.6400 115.2913 47.07272 150.1061 38.92309 -34.81483      61.08066 
1 1 1 13  4   32 o 65.70970 30.06983 -33.80678      212.1725 96.19907       239.7888 -502.6996      455.3908 78.04996 34.06322 72.46702 35.82178 5.582947       49.43180 
1 1 1 13  4   33 o 83.18446 32.68939 199.3052       190.2148 126.7890       257.4471 286.4809       282.2722 80.04247 35.10486 93.62699 38.71907 -13.58452      52.26392 
1 1 1 13  4   34 o 83.42278 35.03350 207.2897       236.3284 250.5176       450.3330 190.8599       277.6303 90.82619 42.34568 83.43535 36.52763 7.390839       55.92338 
1 1 1 13  4   35 o 81.24979 36.98230 198.2535       315.4250 685.3820       636.0815 39.40480       363.2310 97.56220 46.86515 75.52351 36.04522 22.03869       59.12360 
1 1 1 13  5   0  o 512.9562 7.676570 6308.101       188.2590 0.000000       0.000000 6308.101       188.2590 ?        ?        512.9562 7.676570 0.000000       7.676570 
1 1 1 13  5   1  o 228.4374 8.802303 1253.901       95.95300 0.000000       0.000000 1253.901       95.95300 ?        ?        228.4374 8.802303 0.000000       8.802303 
1 1 1 13  5   2  o 336.4137 7.624536 2712.787       122.6296 0.000000       0.000000 2712.787       122.6296 ?        ?        336.4137 7.624536 0.000000       7.624536 
1 1 1 13  5   3  o 544.3180 7.709133 7102.089       200.6165 0.000000       0.000000 7102.089       200.6165 ?        ?        544.3180 7.709133 0.000000       7.709133 
1 1 1 13  5   4  o 66.58974 11.93963 109.8840       36.61438 0.000000       0.000000 109.8840       36.61438 ?        ?        66.58974 11.93963 0.000000       11.93963 
1 1 1 13  5   5  o 67.97604 13.34053 115.1610       41.80598 0.000000       0.000000 115.1610       41.80598 ?        ?        67.97604 13.34053 0.000000       13.34053 
1 1 1 13  5   6  o 242.7429 7.918118 1414.171       91.76888 0.000000       0.000000 1414.171       91.76888 ?        ?        242.7429 7.918118 0.000000       7.918118 
1 1 1 13  5   7  o 272.8426 7.865746 1786.217       102.4960 0.000000       0.000000 1786.217       102.4960 ?        ?        272.8426 7.865746 0.000000       7.865746 
1 1 1 13  5   8  o 263.9215 8.613730 1672.801       108.5406 0.000000       0.000000 1672.801       108.5406 ?        ?        263.9215 8.613730 0.000000       8.613730 
1 1 1 13  5   9  o 275.0240 8.698304 1816.698       114.2265 0.000000       0.000000 1816.698       114.2265 ?        ?        275.0240 8.698304 0.000000       8.698304 
1 1 1 13  5   10 o 327.7423 9.583728 2582.035       150.0060 2707.255       173.6448 2213.746       297.7963 335.3429 10.84516 300.2834 20.87333 35.05951       23.52261 
1 1 1 13  5   11 o 127.3360 12.89349 394.9492       77.41228 312.2914       98.35809 529.4921       125.4870 111.7315 19.09870 146.4365 18.32428 -34.70496      26.46771 
1 1 1 13  5   12 o 434.1148 8.868161 4524.979       184.0545 4649.211       235.6389 4330.587       294.7598 439.3068 11.22863 422.8447 14.60264 16.46213       18.42062 
1 1 1 13  5   13 o 391.1542 9.344007 3676.489       174.7389 3745.777       219.3444 3556.136       289.0864 394.0875 11.65475 382.5310 15.84140 11.55652       19.66680 
1 1 1 13  5   14 o 337.6683 10.10735 2745.578       162.9848 2781.549       199.9509 2674.355       281.3542 339.2690 12.34798 330.7107 17.86123 8.558380       21.71396 
1 1 1 13  5   15 f 172.9556 14.02950 729.0317       115.0121 670.5568       130.2468 936.0447       245.0650 165.1518 16.72624 191.4276 27.57147 -26.27573      32.24830 
1 1 1 13  5   16 f 187.2653 18.41429 865.9337       162.7320 912.8060       209.6250 794.8460       258.1559 190.4641 23.52002 173.8403 32.24865 16.62375       39.91449 
1 1 1 13  5   17 o 258.8842 15.87229 1637.545       195.5064 1699.875       248.2765 1535.811       317.1885 262.1602 19.95892 245.4629 27.50082 16.69731       33.98019 
1 1 1 13  5   18 o 451.6335 16.22163 4979.756       349.6899 4579.899       496.0443 5374.787       493.0418 427.5294 24.36961 465.0081 22.24210 -37.47867      32.99377 
1 1 1 13  5   19 o 84.81761 26.23484 182.4196       117.1826 136.3735       135.2150 321.3443       234.8649 78.27636 28.23370 111.2334 37.38899 -32.95701      46.85166 
1 1 1 13  5   20 o 353.5560 16.27257 3060.266       274.3194 3130.312       362.4905 2966.390       419.6481 354.5139 21.48815 342.0230 25.85533 12.49094       33.61902 
1 1 1 13  5   21 o 89.85485 36.68027 124.0431       249.1197 252.1700       312.2718 -100.2434      413.1561 107.4731 41.98759 93.43618 42.44947 14.03695       59.70691 
1 1 1 13  5   22 o 222.2969 20.41615 1236.403       214.5568 1421.238       251.1495 737.1035       412.7823 237.4109 22.39152 155.8823 49.39049 81.52858       54.22915 
1 1 1 13  5   23 o 145.8150 23.85211 548.5923       160.5353 502.9499       216.8096 603.9863       238.8499 135.1055 33.68414 147.9072 34.42520 -12.80173      48.16343 
1 1 1 13  5   24 o 102.2729 29.57107 281.0619       152.7413 368.2878       201.2598 162.5815       234.5620 115.4753 34.10162 90.98369 36.12898 24.49163       49.68121 
1 1 1 13  5   25 o 140.3004 30.70234 535.4351       200.2053 487.5897       343.8262 559.9794       246.2598 129.0706 45.17604 140.5205 36.37545 -11.44989      58.00041 
1 1 1 13  5   26 o 61.71304 27.55120 -38.94475      165.5782 -137.7616      209.7868 124.3138       269.6501 62.66983 29.11135 90.41888 37.65658 -27.74905      47.59715 
1 1 1 13  5   27 o 248.7243 19.03666 1553.130       224.6489 1573.442       296.3385 1525.686       344.4693 245.7400 25.59823 237.4934 31.08358 8.246582       40.26734 
1 1 1 13  5   28 o 119.5771 42.64488 433.0100       307.5239 676.1963       394.2583 55.17379       491.4315 142.0357 48.43757 101.7533 46.25485 40.28239       66.97544 
1 1 1 13  5   29 o 106.6589 36.52094 330.8163       224.1762 158.4211       252.1320 981.4609       489.8210 89.06550 36.68941 161.4914 53.99131 -72.42587      65.27768 
1 1 1 13  5   30 o 70.79261 32.11187 -42.46053      235.2977 -168.3861      400.0271 24.15598       290.9534 82.57091 38.94242 81.65317 36.48275 0.9177399      53.36201 
1 1 1 13  5   31 o 69.88972 30.10766 46.27756       182.4292 -33.18892      237.2682 161.1845       285.3124 70.93425 32.20377 89.69852 38.12031 -18.76427      49.90231 
1 1 1 13  5   32 o 111.7552 33.54848 392.0239       193.5358 306.9304       254.7696 508.1295       297.5953 98.76751 38.10776 118.9073 41.99588 -20.13980      56.70851 
1 1 1 13  5   33 o 78.45077 36.28573 21.13882       320.7000 435.0205       421.2417 -549.4958      494.6208 104.7707 45.44236 72.97198 36.28846 31.79875       58.15377 
1 1 1 13  5   34 o 106.6670 39.28664 432.7605       263.7780 570.6229       357.6291 268.2824       390.6284 113.3017 44.73135 92.33633 41.67876 20.96540       61.13929 
1 1 1 13  5   35 o 52.34360 25.31736 -174.7521      193.4167 60.74912       363.1082 -268.0424      228.5377 77.41885 36.68813 53.22250 26.12659 24.19634       45.04017 
1 1 1 13  5   36 o 114.7274 34.99236 508.6682       209.3831 605.6149       390.0070 469.4099       248.1828 100.7588 43.71359 103.1719 38.08862 -2.413063      57.97949 
1 1 1 13  6   0  o 241.5435 6.581989 1398.586       75.93742 1486.619       120.3381 1340.336       97.88839 248.5632 10.14780 236.2085 8.682945 12.35477       13.35558 
1 1 1 13  6   1  f 258.0136 11.50677 1604.294       141.5828 0.000000       0.000000 1604.294       141.5828 ?        ?        258.0136 11.50677 0.000000       11.50677 
1 1 1 13  6   2  f 84.18360 13.30210 174.8466       51.76082 0.000000       0.000000 174.8466       51.76082 ?        ?        84.18360 13.30210 0.000000       13.30210 
1 1 1 13  6   3  o 462.3479 7.771228 5123.884       171.7778 0.000000       0.000000 5123.884       171.7778 ?        ?        462.3479 7.771228 0.000000       7.771228 
1 1 1 13  6   4  o 315.1918 9.416368 2386.352       141.7358 0.000000       0.000000 2386.352       141.7358 ?        ?        315.1918 9.416368 0.000000       9.416368 
1 1 1 13  6   5  o 473.4795 16.96828 5434.876       383.4817 0.000000       0.000000 5434.876       383.4817 ?        ?        473.4795 16.96828 0.000000       16.96828 
1 1 1 13  6   6  o 123.5786 10.61452 369.5780       62.10523 0.000000       0.000000 369.5780       62.10523 ?        ?        123.5786 10.61452 0.000000       10.61452 
1 1 1 13  6   7  o 341.9430 8.015015 2803.267       131.0287 0.000000       0.000000 2803.267       131.0287 ?        ?        341.9430 8.015015 0.000000       8.015015 
1 1 1 13  6   8  o 205.5130 9.001702 1015.374       88.23027 0.000000       0.000000 1015.374       88.23027 ?        ?        205.5130 9.001702 0.000000       9.001702 
1 1 1 13  6   9  o 259.9630 8.858091 1623.444       109.9323 0.000000       0.000000 1623.444       109.9323 ?        ?        259.9630 8.858091 0.000000       8.858091 
1 1 1 13  6   10 o 95.80078 10.25157 223.0151       46.22434 185.4788       100.1741 233.1698       52.10305 85.57580 23.68199 97.80711 11.35324 -12.23132      26.26276 
1 1 1 13  6   11 o 440.3180 11.77650 4671.223       247.6857 4671.812       482.4546 4671.012       288.6249 435.4396 23.25941 439.6839 13.74735 -4.244293      27.01832 
1 1 1 13  6   12 o 144.8540 12.41142 509.3968       85.12531 486.8032       105.0649 552.5683       145.2326 140.8868 15.87437 148.9107 20.98086 -8.023819      26.30954 
1 1 1 13  6   13 o 316.5306 13.14382 2422.918       198.4721 2553.702       289.7484 2307.313       272.4167 323.0414 18.84274 307.0860 18.64301 15.95532       26.50680 
1 1 1 13  6   14 o 286.2258 11.30372 1976.648       154.3774 2101.129       187.9076 1718.156       270.7797 294.5758 13.37747 263.5285 21.68382 31.04730       25.47832 
1 1 1 13  6   15 o 204.5107 15.76073 1021.582       152.9113 990.8119       184.5857 1088.884       272.9914 200.2531 19.52796 206.4813 28.40611 -6.228210      34.47097 
1 1 1 13  6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  6   17 o 145.0103 21.03155 528.3006       141.5569 598.7682       156.1255 202.7043       335.5975 154.2935 21.76919 106.5250 42.90434 47.76847       48.11112 
1 1 1 13  6   18 o 117.5490 22.65009 353.3530       122.6750 307.3466       152.8438 436.6481       205.6594 108.1238 28.98034 127.5953 33.34822 -19.47149      44.18103 
1 1 1 13  6   19 o 173.2864 23.32532 759.6415       188.3386 790.2982       240.9707 711.5154       301.9207 173.8195 30.08615 160.1307 39.64911 13.68881       49.77176 
1 1 1 13  6   20 o 370.1075 16.86237 3356.897       297.5860 3379.108       386.8781 3324.714       465.6987 368.1310 22.08333 361.3762 27.15345 6.754761       34.99976 
1 1 1 13  6   21 o 234.3876 20.81867 1371.754       230.8655 1627.253       260.4525 434.9626       498.7190 255.0394 21.56242 132.3122 52.63531 122.7272       56.88070 
1 1 1 13  6   22 o 246.3003 18.99629 1505.604       221.9604 1568.874       310.3944 1439.392       317.5260 247.1571 26.69119 235.3168 28.82521 11.84029       39.28502 
1 1 1 13  6   23 o 232.1046 21.65579 1356.882       237.5334 1114.228       358.3253 1547.101       317.2574 199.2998 39.00353 244.2050 27.66018 -44.90523      47.81591 
1 1 1 13  6   24 o 156.7821 37.82658 697.2621       280.2460 1213.089       358.7696 -110.1064      448.8481 208.6311 37.34008 95.00897 43.57398 113.6221       57.38443 
1 1 1 13  6   25 o 124.3488 40.77157 443.3434       279.7104 525.4446       368.7767 332.1312       429.2051 132.9735 46.76767 118.2827 48.19843 14.69080       67.15879 
1 1 1 13  6   26 f 215.9979 22.59135 1189.592       229.8459 1119.414       273.1281 1359.895       425.4764 205.7873 28.52754 215.2547 42.85120 -9.467422      51.47859 
1 1 1 13  6   27 o 73.96550 31.33188 49.84660       191.6829 86.18399       215.5085 -87.77232      419.3983 80.62224 33.62743 91.82368 42.11575 -11.20145      53.89379 
1 1 1 13  6   28 o 254.2800 25.12729 1691.624       301.4795 1924.015       405.4776 1404.337       450.8326 263.6308 32.88385 211.5598 45.89571 52.07103       56.46028 
1 1 1 13  6   29 o 90.44463 35.08076 196.7397       216.7478 319.8382       243.0320 -281.7990      479.1767 105.7271 37.88710 86.68906 41.38143 19.03803       56.10575 
1 1 1 13  6   30 o 144.9536 37.82856 645.2361       264.8923 606.0916       305.4087 764.1072       532.2103 136.3191 42.38454 139.2435 54.69162 -2.924362      69.19264 
1 1 1 13  6   31 o 184.4344 29.92557 959.3381       254.8359 879.2937       288.4093 1244.349       544.2195 170.1545 36.54448 172.2145 56.89078 -2.060028      67.61700 
1 1 1 13  6   32 o 109.6433 39.47719 400.1511       264.2115 173.0923       452.3363 517.7356       325.5123 96.92358 44.18243 119.5499 43.70659 -22.62631      62.14783 
1 1 1 13  6   33 o 114.6431 35.60352 439.9748       215.5722 361.1301       287.2478 541.6404       326.1801 101.5798 40.09344 117.1889 43.59086 -15.60916      59.22539 
1 1 1 13  6   34 o 68.66696 30.29234 54.82326       194.2995 -111.2058      316.4749 155.2650       246.1526 70.88771 33.78053 80.84196 34.90029 -9.954254      48.57112 
1 1 1 13  6   35 o 55.00187 26.74134 -213.8848      223.1857 83.16141       577.0262 -266.1418      242.0225 85.70406 41.95613 55.33517 27.10650 30.36888       49.95077 
1 1 1 13  6   36 o 68.13112 33.10268 -96.55673      340.4783 371.5175       602.2461 -316.4403      412.7747 87.21979 42.73257 66.35026 33.02103 20.86953       54.00427 
1 1 1 13  7   0  o 148.1759 8.203566 528.1210       57.88824 522.3070       85.62300 533.0159       78.56438 146.7850 12.31456 148.4765 11.14919 -1.691406      16.61183 
1 1 1 13  7   1  o 379.9917 7.949941 3461.742       144.4263 0.000000       0.000000 3461.742       144.4263 ?        ?        379.9917 7.949941 0.000000       7.949941 
1 1 1 13  7   2  o 114.8153 10.80217 319.5399       58.59844 0.000000       0.000000 319.5399       58.59844 ?        ?        114.8153 10.80217 0.000000       10.80217 
1 1 1 13  7   3  o 394.9278 9.672447 3743.927       182.6259 0.000000       0.000000 3743.927       182.6259 ?        ?        394.9278 9.672447 0.000000       9.672447 
1 1 1 13  7   4  o 396.5769 8.032117 3770.293       152.2880 0.000000       0.000000 3770.293       152.2880 ?        ?        396.5769 8.032117 0.000000       8.032117 
1 1 1 13  7   5  o 437.4297 15.97473 4631.710       333.5186 0.000000       0.000000 4631.710       333.5186 ?        ?        437.4297 15.97473 0.000000       15.97473 
1 1 1 13  7   6  o 220.8747 8.712161 1171.946       91.81792 0.000000       0.000000 1171.946       91.81792 ?        ?        220.8747 8.712161 0.000000       8.712161 
1 1 1 13  7   7  o 323.1594 8.225072 2505.644       126.9731 0.000000       0.000000 2505.644       126.9731 ?        ?        323.1594 8.225072 0.000000       8.225072 
1 1 1 13  7   8  o 215.7146 9.161380 1118.649       94.26680 0.000000       0.000000 1118.649       94.26680 ?        ?        215.7146 9.161380 0.000000       9.161380 
1 1 1 13  7   9  o 224.7089 9.169259 1213.845       98.29916 0.000000       0.000000 1213.845       98.29916 ?        ?        224.7089 9.169259 0.000000       9.169259 
1 1 1 13  7   10 o 114.9542 10.50696 320.1981       57.10665 224.8082       115.4855 351.0725       65.70158 93.90105 25.20090 120.2492 11.57108 -26.34812      27.73040 
1 1 1 13  7   11 f 350.5940 9.642288 2954.406       161.4657 3292.857       206.7281 2424.933       258.5669 369.6725 11.71177 315.6761 17.19753 53.99631       20.80674 
1 1 1 13  7   12 f 246.5421 11.04710 1465.375       129.8802 1405.804       161.3361 1575.075       218.9356 240.8312 14.07366 253.8393 18.16050 -13.00812      22.97546 
1 1 1 13  7   13 o 327.2962 13.67048 2592.204       213.4400 3037.274       326.9913 2261.798       281.7381 352.1721 19.49715 303.7564 19.50351 48.41571       27.57763 
1 1 1 13  7   14 o 269.8371 14.05636 1765.774       180.7103 1840.361       220.2517 1612.145       316.1001 274.6433 16.85539 253.2039 26.50458 21.43944       31.41014 
1 1 1 13  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  7   16 o 181.4564 16.53490 807.8696       141.8698 895.5981       181.6006 670.4783       227.2619 189.9385 20.31347 160.1500 30.80019 29.78854       36.89565 
1 1 1 13  7   17 o 228.0292 18.22655 1279.882       197.0495 1373.568       218.3496 868.7515       457.4086 235.7764 19.54613 171.9431 51.56621 63.83325       55.14640 
1 1 1 13  7   18 o 94.18430 28.35970 228.3106       138.1447 264.5346       144.6538 -147.2390      465.7635 100.7117 28.67056 98.01744 44.73948 2.694290       53.13776 
1 1 1 13  7   19 o 160.2882 23.60245 652.2039       175.4613 1165.706       254.1225 184.3652       242.5606 214.3506 25.28355 95.83680 37.12775 118.5138       44.91912 
1 1 1 13  7   20 o 319.5791 16.69659 2502.608       254.2175 2702.074       327.5124 2200.276       403.2142 329.8668 20.87440 292.3131 29.24443 37.55371       35.93017 
1 1 1 13  7   21 o 301.6473 15.68158 2226.433       225.3740 2531.643       298.1524 1819.553       344.2482 319.6780 19.60245 266.3234 27.42850 53.35464       33.71318 
1 1 1 13  7   22 o 291.7303 17.98028 2100.570       249.5577 2223.053       281.8134 1655.516       537.1929 299.1462 19.81639 236.3066 49.15283 62.83968       52.99708 
1 1 1 13  7   23 o 143.2269 30.09670 549.2594       199.5280 580.5254       259.5393 504.0770       311.9981 143.7504 37.40971 132.6213 43.03251 11.12915       57.02002 
1 1 1 13  7   24 o 256.1315 20.24483 1643.715       245.8906 1804.483       329.7932 1442.471       368.9808 264.2779 26.45728 230.1508 34.60385 34.12706       43.55932 
1 1 1 13  7   25 o 77.37955 35.19589 -88.33424      285.0581 -26.34063      360.5943 -191.6246      465.4524 89.98812 40.37996 92.64214 43.14491 -2.654015      59.09335 
1 1 1 13  7   26 o 232.4170 22.49649 1374.920       246.8500 1381.850       285.5325 1354.414       491.1563 230.4464 26.39212 207.5370 50.07986 22.90948       56.60863 
1 1 1 13  7   27 o 149.3121 32.19070 615.3716       223.0191 591.5966       251.0529 704.3487       485.6733 143.7767 36.47261 146.3568 53.40570 -2.580048      64.67163 
1 1 1 13  7   28 o 221.0139 20.48490 1241.790       213.9891 1268.371       294.8450 1212.206       311.0582 217.0777 29.14570 209.8395 32.01847 7.238174       43.29728 
1 1 1 13  7   29 o 103.9997 33.28048 307.7843       187.0402 227.0811       258.8436 395.9692       270.5759 96.40150 38.05645 114.8723 40.08491 -18.47080      55.27290 
1 1 1 13  7   30 o 169.8927 25.38091 775.3666       199.8422 610.4480       271.3532 970.8320       295.4168 139.9173 39.07364 181.8351 35.25481 -41.91779      52.62747 
1 1 1 13  7   31 o 179.7034 24.72257 867.6200       206.7788 1145.833       283.3021 550.4235       302.4997 201.6299 30.32748 128.7081 42.41022 72.92184       52.13812 
1 1 1 13  7   32 o 65.06125 29.62384 -39.72853      202.6071 -5.173377      258.4034 -94.87357      326.4337 74.31022 33.68527 76.41559 35.76635 -2.105370      49.13175 
1 1 1 13  7   33 o 142.7119 37.28617 682.9447       257.1566 517.7744       288.0015 1332.509       571.1362 118.1937 41.34787 156.4565 57.77664 -38.26284      71.04778 
1 1 1 13  7   34 o 80.08943 37.85994 -6.813929      382.1667 339.9533       523.9933 -400.8909      558.5953 98.25285 45.76458 78.68532 39.03312 19.56753       60.14965 
1 1 1 13  7   35 o 62.35402 29.47859 -83.64531      231.7831 111.1615       322.5836 -291.5583      333.2585 79.47961 36.62965 64.19179 31.51908 15.28783       48.32373 
1 1 1 13  7   36 o 98.42690 37.44439 411.8606       243.6601 435.5836       345.1681 388.2967       344.0096 93.99959 40.94870 91.04124 40.22858 2.958344       57.40327 
1 1 1 13  8   0  o 145.6033 8.500958 510.2555       58.91887 531.7906       91.24863 494.8570       77.15989 147.9917 13.02967 142.9919 11.38066 4.999847       17.30005 
1 1 1 13  8   1  o 521.7725 7.953784 6527.157       198.4099 0.000000       0.000000 6527.157       198.4099 ?        ?        521.7725 7.953784 0.000000       7.953784 
1 1 1 13  8   2  o 136.0022 11.58732 448.0302       74.62520 0.000000       0.000000 448.0302       74.62520 ?        ?        136.0022 11.58732 0.000000       11.58732 
1 1 1 13  8   3  o 560.1575 7.973905 7522.220       213.5451 0.000000       0.000000 7522.220       213.5451 ?        ?        560.1575 7.973905 0.000000       7.973905 
1 1 1 13  8   4  o 309.6345 8.322488 2300.575       123.0883 0.000000       0.000000 2300.575       123.0883 ?        ?        309.6345 8.322488 0.000000       8.322488 
1 1 1 13  8   5  o 80.94120 16.28983 163.9938       60.85218 0.000000       0.000000 163.9938       60.85218 ?        ?        80.94120 16.28983 0.000000       16.28983 
1 1 1 13  8   6  o 97.08868 13.58688 231.4959       61.34194 0.000000       0.000000 231.4959       61.34194 ?        ?        97.08868 13.58688 0.000000       13.58688 
1 1 1 13  8   7  o 279.8500 8.527436 1880.051       113.9581 0.000000       0.000000 1880.051       113.9581 ?        ?        279.8500 8.527436 0.000000       8.527436 
1 1 1 13  8   8  o 394.2316 8.270894 3727.040       155.8878 0.000000       0.000000 3727.040       155.8878 ?        ?        394.2316 8.270894 0.000000       8.270894 
1 1 1 13  8   9  o 100.1535 14.51565 247.0558       67.48058 0.000000       0.000000 247.0558       67.48058 ?        ?        100.1535 14.51565 0.000000       14.51565 
1 1 1 13  8   10 o 177.1303 8.144691 754.0355       68.78788 970.5110       131.0404 671.6939       80.81840 200.0963 13.78221 166.8963 10.17711 33.19994       17.13251 
1 1 1 13  8   11 o 345.4523 7.700233 2861.393       127.1746 2985.696       229.8793 2806.571       152.6645 351.4597 13.70722 341.7541 9.352429 9.705627       16.59385 
1 1 1 13  8   12 o 217.1801 14.31962 1144.752       147.8530 1104.180       172.6148 1256.522       286.4998 212.5891 17.12844 223.3265 27.40736 -10.73740      32.31945 
1 1 1 13  8   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  8   14 o 326.2153 14.91247 2583.051       231.9594 2569.917       303.8214 2601.406       359.1593 323.5502 19.73508 323.8500 23.35401 -0.2998047     30.57586 
1 1 1 13  8   15 o 366.1508 15.63478 3260.469       273.0606 3336.950       374.6860 3173.838       398.7705 367.7108 21.40595 357.4555 23.46392 10.25528       31.76114 
1 1 1 13  8   16 o 137.6408 19.32270 472.5771       123.6552 365.5088       153.4076 671.1802       208.9342 118.4326 27.60570 161.3257 28.11045 -42.89313      39.39888 
1 1 1 13  8   17 f 149.8222 19.38608 559.2546       135.6070 643.5076       171.5046 418.7186       221.5017 159.5947 23.15275 124.9022 35.45179 34.69250       42.34240 
1 1 1 13  8   18 o 428.6208 13.58321 4455.930       277.9939 4633.176       332.8384 4047.055       505.5231 435.8588 15.99989 400.3874 26.55914 35.47141       31.00620 
1 1 1 13  8   19 o 245.3099 18.56366 1484.348       216.0984 1282.927       277.3648 1795.470       344.7184 224.4613 26.34752 265.2266 27.58829 -40.76530      38.14847 
1 1 1 13  8   20 o 150.4350 23.97906 577.8847       166.6754 557.5893       176.3643 747.5226       509.8860 146.9029 26.06600 157.8753 55.03080 -10.97238      60.89192 
1 1 1 13  8   21 o 233.8430 16.46411 1343.531       182.8884 1460.713       233.3257 1156.822       294.5199 242.1924 20.33858 210.3507 30.14682 31.84167       36.36604 
1 1 1 13  8   22 o 246.6466 19.72599 1513.364       230.6694 1542.031       279.1276 1451.620       409.6478 246.7396 23.96367 229.5604 38.70031 17.17923       45.51891 
1 1 1 13  8   23 o 169.7372 22.88374 734.3113       180.9738 414.1678       254.2746 1062.959       257.6297 122.0537 38.77567 202.2704 27.34072 -80.21667      47.44542 
1 1 1 13  8   24 o 201.4872 23.14421 1035.276       218.9016 1041.888       276.5706 1024.188       358.1578 198.0222 30.16500 188.7661 40.87258 9.256104       50.79857 
1 1 1 13  8   25 o 87.63071 35.88073 125.2990       239.2715 18.13223       265.3802 590.9547       553.1857 81.81429 35.76777 139.8544 55.50003 -58.04011      66.02716 
1 1 1 13  8   26 o 153.1404 33.52584 649.5268       238.6358 721.5020       332.2223 572.8061       342.9996 155.1422 43.20104 137.8379 45.14659 17.30429       62.48635 
1 1 1 13  8   27 o 163.2286 25.85674 699.7951       195.0636 713.1573       249.3372 678.7152       313.1711 160.1160 33.64301 150.5304 41.95418 9.585617       53.77737 
1 1 1 13  8   28 f 192.4667 23.59956 961.8372       212.6149 782.7750       274.9724 1228.063       335.2837 165.1430 35.85722 208.9016 34.79410 -43.75856      49.96368 
1 1 1 13  8   29 o 154.8884 35.56470 702.4686       257.7899 458.7385       429.3506 839.8659       322.3640 121.5639 48.67783 164.7258 41.07574 -43.16193      63.69260 
1 1 1 13  8   30 o 110.9660 34.71777 364.3830       204.5724 697.5471       265.9919 -118.0389      320.0758 151.8673 36.98426 77.04965 35.84782 74.81766       51.50633 
1 1 1 13  8   31 o 56.52493 27.51841 -323.8382      238.4998 -9.773306      449.4165 -446.9639      281.3932 92.38925 42.81020 58.39533 28.73039 33.99392       51.55724 
1 1 1 13  8   32 o 89.46601 34.17765 220.9366       203.5385 372.3285       284.4124 62.00480       291.4088 107.0343 40.51584 81.88358 36.55359 25.15073       54.56829 
1 1 1 13  8   33 o 67.15323 31.79386 -130.6129      271.4850 172.8642       534.4788 -236.1382      315.1707 96.07069 45.21802 67.41961 32.53771 28.65108       55.70792 
1 1 1 13  8   34 o 150.8018 33.93486 738.5798       238.7292 704.8269       335.8328 773.0584       339.4241 129.5883 44.68832 136.3366 44.92411 -6.748245      63.36578 
1 1 1 13  8   35 o 88.14617 36.06001 266.4166       241.4028 242.9528       327.8129 294.2164       356.8188 87.28113 38.87891 90.67596 40.46558 -3.394829      56.11625 
1 1 1 13  8   36 o 62.04331 30.34550 -201.8760      299.8088 -256.3345      561.0162 -180.1062      354.7069 74.52900 37.30622 66.77274 32.73132 7.756256       49.62956 
1 1 1 13  9   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9   25 o 59.09883 27.25150 -107.4913      178.8930 -144.2995      260.0692 -74.43344      246.4646 70.55458 32.64849 72.75919 32.94852 -2.204613      46.38457 
1 1 1 13  9   26 o 89.64527 35.15567 166.6789       219.6105 -20.54303      277.8098 478.5833       358.5750 80.52195 35.83433 128.0081 46.00224 -47.48612      58.31213 
1 1 1 13  9   27 o 192.5241 22.72953 951.0701       205.1820 961.8093       218.5916 871.5093       594.9725 192.7326 24.25924 156.5156 58.74075 36.21703       63.55302 
1 1 1 13  9   28 o 188.2397 23.71918 922.1823       208.7323 964.0403       222.7351 620.3289       598.1319 191.7582 24.88162 136.4292 56.38561 55.32904       61.63142 
1 1 1 13  9   29 o 150.8155 35.30331 666.1949       250.0245 933.0702       372.9579 448.3597       336.9532 169.3633 45.21437 120.0028 44.36666 49.36057       63.34619 
1 1 1 13  9   30 o 108.2750 35.06778 346.7297       207.2489 505.9859       264.1917 91.92044       334.1785 126.9381 39.41333 90.06281 39.72923 36.87529       55.96268 
1 1 1 13  9   31 o 185.5414 27.07207 944.1749       233.0710 1016.601       302.1268 837.7216       366.2862 184.5750 35.52720 155.0177 46.06273 29.55733       58.17179 
1 1 1 13  9   32 f 94.01861 35.59977 257.2123       219.6194 223.9502       283.9955 306.6968       346.3942 93.07756 38.69482 101.6739 42.53699 -8.596382      57.50378 
1 1 1 13  9   33 o 112.9802 37.30335 438.2084       233.9939 258.0716       330.5098 619.2364       331.3263 93.98276 40.50611 125.0292 44.29768 -31.04648      60.02524 
1 1 1 13  9   34 o 62.49156 29.56023 -111.1495      233.6847 -134.6900      334.1742 -88.62194      326.9059 71.50160 34.24670 72.77285 34.58040 -1.271248      48.66868 
1 1 1 13  9   35 o 73.14980 34.21022 15.12198       297.6477 810.2709       592.1594 -253.6940      344.3039 109.1373 50.05198 66.25353 32.42895 42.88374       59.63923 
1 1 1 13  9   36 o 70.53439 32.46355 74.04502       252.1830 147.4545       365.5112 7.353255       348.3860 78.71995 37.15611 72.52711 34.79852 6.192841       50.90691 
1 1 1 13  10  0  o 385.0541 14.79008 3590.093       271.7642 3662.520       383.3303 3516.903       385.3427 386.5224 20.82073 378.4820 21.38275 8.040375       29.84502 
1 1 1 13  10  1  o 151.5838 9.299233 553.7396       67.06763 667.2009       108.9027 484.4140       85.12588 165.6906 13.87508 141.2093 12.74636 24.48135       18.84111 
1 1 1 13  10  2  o 302.3259 13.13989 2207.789       189.4686 0.000000       0.000000 2207.789       189.4686 ?        ?        302.3259 13.13989 0.000000       13.13989 
1 1 1 13  10  3  o 304.1148 9.239799 2222.128       134.1851 0.000000       0.000000 2222.128       134.1851 ?        ?        304.1148 9.239799 0.000000       9.239799 
1 1 1 13  10  4  o 378.4783 15.17851 3468.018       274.0921 0.000000       0.000000 3468.018       274.0921 ?        ?        378.4783 15.17851 0.000000       15.17851 
1 1 1 13  10  5  o 359.4616 14.14972 3123.502       242.6943 0.000000       0.000000 3123.502       242.6943 ?        ?        359.4616 14.14972 0.000000       14.14972 
1 1 1 13  10  6  o 273.1064 9.264640 1792.471       120.7924 0.000000       0.000000 1792.471       120.7924 ?        ?        273.1064 9.264640 0.000000       9.264640 
1 1 1 13  10  7  o 142.7334 11.85557 493.6844       80.17181 0.000000       0.000000 493.6844       80.17181 ?        ?        142.7334 11.85557 0.000000       11.85557 
1 1 1 13  10  8  o 172.4371 11.49120 718.6205       94.19312 0.000000       0.000000 718.6205       94.19312 ?        ?        172.4371 11.49120 0.000000       11.49120 
1 1 1 13  10  9  o 353.8135 13.59788 3025.383       229.5857 0.000000       0.000000 3025.383       229.5857 ?        ?        353.8135 13.59788 0.000000       13.59788 
1 1 1 13  10  10 o 466.0164 8.675301 5212.218       193.2832 0.000000       0.000000 5212.218       193.2832 ?        ?        466.0164 8.675301 0.000000       8.675301 
1 1 1 13  10  11 o 291.0041 8.870445 2035.019       123.2666 2257.258       260.5538 1970.935       139.9149 304.0620 18.00426 286.1288 10.24461 17.93320       20.71486 
1 1 1 13  10  12 o 129.0924 11.74373 404.7742       71.68696 454.7150       188.9074 396.3725       77.48273 131.9653 30.54632 127.5279 12.88496 4.437424       33.15267 
1 1 1 13  10  13 o 182.9079 15.83584 817.6685       137.1154 925.1671       182.8161 679.4409       207.3055 193.4220 20.06067 162.9230 27.59881 30.49893       34.11927 
1 1 1 13  10  14 o 275.1520 15.25526 1842.049       199.8930 1908.362       244.5490 1708.544       346.9890 278.9629 18.43970 259.4177 28.44327 19.54526       33.89753 
1 1 1 13  10  15 o 197.5561 19.04562 963.7877       177.6575 943.0188       202.2653 1033.903       371.6388 194.3099 22.16915 194.2930 41.28342 0.1689148E-01  46.85928 
1 1 1 13  10  16 o 219.4079 18.22052 1185.059       189.4037 1224.130       213.2011 1038.767       412.5477 222.2613 20.28741 191.6677 45.67273 30.59360       49.97577 
1 1 1 13  10  17 o 244.2035 17.25004 1463.159       200.0998 1543.182       230.1654 1215.473       404.9334 249.9832 19.41042 209.8901 41.82281 40.09308       46.10761 
1 1 1 13  10  18 o 306.9432 15.58605 2299.008       227.9705 2532.975       302.1648 1989.869       347.3313 320.2360 19.83362 280.2984 26.22322 39.93759       32.87901 
1 1 1 13  10  19 o 255.6424 16.88741 1603.676       205.2413 1557.735       281.1538 1656.087       300.3016 248.7439 23.93715 256.0483 24.84355 -7.304474      34.49912 
1 1 1 13  10  20 o 191.4809 17.86819 906.8339       161.6855 931.2347       204.3365 865.9730       264.4228 192.1525 22.67939 180.8787 31.73433 11.27377       39.00541 
1 1 1 13  10  21 o 169.9384 22.47400 731.3306       178.1197 688.4991       196.4108 929.6938       422.6822 163.2940 26.03197 176.4182 48.57807 -13.12411      55.11345 
1 1 1 13  10  22 o 74.49824 32.09052 19.00538       207.2191 -98.59253      270.2870 186.6820       322.7465 75.47363 34.30664 102.1312 41.72800 -26.65760      54.02010 
1 1 1 13  10  23 o 137.5864 37.05614 532.5073       249.1603 641.1243       276.6812 66.55878       573.0594 150.3660 38.36720 113.5460 50.93139 36.81999       63.76558 
1 1 1 13  10  24 o 179.0410 27.61408 842.2557       228.7781 809.5142       291.7660 894.5211       368.6310 169.6789 37.01078 173.1314 44.34435 -3.452515      57.76001 
1 1 1 13  10  25 o 134.3064 37.96242 517.3192       254.5229 578.1574       304.1007 375.0131       465.0944 139.8615 42.06867 122.7236 50.11072 17.13794       65.42826 
1 1 1 13  10  26 o 166.8978 27.18912 735.3371       209.4859 1159.879       298.6886 324.3395       293.8853 207.6706 31.03452 111.0128 41.36054 96.65787       51.70914 
1 1 1 13  10  27 o 249.4626 16.47931 1543.113       195.4399 1704.405       239.4642 1221.338       338.2289 260.4759 19.36796 209.1869 35.05892 51.28900       40.05303 
1 1 1 13  10  28 o 76.21146 29.75549 118.3137       156.7478 195.5376       171.4163 -275.8521      387.2715 87.92668 31.77934 79.07259 37.59226 8.854095       49.22504 
1 1 1 13  10  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  10  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  10  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  10  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  10  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  10  34 o 59.76665 29.19625 -286.5187      275.0487 -357.7185      566.8076 -264.5888      314.5677 79.39286 39.37280 64.72860 31.53269 14.66426       50.44331 
1 1 1 13  10  35 o 86.54939 36.44381 258.1173       256.8160 411.2109       360.9687 101.1917       365.4583 96.54248 41.96810 80.12289 37.61086 16.41959       56.35511 
1 1 1 13  10  36 o 60.87402 29.45359 -132.2819      262.3523 87.96914       371.7554 -350.8039      370.2933 75.92239 36.29847 62.69874 31.21549 13.22365       47.87469 
1 1 1 13  11  0  o 191.6720 10.12934 885.6794       92.49187 878.6767       129.4120 892.9916       132.2404 190.1074 14.34442 191.6135 14.54406 -1.506073      20.42773 
1 1 1 13  11  1  o 194.0095 8.738410 905.3263       80.84396 927.6471       133.0391 892.2587       101.7943 195.3878 14.34200 192.2339 11.12356 3.153900       18.15012 
1 1 1 13  11  2  o 274.4575 9.407677 1811.294       123.2603 0.000000       0.000000 1811.294       123.2603 ?        ?        274.4575 9.407677 0.000000       9.407677 
1 1 1 13  11  3  o 259.1461 11.43738 1619.535       141.3541 0.000000       0.000000 1619.535       141.3541 ?        ?        259.1461 11.43738 0.000000       11.43738 
1 1 1 13  11  4  o 206.6566 9.713671 1028.176       95.70266 0.000000       0.000000 1028.176       95.70266 ?        ?        206.6566 9.713671 0.000000       9.713671 
1 1 1 13  11  5  f 169.8713 10.60831 696.5100       85.72377 0.000000       0.000000 696.5100       85.72377 ?        ?        169.8713 10.60831 0.000000       10.60831 
1 1 1 13  11  6  o 455.5079 17.15195 5043.410       372.8560 0.000000       0.000000 5043.410       372.8560 ?        ?        455.5079 17.15195 0.000000       17.15195 
1 1 1 13  11  7  o 511.8375 8.311449 6285.445       203.3842 0.000000       0.000000 6285.445       203.3842 ?        ?        511.8375 8.311449 0.000000       8.311449 
1 1 1 13  11  8  o 65.19326 13.72934 106.4241       41.43752 0.000000       0.000000 106.4241       41.43752 ?        ?        65.19326 13.72934 0.000000       13.72934 
1 1 1 13  11  9  o 228.1939 11.97295 1258.004       130.1642 0.000000       0.000000 1258.004       130.1642 ?        ?        228.1939 11.97295 0.000000       11.97295 
1 1 1 13  11  10 o 78.86794 18.54492 157.5226       68.74197 0.000000       0.000000 157.5226       68.74197 ?        ?        78.86794 18.54492 0.000000       18.54492 
1 1 1 13  11  11 o 386.1565 9.587318 3583.903       176.9982 0.000000       0.000000 3583.903       176.9982 ?        ?        386.1565 9.587318 0.000000       9.587318 
1 1 1 13  11  12 o 216.1569 8.542334 1123.637       88.10448 1091.170       167.1488 1136.128       103.6765 211.2296 16.68706 217.1146 10.01508 -5.885010      19.46175 
1 1 1 13  11  13 o 309.0565 10.98514 2303.730       162.0544 2245.480       193.4054 2441.000       296.8988 304.4834 13.31829 315.0433 19.81228 -10.55991      23.87265 
1 1 1 13  11  14 o 168.6822 13.19646 692.1282       105.5764 755.1327       132.3176 581.7359       175.1466 175.5658 15.93759 151.0770 25.13161 24.48888       29.75911 
1 1 1 13  11  15 o 254.1244 13.03725 1565.939       157.8653 1599.246       208.9238 1521.617       241.0085 255.4917 17.20450 247.9190 20.51715 7.572723       26.77589 
1 1 1 13  11  16 o 101.6135 20.22768 262.3549       94.81053 294.2932       121.1693 211.9250       152.2580 106.7348 24.29304 92.09634 30.07412 14.63843       38.66011 
1 1 1 13  11  17 o 145.2774 19.23583 526.5568       130.3234 898.8719       201.4608 258.6393       170.8976 189.1154 22.73761 100.2964 31.77994 88.81899       39.07638 
1 1 1 13  11  18 o 85.77873 21.15922 188.8910       86.22658 313.4294       102.1091 -120.6610      160.9828 111.2794 19.92462 55.21825 25.59871 56.06118       32.43893 
1 1 1 13  11  19 o 174.8818 16.49908 753.3594       136.3167 857.4961       176.5088 599.4525       214.5821 185.3537 20.24743 150.3580 30.88519 34.99576       36.93038 
1 1 1 13  11  20 o 157.1143 16.79696 610.5780       124.2144 555.0598       134.2825 939.7153       326.9566 148.9129 19.31633 184.5310 38.31536 -35.61809      42.90907 
1 1 1 13  11  21 o 108.9217 24.43685 309.3564       124.1147 247.5004       155.6411 417.3940       205.6937 97.34879 30.25550 123.7548 33.81248 -26.40599      45.37267 
1 1 1 13  11  22 o 304.1033 14.44808 2259.820       209.4575 2255.758       268.5458 2266.131       334.6941 301.6250 18.71489 299.2066 23.58810 2.418427       30.11056 
1 1 1 13  11  23 f 265.5518 15.16673 1730.745       191.7520 1708.269       248.4083 1763.885       301.6311 261.3114 20.03665 262.8781 24.27413 -1.566681      31.47540 
1 1 1 13  11  24 o 196.8198 16.79469 960.4945       156.5251 1225.877       197.2278 508.9334       257.2707 221.5548 18.79722 133.3070 38.32750 88.24780       42.68879 
1 1 1 13  11  25 o 180.8115 17.77584 815.8826       151.6768 707.1425       186.8530 1025.962       259.7148 165.1949 24.39166 197.0501 28.38618 -31.85521      37.42630 
1 1 1 13  11  26 o 58.81364 27.92268 -211.9895      212.2222 -285.3249      252.9395 -37.60313      390.0463 62.11102 29.76117 91.79024 41.51943 -29.67921      51.08415 
1 1 1 13  11  27 o 112.6530 32.06348 354.6145       180.9350 635.3810       274.6246 139.2599       240.5160 146.8454 38.61222 87.99931 35.99609 58.84613       52.78847 
1 1 1 13  11  28 o 150.2296 22.09048 587.7977       153.9268 625.4690       194.1020 523.9615       252.6725 151.6393 27.79787 131.9427 37.99837 19.69655       47.08076 
1 1 1 13  11  29 o 207.3319 18.07178 1088.658       177.3447 874.1170       230.4206 1400.430       277.7701 179.0018 27.82873 229.0195 25.81850 -50.01768      37.96095 
1 1 1 13  11  30 o 174.7772 31.42331 870.5479       252.9180 1092.518       322.5626 516.2764       407.5067 190.8999 36.67522 122.6141 47.94671 68.28584       60.36521 
1 1 1 13  11  31 o 128.3614 30.06703 477.0148       181.2594 442.6848       201.8635 619.8983       411.8245 120.8920 33.67931 128.2144 48.70269 -7.322365      59.21358 
1 1 1 13  11  32 o 42.35593 21.02579 -333.0777      163.1567 -370.9059      176.9370 -118.2109      421.6918 43.55128 21.66542 81.85453 39.00299 -38.30325      44.61641 
1 1 1 13  11  33 o 159.0791 25.74374 724.5424       189.1062 743.5961       227.7170 682.2043       339.4461 154.6123 31.86654 128.3043 44.88883 26.30801       55.04983 
1 1 1 13  11  34 o 98.52525 33.42746 327.8443       187.7375 230.6363       224.4230 554.4354       342.6398 86.02634 34.92743 112.2839 43.94830 -26.25758      56.13713 
1 1 1 13  11  35 o 60.27841 27.80220 -16.42847      186.3586 -63.50439      218.2707 110.1865       357.9635 61.06052 28.78787 79.08910 37.15638 -18.02858      47.00360 
1 1 1 13  11  36 o 145.1909 42.56667 960.3939       314.5396 1673.976       537.7794 589.3538       387.7864 147.0331 55.69977 98.84678 43.22494 48.18632       70.50433 
1 1 1 13  12  0  o 58.67918 12.85942 86.31316       35.07722 107.8511       45.85690 55.93808       54.45794 65.45402 14.97896 50.99465 17.96885 14.45937       23.39335 
1 1 1 13  12  1  o 238.6485 7.944709 1367.992       90.51891 1281.612       172.1348 1401.009       106.4214 229.3474 15.79526 241.3115 9.241572 -11.96408      18.30019 
1 1 1 13  12  2  o 184.1057 10.39170 817.8612       91.09518 0.000000       0.000000 817.8612       91.09518 ?        ?        184.1057 10.39170 0.000000       10.39170 
1 1 1 13  12  3  o 42.54131 14.79564 39.31287       36.84696 0.000000       0.000000 39.31287       36.84696 ?        ?        42.54131 14.79564 0.000000       14.79564 
1 1 1 13  12  4  o 329.1880 9.370075 2605.435       147.3172 0.000000       0.000000 2605.435       147.3172 ?        ?        329.1880 9.370075 0.000000       9.370075 
1 1 1 13  12  5  o 296.2265 9.272165 2109.913       131.1530 0.000000       0.000000 2109.913       131.1530 ?        ?        296.2265 9.272165 0.000000       9.272165 
1 1 1 13  12  6  o 340.3893 11.43444 2793.448       185.8156 0.000000       0.000000 2793.448       185.8156 ?        ?        340.3893 11.43444 0.000000       11.43444 
1 1 1 13  12  7  o 374.8885 12.16060 3391.703       217.6659 0.000000       0.000000 3391.703       217.6659 ?        ?        374.8885 12.16060 0.000000       12.16060 
1 1 1 13  12  8  o 179.0439 10.77288 774.2391       91.78804 0.000000       0.000000 774.2391       91.78804 ?        ?        179.0439 10.77288 0.000000       10.77288 
1 1 1 13  12  9  o 399.4082 9.512849 3834.078       181.6502 0.000000       0.000000 3834.078       181.6502 ?        ?        399.4082 9.512849 0.000000       9.512849 
1 1 1 13  12  10 o 136.2044 12.07125 450.8419       77.79221 0.000000       0.000000 450.8419       77.79221 ?        ?        136.2044 12.07125 0.000000       12.07125 
1 1 1 13  12  11 o 90.46522 16.07146 204.4871       66.96313 0.000000       0.000000 204.4871       66.96313 ?        ?        90.46522 16.07146 0.000000       16.07146 
1 1 1 13  12  12 o 164.6557 9.287369 653.7746       72.81380 489.8356       121.3447 746.0178       91.02215 140.4555 18.52162 175.6490 10.89270 -35.19353      21.48724 
1 1 1 13  12  13 o 125.5431 10.76613 382.4239       63.99576 212.6370       100.1908 499.4332       83.17367 90.97626 23.02032 143.3115 12.25694 -52.33526      26.08003 
1 1 1 13  12  14 o 59.10962 20.80442 76.68755       72.98611 70.88385       77.15792 126.0451       225.0116 58.58336 21.30020 88.28578 35.27744 -29.70242      41.20917 
1 1 1 13  12  15 o 173.9168 15.53463 741.0471       127.8083 796.6619       149.9270 593.1639       244.4803 179.7498 17.67463 148.4874 35.01233 31.26247       39.22060 
1 1 1 13  12  16 o 216.4652 12.86013 1137.617       132.4890 1170.341       171.6246 1089.353       208.4278 218.4779 16.55418 209.0919 21.14028 9.386047       26.85055 
1 1 1 13  12  17 o 162.8527 14.70702 649.4095       113.2732 769.2339       148.8564 484.5789       174.5879 176.4009 17.89804 136.2794 27.74065 40.12154       33.01338 
1 1 1 13  12  18 o 74.18804 26.43893 123.6568       118.1837 315.6039       188.8078 -0.4945828E-05 151.5438 109.1758 33.21457 63.44836 27.38758 45.72746       43.04982 
1 1 1 13  12  19 o 58.93256 21.50115 72.17346       78.71684 75.59618       91.32345 62.27982       155.2655 61.77508 23.04827 70.85710 28.94538 -9.082020      37.00078 
1 1 1 13  12  20 o 54.40684 22.00146 36.16833       88.64415 31.21939       92.76546 88.18187       300.7379 54.58131 22.34410 92.59689 39.23572 -38.01558      45.15197 
1 1 1 13  12  21 o 97.90773 26.34807 252.5364       126.0288 350.1611       166.2297 120.5598       193.2757 114.1823 30.04880 82.61995 32.79953 31.56236       44.48303 
1 1 1 13  12  22 o 118.6468 21.74354 361.9940       118.7936 424.3658       145.5133 237.3610       205.6957 127.5177 24.76133 97.62094 34.87016 29.89672       42.76741 
1 1 1 13  12  23 o 158.1744 18.11420 625.9625       134.5140 575.4107       168.1580 715.7864       224.1533 148.9181 24.46804 163.6411 29.74671 -14.72298      38.51690 
1 1 1 13  12  24 o 169.2217 17.96002 715.7916       143.0858 807.1569       177.4340 545.8831       241.9657 178.3266 21.22813 138.9249 36.10460 39.40176       41.88288 
1 1 1 13  12  25 o 97.58053 26.79920 254.3007       128.8315 365.6668       156.6110 21.19408       226.5807 116.3580 28.40464 76.70090 33.29731 39.65707       43.76682 
1 1 1 13  12  26 o 90.37126 29.40863 214.8510       145.6581 111.5887       157.1301 845.5657       388.3337 76.02658 29.76010 163.6115 47.10383 -87.58492      55.71745 
1 1 1 13  12  27 o 64.90654 26.39939 61.38384       128.4771 -45.15855      152.8592 317.7598       237.1204 58.17756 26.18280 106.5002 37.49779 -48.32264      45.73427 
1 1 1 13  12  28 f 128.4596 30.65761 466.1082       185.6579 681.1586       276.6359 289.8650       250.4348 149.8833 38.42768 102.4471 38.17849 47.43625       54.16903 
1 1 1 13  12  29 o 134.5992 27.79633 502.2350       172.9443 528.5236       191.0177 382.7029       407.3163 136.6253 30.06142 113.3661 46.65943 23.25912       55.50488 
1 1 1 13  12  30 o 134.1040 28.34256 505.3772       176.0182 557.3500       195.2822 280.2554       406.4280 139.6960 30.12647 104.9596 45.07341 34.73648       54.21454 
1 1 1 13  12  31 o 91.74956 32.85588 243.2835       182.7376 218.1370       275.8690 262.9441       243.9285 92.42661 38.25514 95.43776 37.15997 -3.011147      53.33216 
1 1 1 13  12  32 o 158.8080 20.41604 673.8304       151.4256 581.0419       184.0529 868.2084       266.3907 140.7892 28.32630 165.4814 34.77798 -24.69217      44.85406 
1 1 1 13  12  33 o 73.62540 31.01961 116.0147       186.2274 353.7606       270.9930 -96.72803      256.3475 99.13383 38.99946 65.92879 31.11807 33.20504       49.89280 
1 1 1 13  12  34 o 150.8718 23.32381 647.7977       162.8139 598.7092       199.5606 745.5186       281.5649 136.3351 31.28184 139.3091 40.10971 -2.974045      50.86592 
1 1 1 13  12  35 o 66.69508 30.04771 61.42545       201.9208 -322.2401      300.0989 378.8055       272.9467 58.58727 28.98236 93.89214 38.36925 -35.30487      48.08510 
1 1 1 13  13  0  o 182.9598 7.899205 804.7881       68.93233 730.9792       101.9115 867.0348       93.58941 173.6141 12.35887 189.5345 10.36781 -15.92044      16.13175 
1 1 1 13  13  1  o 117.6146 8.683279 334.0070       48.48197 446.8420       79.25977 266.5489       61.28411 135.5317 12.36833 104.3617 12.53331 31.16999       17.60851 
1 1 1 13  13  2  o 232.2406 11.21685 1302.302       124.1742 0.000000       0.000000 1302.302       124.1742 ?        ?        232.2406 11.21685 0.000000       11.21685 
1 1 1 13  13  3  o 205.0839 10.96207 1015.682       107.0907 0.000000       0.000000 1015.682       107.0907 ?        ?        205.0839 10.96207 0.000000       10.96207 
1 1 1 13  13  4  o 146.4296 10.65918 518.8029       74.10998 0.000000       0.000000 518.8029       74.10998 ?        ?        146.4296 10.65918 0.000000       10.65918 
1 1 1 13  13  5  o 191.0046 11.44967 882.2180       104.0752 0.000000       0.000000 882.2180       104.0752 ?        ?        191.0046 11.44967 0.000000       11.44967 
1 1 1 13  13  6  o 108.9352 12.13334 289.6910       62.12001 0.000000       0.000000 289.6910       62.12001 ?        ?        108.9352 12.13334 0.000000       12.13334 
1 1 1 13  13  7  o 140.6237 10.93362 479.0475       72.93013 0.000000       0.000000 479.0475       72.93013 ?        ?        140.6237 10.93362 0.000000       10.93362 
1 1 1 13  13  8  o 336.7412 9.335049 2727.654       150.1419 0.000000       0.000000 2727.654       150.1419 ?        ?        336.7412 9.335049 0.000000       9.335049 
1 1 1 13  13  9  o 338.3241 9.337438 2753.599       150.8876 0.000000       0.000000 2753.599       150.8876 ?        ?        338.3241 9.337438 0.000000       9.337438 
1 1 1 13  13  10 o 314.3622 9.414238 2378.181       141.3300 0.000000       0.000000 2378.181       141.3300 ?        ?        314.3622 9.414238 0.000000       9.414238 
1 1 1 13  13  11 o 181.3589 10.62508 794.8405       91.72186 0.000000       0.000000 794.8405       91.72186 ?        ?        181.3589 10.62508 0.000000       10.62508 
1 1 1 13  13  12 f 183.2485 11.92682 813.8493       103.9219 0.000000       0.000000 813.8493       103.9219 ?        ?        183.2485 11.92682 0.000000       11.92682 
1 1 1 13  13  13 o 183.9963 9.810618 817.0071       85.98864 721.8826       145.9418 867.5901       106.4231 170.9253 18.13576 189.2257 11.82287 -18.30046      21.64915 
1 1 1 13  13  14 f 30.35725 14.22237 -51.57896      51.82518 -53.38035      115.0935 -51.12082      58.04247 50.10604 22.61954 32.84843 15.27701 17.25762       27.29524 
1 1 1 13  13  15 o 197.0179 12.65439 942.5950       118.5639 973.5286       151.9175 894.3943       189.6357 199.2968 16.08049 189.1946 21.33714 10.10217       26.71808 
1 1 1 13  13  16 o 160.5607 13.15970 628.4819       100.1312 547.4466       124.0700 779.8638       169.5768 148.5399 17.82663 176.7353 20.44606 -28.19537      27.12619 
1 1 1 13  13  17 o 177.6760 14.57261 772.4340       122.7000 797.1240       140.7182 694.1170       250.6207 179.9235 16.54397 160.7516 33.68969 19.17197       37.53263 
1 1 1 13  13  18 o 160.1749 14.91810 629.8065       112.9261 489.9257       147.1933 829.9286       176.0583 138.5047 23.03767 182.0899 20.58426 -43.58519      30.89411 
1 1 1 13  13  19 o 153.9924 15.73970 584.8171       114.2508 673.5378       149.6307 460.7726       176.9281 164.1182 19.44774 131.8564 28.86857 32.26181       34.80818 
1 1 1 13  13  20 f 64.58496 27.39720 22.35552       146.9136 -43.16920      178.8956 158.0808       257.4704 64.38684 28.69835 93.57674 37.61810 -29.18990      47.31508 
1 1 1 13  13  21 o 175.3345 14.76934 755.7653       122.6546 765.6674       149.0620 735.0038       215.8389 175.3177 18.04138 167.2015 27.98954 8.116196       33.30024 
1 1 1 13  13  22 o 153.7742 16.01423 586.1144       116.0100 653.0425       138.1991 426.4274       213.4694 161.5958 18.20461 123.8218 34.68475 37.77405       39.17192 
1 1 1 13  13  23 o 164.7707 15.88726 672.3867       123.6019 690.0587       147.7914 631.2614       225.4556 165.7354 18.99483 152.0328 32.03071 13.70261       37.23936 
1 1 1 13  13  24 o 84.06644 26.37910 182.9242       118.0158 232.9924       142.5128 73.66094       210.5281 93.76856 28.91930 79.21503 33.15276 14.55353       43.99354 
1 1 1 13  13  25 o 180.0610 17.56204 809.9837       149.2637 775.8979       185.6451 872.3105       251.0353 173.6354 22.92275 179.8318 30.27261 -6.196472      37.97214 
1 1 1 13  13  26 o 138.5149 21.83403 496.8794       139.8075 519.0394       170.6858 451.7017       243.7107 139.1919 26.61902 124.1486 37.72915 15.04325       46.17424 
1 1 1 13  13  27 f 69.97623 27.16662 98.52655       130.0747 146.2503       156.1275 -9.764529      235.1844 79.56728 30.04104 73.93110 32.93170 5.636185       44.57534 
1 1 1 13  13  28 o 173.9285 19.75711 776.9194       161.3790 727.5009       200.1772 868.6671       272.7518 163.9770 26.43278 173.1264 34.16673 -9.149429      43.19788 
1 1 1 13  13  29 o 164.3251 31.87633 775.1715       241.3891 966.6985       294.2120 380.7125       422.2273 180.6242 35.33645 112.6829 47.03965 67.94132       58.83361 
1 1 1 13  13  30 o 55.76176 24.88521 -20.60226      134.9547 -188.2031      162.2902 355.0718       242.9740 49.25441 23.66313 106.8436 37.92654 -57.58917      44.70309 
1 1 1 13  13  31 o 37.97567 18.89898 -299.8006      135.1623 -333.5021      164.9776 -230.9991      235.7216 42.69978 21.18724 58.63664 28.25902 -15.93687      35.31956 
1 1 1 13  13  32 o 82.71299 32.70397 192.8862       191.4268 137.2971       300.9643 230.6540       248.0739 83.61246 37.24824 88.41895 36.40491 -4.806488      52.08406 
1 1 1 13  13  33 o 119.2621 31.18992 455.7965       179.8258 662.8281       198.4091 -496.6822      425.5699 147.3062 29.20506 67.62064 33.63275 79.68555       44.54321 
1 1 1 13  13  34 o 86.51807 36.11639 263.7838       248.8938 42.14542       300.6979 746.0300       443.5499 73.74920 34.45602 112.3328 47.62615 -38.58359      58.78323 
1 1 1 13  13  35 o 129.7092 29.21716 557.1478       176.8173 718.0272       191.4165 -378.4688      461.6131 150.0250 27.70792 67.19318 33.66412 82.83183       43.60048 
1 1 1 13  14  0  o 472.0335 7.644362 5346.634       172.5132 5391.495       242.6992 5300.821       245.2621 473.1369 10.72934 469.0731 10.93658 4.063843       15.32082 
1 1 1 13  14  1  o 315.8680 8.416797 2397.600       126.9912 2279.617       162.9781 2579.935       202.6072 307.3913 11.10821 326.4925 13.00599 -19.10114      17.10403 
1 1 1 13  14  2  o 221.8097 11.33852 1188.851       119.8401 0.000000       0.000000 1188.851       119.8401 ?        ?        221.8097 11.33852 0.000000       11.33852 
1 1 1 13  14  3  o 41.11801 14.64319 35.31634       36.24665 0.000000       0.000000 35.31634       36.24665 ?        ?        41.11801 14.64319 0.000000       14.64319 
1 1 1 13  14  4  o 112.9634 12.36334 311.6063       65.68084 0.000000       0.000000 311.6063       65.68084 ?        ?        112.9634 12.36334 0.000000       12.36334 
1 1 1 13  14  5  o 435.5787 11.15251 4574.854       232.0546 0.000000       0.000000 4574.854       232.0546 ?        ?        435.5787 11.15251 0.000000       11.15251 
1 1 1 13  14  6  o 156.3789 12.24277 593.7770       90.80145 0.000000       0.000000 593.7770       90.80145 ?        ?        156.3789 12.24277 0.000000       12.24277 
1 1 1 13  14  7  o 200.3802 11.97422 972.2217       114.1892 0.000000       0.000000 972.2217       114.1892 ?        ?        200.3802 11.97422 0.000000       11.97422 
1 1 1 13  14  8  o 78.90621 15.85282 156.5098       57.72564 0.000000       0.000000 156.5098       57.72564 ?        ?        78.90621 15.85282 0.000000       15.85282 
1 1 1 13  14  9  o 210.3530 9.565597 1066.424       95.94692 0.000000       0.000000 1066.424       95.94692 ?        ?        210.3530 9.565597 0.000000       9.565597 
1 1 1 13  14  10 o 125.2801 11.22874 381.3763       66.54204 0.000000       0.000000 381.3763       66.54204 ?        ?        125.2801 11.22874 0.000000       11.22874 
1 1 1 13  14  11 o 121.2291 12.31927 358.5637       70.40974 0.000000       0.000000 358.5637       70.40974 ?        ?        121.2291 12.31927 0.000000       12.31927 
1 1 1 13  14  12 o 143.3624 11.84038 499.4791       80.43092 0.000000       0.000000 499.4791       80.43092 ?        ?        143.3624 11.84038 0.000000       11.84038 
1 1 1 13  14  13 o 323.9420 9.558671 2527.484       147.8760 0.000000       0.000000 2527.484       147.8760 ?        ?        323.9420 9.558671 0.000000       9.558671 
1 1 1 13  14  14 o 200.6046 8.627570 969.1656       82.55080 892.5953       153.9847 1000.047       97.79092 190.4180 17.09636 203.5078 10.08239 -13.08980      19.84793 
1 1 1 13  14  15 o 182.9910 10.15364 809.3884       88.48175 657.6903       142.2567 905.1050       112.9995 162.6873 18.62522 193.0564 12.30697 -30.36903      22.32398 
1 1 1 13  14  16 o 50.49125 19.63527 41.00645       68.04016 54.25212       78.26146 0.2866490E-03  137.7005 55.35053 21.18113 60.62576 26.13755 -5.275230      33.64241 
1 1 1 13  14  17 o 121.9620 15.73097 368.5802       89.59104 396.6543       108.3879 308.0276       159.1819 125.7622 18.58610 107.7356 29.86767 18.02663       35.17841 
1 1 1 13  14  18 o 177.0444 13.40183 765.4737       112.5945 765.4633       141.9972 765.4913       184.7910 175.8903 17.10175 173.6744 22.80601 2.215866       28.50586 
1 1 1 13  14  19 o 154.2268 22.97400 607.7614       164.2346 712.0584       210.5336 445.6302       262.4938 164.9559 27.67517 126.2169 39.30201 38.73895       48.06831 
1 1 1 13  14  20 o 66.77677 23.87211 99.76096       96.42490 9.442270       122.7792 245.1246       155.7628 58.18446 24.87551 96.54226 30.30717 -38.35780      39.20862 
1 1 1 13  14  21 o 44.92186 20.47090 -53.59152      97.00347 -11.27058      121.5633 -127.7771      160.9477 55.50454 24.23800 54.20063 25.28497 1.303913       35.02585 
1 1 1 13  14  22 o 320.4346 15.06585 2519.500       230.1568 2611.821       305.8739 2399.006       349.4413 323.2046 19.89141 306.6479 24.02734 16.55676       31.19265 
1 1 1 13  14  23 o 85.35184 28.22721 185.8511       133.9642 -99.65112      177.5178 563.5367       204.1749 59.37456 27.29428 144.1106 30.58219 -84.73607      40.99083 
1 1 1 13  14  24 o 222.1770 15.78051 1219.951       166.5300 1187.743       212.1893 1271.603       268.7156 216.6728 20.73654 220.9487 25.93155 -4.275925      33.20316 
1 1 1 13  14  25 o 67.89310 28.26357 52.91800       151.8140 91.25233       215.1041 14.87225       214.2929 80.59780 33.60490 73.73904 32.19125 6.858757       46.53564 
1 1 1 13  14  26 o 55.86309 24.28275 0.7842922E-01  120.8282 -122.5450      142.5421 313.1224       227.7504 49.89545 23.44292 105.1575 36.77058 -55.26207      43.60786 
1 1 1 13  14  27 o 192.6140 20.40677 954.0445       185.0639 952.7175       206.5531 959.4449       416.6890 190.6248 23.13756 166.1780 49.06679 24.44678       54.24847 
1 1 1 13  14  28 o 151.0545 21.46708 597.4688       150.6699 679.5925       182.1533 419.5481       268.1117 159.1055 24.75106 115.8464 39.93003 43.25915       46.97895 
1 1 1 13  14  29 o 104.0191 27.75402 306.6284       140.5758 266.5268       173.7678 382.5814       239.1448 96.11826 32.15845 110.8511 37.72589 -14.73283      49.57227 
1 1 1 13  14  30 o 67.89884 29.50761 41.39564       178.3325 -261.0761      279.0211 250.2833       231.8735 63.51570 30.64401 93.06300 36.23159 -29.54730      47.45296 
1 1 1 13  14  31 o 84.33537 31.91481 205.6586       176.4467 205.6586       176.4467 0.000000       0.000000 84.33537 31.91481 ?        ?        0.000000       31.91481 
1 1 1 13  14  32 o 41.35462 20.32804 -232.4194      139.8422 -394.1429      170.8150 96.27089       243.5191 41.08227 20.56723 76.23458 33.75853 -35.15231      39.53036 
1 1 1 13  14  33 o 112.2832 28.98345 398.4891       156.6426 561.1747       193.6662 90.70957       266.3785 131.5034 31.26480 75.55749 34.23091 55.94595       46.35993 
1 1 1 13  14  34 o 76.00137 29.81536 182.6323       158.0048 128.4630       194.6328 287.3336       270.5923 71.51422 30.95379 86.10161 36.87265 -14.58739      48.14281 
1 1 1 13  15  0  o 50.80762 12.54182 64.83598       30.27828 100.6023       43.08708 29.94310       42.55774 63.17344 14.56421 41.32594 15.66584 21.84750       21.39006 
1 1 1 13  15  1  o 144.5627 8.524121 503.7951       58.65192 466.8542       87.00268 534.5691       79.40913 138.2854 13.32454 148.4736 11.27119 -10.18825      17.45231 
1 1 1 13  15  2  o 94.86878 12.53966 221.1157       55.48309 0.000000       0.000000 221.1157       55.48309 ?        ?        94.86878 12.53966 0.000000       12.53966 
1 1 1 13  15  3  o 174.2999 10.01694 733.5895       83.12040 0.000000       0.000000 733.5895       83.12040 ?        ?        174.2999 10.01694 0.000000       10.01694 
1 1 1 13  15  4  o 257.0627 9.058909 1590.452       111.1589 0.000000       0.000000 1590.452       111.1589 ?        ?        257.0627 9.058909 0.000000       9.058909 
1 1 1 13  15  5  o 302.4107 8.743615 2199.389       126.2817 0.000000       0.000000 2199.389       126.2817 ?        ?        302.4107 8.743615 0.000000       8.743615 
1 1 1 13  15  6  o 129.6033 10.89878 407.5938       66.90581 0.000000       0.000000 407.5938       66.90581 ?        ?        129.6033 10.89878 0.000000       10.89878 
1 1 1 13  15  7  o 93.01345 12.46024 212.6347       54.01650 0.000000       0.000000 212.6347       54.01650 ?        ?        93.01345 12.46024 0.000000       12.46024 
1 1 1 13  15  8  o 288.4059 12.97786 2015.840       178.4850 0.000000       0.000000 2015.840       178.4850 ?        ?        288.4059 12.97786 0.000000       12.97786 
1 1 1 13  15  9  o 61.95370 18.92865 94.61769       61.23366 0.000000       0.000000 94.61769       61.23366 ?        ?        61.95370 18.92865 0.000000       18.92865 
1 1 1 13  15  10 o 47.07201 18.03112 37.73326       56.75229 0.000000       0.000000 37.73326       56.75229 ?        ?        47.07201 18.03112 0.000000       18.03112 
1 1 1 13  15  11 o 180.9541 12.01049 794.5503       103.3173 0.000000       0.000000 794.5503       103.3173 ?        ?        180.9541 12.01049 0.000000       12.01049 
1 1 1 13  15  12 o 235.3713 12.10280 1342.567       135.7335 0.000000       0.000000 1342.567       135.7335 ?        ?        235.3713 12.10280 0.000000       12.10280 
1 1 1 13  15  13 o 195.4709 10.11110 923.0943       94.16947 0.000000       0.000000 923.0943       94.16947 ?        ?        195.4709 10.11110 0.000000       10.11110 
1 1 1 13  15  14 o 179.4241 9.972528 778.0595       85.20839 833.5227       138.2820 744.1101       108.1880 184.2351 15.85349 174.7720 13.04192 9.463120       20.52864 
1 1 1 13  15  15 o 132.7306 11.89342 429.4240       74.67290 195.4590       141.8312 519.1485       87.83183 88.31051 29.03695 145.8482 12.72353 -57.53768      31.70225 
1 1 1 13  15  16 o 37.35125 14.68784 20.01545       38.42346 -86.31587      78.14520 53.91890       44.12591 36.25002 17.13130 48.31029 16.20590 -12.06027      23.58204 
1 1 1 13  15  17 o 91.41586 18.92024 213.3727       79.96378 164.3592       93.93860 342.3315       152.3742 79.98192 23.20976 113.4640 28.20971 -33.48209      36.53054 
1 1 1 13  15  18 o 163.5012 18.06055 666.3215       138.8257 540.7023       162.9562 998.7781       265.1004 144.6279 24.43705 194.8199 29.37453 -50.19196      38.21037 
1 1 1 13  15  19 o 113.7608 17.54277 325.5935       92.34759 371.4079       110.2013 217.5507       169.2324 120.9200 19.74315 92.73125 31.73195 28.18874       37.37257 
1 1 1 13  15  20 o 57.14279 23.16397 41.31742       98.53029 149.5812       124.9934 -136.3708      160.1308 78.68429 27.25703 53.44679 25.02697 25.23750       37.00399 
1 1 1 13  15  21 o 122.3847 24.65820 392.5901       139.2849 229.7341       222.2831 497.8719       178.7234 97.38394 36.02946 136.5380 28.30915 -39.15402      45.82063 
1 1 1 13  15  22 o 112.6453 27.05247 339.5664       143.8526 469.1261       226.8164 252.3837       186.0608 128.9580 35.61489 98.11680 33.27797 30.84119       48.74262 
1 1 1 13  15  23 o 90.41750 23.33669 215.5783       101.5596 282.2043       116.3729 2.708925       208.0111 103.3071 24.01862 72.27108 31.62942 31.03603       39.71542 
1 1 1 13  15  24 o 86.52468 24.13348 198.8500       103.5842 138.0136       118.5336 395.4316       213.0745 75.38776 26.51456 117.4567 35.18772 -42.06897      44.05902 
1 1 1 13  15  25 o 231.4455 15.35057 1330.007       168.8965 1426.352       209.4335 1150.802       285.6310 237.6994 18.57679 204.9294 30.04570 32.76999       35.32480 
1 1 1 13  15  26 o 120.6395 31.44859 416.5151       183.2098 346.9398       207.0138 667.9286       393.5192 108.9722 35.02642 138.9841 48.35132 -30.01186      59.70511 
1 1 1 13  15  27 o 277.1200 16.88523 1931.402       222.6471 1952.258       297.5832 1904.882       335.5692 272.9481 23.01882 265.5704 26.79588 7.377686       35.32542 
1 1 1 13  15  28 o 76.60616 28.39385 144.5504       138.1640 251.4063       167.1766 -85.70827      245.4055 93.96827 31.54405 68.92995 31.83232 25.03832       44.81432 
1 1 1 13  15  29 o 185.0058 21.57721 908.9498       187.2699 1072.892       210.9169 298.3371       407.0507 200.3862 22.39850 102.3906 44.53783 97.99558       49.85290 
1 1 1 13  15  30 o 62.85508 26.34107 60.13961       133.1741 167.0520       159.5635 -185.3093      241.7687 78.91055 30.23236 60.99444 29.19142 17.91611       42.02540 
1 1 1 13  15  31 o 60.55256 27.83657 -39.12737      184.6592 -299.5417      282.4908 155.1718       244.0099 60.51529 29.56771 81.10603 34.87859 -20.59073      45.72488 
1 1 1 13  15  32 o 83.70454 30.09994 218.6458       153.5436 256.9049       185.4383 135.2191       273.8319 88.42585 32.87215 79.53338 35.47393 8.892471       48.36298 
1 1 1 13  15  33 o 80.96451 35.19734 210.2484       253.9103 488.8393       304.5961 -424.2237      459.6711 102.4854 41.01318 68.05178 34.01989 34.43357       53.28634 
1 1 1 13  15  34 o 85.22259 31.97521 269.3254       176.2703 386.9818       190.0597 -454.3706      471.3682 99.86159 33.63446 65.75693 33.09019 34.10466       47.18303 
1 1 1 13  16  0  o 276.3559 8.294812 1836.858       109.4692 1674.051       145.5466 2048.916       166.1087 263.0374 11.60236 290.9429 11.96753 -27.90555      16.66842 
1 1 1 13  16  1  f 208.1338 8.762600 1043.334       86.99841 957.1514       144.1904 1092.668       109.0929 197.7851 15.36931 212.6063 10.76784 -14.82124      18.76598 
1 1 1 13  16  2  o 235.7205 9.520895 1339.363       107.0752 0.000000       0.000000 1339.363       107.0752 ?        ?        235.7205 9.520895 0.000000       9.520895 
1 1 1 13  16  3  f 261.3724 9.530608 1646.163       118.8943 0.000000       0.000000 1646.163       118.8943 ?        ?        261.3724 9.530608 0.000000       9.530608 
1 1 1 13  16  4  o 208.5415 11.80694 1053.499       117.2359 0.000000       0.000000 1053.499       117.2359 ?        ?        208.5415 11.80694 0.000000       11.80694 
1 1 1 13  16  5  o 121.2891 12.38882 359.1878       70.83111 0.000000       0.000000 359.1878       70.83111 ?        ?        121.2891 12.38882 0.000000       12.38882 
1 1 1 13  16  6  o 96.41961 14.18380 230.1127       63.43112 0.000000       0.000000 230.1127       63.43112 ?        ?        96.41961 14.18380 0.000000       14.18380 
1 1 1 13  16  7  o 128.8737 11.72671 404.2888       71.46133 0.000000       0.000000 404.2888       71.46133 ?        ?        128.8737 11.72671 0.000000       11.72671 
1 1 1 13  16  8  o 199.9555 12.45748 970.5551       118.4975 0.000000       0.000000 970.5551       118.4975 ?        ?        199.9555 12.45748 0.000000       12.45748 
1 1 1 13  16  9  o 123.1498 11.35939 369.1277       66.12685 0.000000       0.000000 369.1277       66.12685 ?        ?        123.1498 11.35939 0.000000       11.35939 
1 1 1 13  16  10 o 205.8340 9.852152 1022.775       96.67049 0.000000       0.000000 1022.775       96.67049 ?        ?        205.8340 9.852152 0.000000       9.852152 
1 1 1 13  16  11 o 72.09740 15.54534 131.3572       52.00454 0.000000       0.000000 131.3572       52.00454 ?        ?        72.09740 15.54534 0.000000       15.54534 
1 1 1 13  16  12 o 97.47186 16.84701 238.6216       75.66850 0.000000       0.000000 238.6216       75.66850 ?        ?        97.47186 16.84701 0.000000       16.84701 
1 1 1 13  16  13 o 285.0637 13.57085 1977.424       184.4202 0.000000       0.000000 1977.424       184.4202 ?        ?        285.0637 13.57085 0.000000       13.57085 
1 1 1 13  16  14 o 327.3480 14.49213 2614.068       226.2415 0.000000       0.000000 2614.068       226.2415 ?        ?        327.3480 14.49213 0.000000       14.49213 
1 1 1 13  16  15 o 247.9506 10.43345 1486.934       123.4042 1279.072       205.0630 1604.950       154.5146 226.8158 19.08757 256.9377 12.61721 -30.12198      22.88076 
1 1 1 13  16  16 o 117.7177 12.74084 340.0996       70.56329 101.8412       145.7051 413.1009       80.65221 74.06644 28.75312 129.7544 13.18414 -55.68794      31.63169 
1 1 1 13  16  17 o 144.2198 10.40648 505.0390       71.27003 628.9119       122.3200 441.3724       87.69308 159.3642 16.28316 133.9336 13.89692 25.43057       21.40714 
1 1 1 13  16  18 o 110.8259 19.52280 312.8864       99.66337 264.5779       107.4549 610.2267       266.5887 100.7341 22.84034 146.7862 37.77028 -46.05204      44.13926 
1 1 1 13  16  19 o 70.76479 25.58697 111.9061       111.1363 157.7737       152.9004 60.53112       161.8196 82.54439 29.98859 71.11802 29.35420 11.42637       41.96409 
1 1 1 13  16  20 o 216.3298 14.84230 1150.039       152.5760 1139.189       178.1610 1179.889       295.5052 214.1499 17.55545 210.6170 30.21078 3.532959       34.94117 
1 1 1 13  16  21 o 107.4302 22.41637 300.8959       111.4046 242.5380       141.6595 395.4935       180.3582 95.36429 28.71892 120.0100 31.16235 -24.64571      42.37769 
1 1 1 13  16  22 o 232.7643 16.29009 1343.166       180.1349 1384.631       219.0121 1256.459       316.7030 234.4269 19.72402 214.8689 31.78771 19.55806       37.40983 
1 1 1 13  16  23 o 135.6448 20.11320 472.5360       126.4892 280.8585       160.8410 783.2407       204.7789 100.7880 30.65476 171.9779 25.69256 -71.18985      39.99777 
1 1 1 13  16  24 o 290.8677 16.82554 2113.516       232.9782 2170.821       289.5481 2008.287       392.3639 291.4195 20.92153 270.2788 30.92053 21.14069       37.33349 
1 1 1 13  16  25 o 136.7441 21.75583 489.8630       137.4705 605.3147       167.7538 253.8167       239.8672 150.9149 24.05755 97.64628 37.15077 53.26858       44.25998 
1 1 1 13  16  26 o 86.18450 27.48417 202.6407       127.6475 237.4533       158.1580 137.5916       216.1940 92.37476 30.67466 83.28181 34.10404 9.092949       45.86960 
1 1 1 13  16  27 o 181.0421 20.96546 856.1227       178.1145 819.0308       197.8809 1014.454       408.8350 174.5388 24.37804 167.7852 48.33915 6.753571       54.13836 
1 1 1 13  16  28 o 180.8325 23.73249 886.9205       200.2294 778.5873       286.1269 990.8843       280.2973 154.2634 38.82978 181.3010 33.57395 -27.03761      51.33187 
1 1 1 13  16  29 o 82.24957 32.41316 182.4261       187.4760 358.9156       273.2309 25.41632       257.7115 102.3079 39.46681 74.36369 33.68182 27.94425       51.88540 
1 1 1 13  16  30 o 79.88161 30.41336 181.7284       160.8254 188.3285       174.5578 144.6627       413.6667 81.19505 31.48501 88.47955 41.02410 -7.284500      51.71347 
1 1 1 13  16  31 o 82.99387 29.46156 212.0678       146.6182 255.6668       178.6434 122.0914       256.6332 88.64986 32.38341 77.94657 34.57882 10.70329       47.37489 
1 1 1 13  16  32 o 61.73319 28.38990 -3.760847      192.3221 92.61777       292.8000 -76.89450      255.0583 75.26212 34.76154 63.98419 30.44426 11.27793       46.20841 
1 1 1 13  16  33 o 49.50209 23.37749 -74.50528      145.0406 -110.5859      168.3882 29.21739       285.5035 50.90632 24.36294 69.26262 32.73635 -18.35630      40.80713 
1 1 1 13  17  0  o 63.31807 11.77539 99.95058       34.33440 41.51935       48.45897 158.8530       48.65395 45.83231 16.84597 79.94134 13.18989 -34.10903      21.39532 
1 1 1 13  17  1  o 252.2402 9.761786 1535.046       117.4982 0.000000       0.000000 1535.046       117.4982 ?        ?        252.2402 9.761786 0.000000       9.761786 
1 1 1 13  17  2  o 378.7069 9.704545 3456.939       175.5613 0.000000       0.000000 3456.939       175.5613 ?        ?        378.7069 9.704545 0.000000       9.704545 
1 1 1 13  17  3  f 264.6662 12.58362 1699.759       158.7694 0.000000       0.000000 1699.759       158.7694 ?        ?        264.6662 12.58362 0.000000       12.58362 
1 1 1 13  17  4  o 235.2681 9.706156 1335.542       108.9394 0.000000       0.000000 1335.542       108.9394 ?        ?        235.2681 9.706156 0.000000       9.706156 
1 1 1 13  17  5  o 103.1529 15.62592 264.9054       74.65068 0.000000       0.000000 264.9054       74.65068 ?        ?        103.1529 15.62592 0.000000       15.62592 
1 1 1 13  17  6  o 220.1543 12.09706 1175.978       126.8362 0.000000       0.000000 1175.978       126.8362 ?        ?        220.1543 12.09706 0.000000       12.09706 
1 1 1 13  17  7  o 213.3135 10.16413 1099.482       103.3584 0.000000       0.000000 1099.482       103.3584 ?        ?        213.3135 10.16413 0.000000       10.16413 
1 1 1 13  17  8  o 217.6444 18.21166 1171.338       187.7625 0.000000       0.000000 1171.338       187.7625 ?        ?        217.6444 18.21166 0.000000       18.21166 
1 1 1 13  17  9  o 191.8657 18.45589 913.1613       167.2077 0.000000       0.000000 913.1613       167.2077 ?        ?        191.8657 18.45589 0.000000       18.45589 
1 1 1 13  17  10 o 242.1119 9.899728 1415.505       114.3486 0.000000       0.000000 1415.505       114.3486 ?        ?        242.1119 9.899728 0.000000       9.899728 
1 1 1 13  17  11 o 137.6578 21.68481 481.7328       137.9967 0.000000       0.000000 481.7328       137.9967 ?        ?        137.6578 21.68481 0.000000       21.68481 
1 1 1 13  17  12 o 80.29226 18.17571 164.6958       68.14021 0.000000       0.000000 164.6958       68.14021 ?        ?        80.29226 18.17571 0.000000       18.17571 
1 1 1 13  17  13 f 176.5032 13.23633 760.8848       110.8801 0.000000       0.000000 760.8848       110.8801 ?        ?        176.5032 13.23633 0.000000       13.23633 
1 1 1 13  17  14 o 260.8655 9.936113 1644.379       123.6935 0.000000       0.000000 1644.379       123.6935 ?        ?        260.8655 9.936113 0.000000       9.936113 
1 1 1 13  17  15 o 185.3029 12.58968 837.1751       110.8712 0.000000       0.000000 837.1751       110.8712 ?        ?        185.3029 12.58968 0.000000       12.58968 
1 1 1 13  17  16 o 75.03962 16.59933 143.4247       57.97073 69.13843       91.15112 193.8796       75.12065 60.33515 22.91413 87.02402 18.61850 -26.68887      29.52466 
1 1 1 13  17  17 o 159.0559 10.72163 614.4698       81.05390 756.9761       164.4417 568.7361       93.15642 173.3729 20.21814 152.4484 12.90255 20.92453       23.98434 
1 1 1 13  17  18 o 221.7274 11.32427 1194.099       119.6458 1025.251       193.7253 1298.219       152.1266 201.8425 20.35313 230.3177 13.88000 -28.47523      24.63543 
1 1 1 13  17  19 o 69.58215 22.33074 120.7924       84.16528 142.5705       98.19170 60.47855       163.4080 75.16657 24.11951 71.13416 29.44240 4.032417       38.06056 
1 1 1 13  17  20 o 94.00739 22.92197 232.8030       102.0774 215.1102       108.9888 359.1805       291.2853 90.09930 24.61078 113.9875 41.39447 -23.88819      48.15799 
1 1 1 13  17  21 o 250.5665 13.88321 1543.691       165.6609 1504.851       214.2346 1601.454       261.2627 244.8159 18.43934 250.0475 22.08147 -5.231537      28.76805 
1 1 1 13  17  22 o 155.1819 24.64782 636.6211       176.7566 749.6902       214.4560 397.0974       312.1336 166.5188 27.92581 116.0180 42.73525 50.50079       51.05049 
1 1 1 13  17  23 o 70.28617 27.30930 99.88261       131.5276 76.19092       185.3560 123.9107       186.6673 74.51059 31.14035 79.76006 32.04221 -5.249474      44.68137 
1 1 1 13  17  24 o 83.29069 28.95256 181.7462       141.0843 166.0511       196.3738 198.4901       202.8293 84.98354 33.26855 89.23302 34.11082 -4.249481      47.64813 
1 1 1 13  17  25 o 100.3572 29.20474 285.3207       148.5447 41.72431       205.6328 551.1598       214.8159 73.13049 31.73423 137.0687 33.14756 -63.93822      45.88924 
1 1 1 13  17  26 o 111.6245 23.42171 338.8730       121.0001 386.2612       143.4886 222.2263       225.1223 117.7195 26.17285 91.47153 35.67507 26.24798       44.24622 
1 1 1 13  17  27 o 230.6071 18.51177 1376.765       202.3804 1172.664       231.1491 2047.025       418.8815 207.8053 23.68883 258.8164 34.72813 -51.01112      42.03812 
1 1 1 13  17  28 o 51.92722 23.77553 -47.12994      132.8813 -33.51936      156.6844 -81.99757      250.7834 57.32355 26.08142 67.12573 31.39580 -9.802177      40.81588 
1 1 1 13  17  29 o 159.8984 21.71674 700.5126       161.7280 784.5959       197.4475 529.0898       281.9232 165.2126 25.84404 117.3565 40.91909 47.85611       48.39717 
1 1 1 13  17  30 o 56.04977 26.58153 -115.0879      191.3051 -256.2882      278.1807 11.60986       263.5078 60.66460 29.57508 71.33046 32.95671 -10.66586      44.28127 
1 1 1 13  17  31 o 41.48626 20.52154 -258.6448      150.3810 -255.1693      159.9339 -285.1580      441.7366 43.34648 21.39004 70.39955 34.88572 -27.05307      40.92123 
1 1 1 13  17  32 o 47.53551 22.70233 -104.9146      144.5901 -191.7606      172.2772 102.0384       265.9431 47.47219 23.17218 72.12224 33.24603 -24.65005      40.52466 
1 1 1 13  18  0  o 316.5547 7.925529 2409.710       119.8516 2363.504       166.0981 2459.901       173.1107 312.6004 11.13168 318.8374 11.37477 -6.237030      15.91539 
1 1 1 13  18  1  o 178.9815 10.83652 776.1057       92.29256 0.000000       0.000000 776.1057       92.29256 ?        ?        178.9815 10.83652 0.000000       10.83652 
1 1 1 13  18  2  f 265.2043 12.42336 1706.766       157.0794 0.000000       0.000000 1706.766       157.0794 ?        ?        265.2043 12.42336 0.000000       12.42336 
1 1 1 13  18  3  o 281.8177 9.406519 1914.897       126.5600 0.000000       0.000000 1914.897       126.5600 ?        ?        281.8177 9.406519 0.000000       9.406519 
1 1 1 13  18  4  f 178.3924 11.50394 772.4544       97.59103 0.000000       0.000000 772.4544       97.59103 ?        ?        178.3924 11.50394 0.000000       11.50394 
1 1 1 13  18  5  f 192.4682 11.84808 899.5529       108.4939 0.000000       0.000000 899.5529       108.4939 ?        ?        192.4682 11.84808 0.000000       11.84808 
1 1 1 13  18  6  o 177.9812 10.62613 767.3516       90.00689 0.000000       0.000000 767.3516       90.00689 ?        ?        177.9812 10.62613 0.000000       10.62613 
1 1 1 13  18  7  o 172.4978 12.31116 724.3347       100.8618 0.000000       0.000000 724.3347       100.8618 ?        ?        172.4978 12.31116 0.000000       12.31116 
1 1 1 13  18  8  o 125.6545 12.92313 386.9090       76.52879 0.000000       0.000000 386.9090       76.52879 ?        ?        125.6545 12.92313 0.000000       12.92313 
1 1 1 13  18  9  o 67.23978 15.61358 114.7414       49.22713 0.000000       0.000000 114.7414       49.22713 ?        ?        67.23978 15.61358 0.000000       15.61358 
1 1 1 13  18  10 o 176.6433 10.80143 756.6006       90.78316 0.000000       0.000000 756.6006       90.78316 ?        ?        176.6433 10.80143 0.000000       10.80143 
1 1 1 13  18  11 o 127.3538 12.39275 396.7870       74.50182 0.000000       0.000000 396.7870       74.50182 ?        ?        127.3538 12.39275 0.000000       12.39275 
1 1 1 13  18  12 o 97.81300 17.57876 241.9111       79.18251 0.000000       0.000000 241.9111       79.18251 ?        ?        97.81300 17.57876 0.000000       17.57876 
1 1 1 13  18  13 o 380.0764 15.73784 3541.155       285.3540 0.000000       0.000000 3541.155       285.3540 ?        ?        380.0764 15.73784 0.000000       15.73784 
1 1 1 13  18  14 o 112.0589 14.32470 310.9086       74.99080 0.000000       0.000000 310.9086       74.99080 ?        ?        112.0589 14.32470 0.000000       14.32470 
1 1 1 13  18  15 o 91.57305 17.49459 213.0330       73.79958 0.000000       0.000000 213.0330       73.79958 ?        ?        91.57305 17.49459 0.000000       17.49459 
1 1 1 13  18  16 o 77.52364 15.72124 152.4406       56.27195 0.000000       0.000000 152.4406       56.27195 ?        ?        77.52364 15.72124 0.000000       15.72124 
1 1 1 13  18  17 o 74.79409 15.00763 141.7236       51.79676 -36.10069      96.27013 214.1736       61.44905 46.45618 20.85370 92.56680 14.34932 -46.11062      25.31362 
1 1 1 13  18  18 o 69.14240 20.59545 122.4234       73.15538 -98.82895      159.0133 181.8248       82.39252 55.48452 25.62336 83.45109 20.74135 -27.96656      32.96605 
1 1 1 13  18  19 o 37.93983 17.29446 -39.17025      69.30250 -280.0795      159.8331 16.60777       76.90801 45.03383 22.05359 47.92118 20.04554 -2.887344      29.80242 
1 1 1 13  18  20 o 154.7067 15.40765 596.4198       112.4469 517.9188       135.1098 773.3408       202.8331 141.8599 20.51648 170.7863 25.63186 -28.92636      32.83166 
1 1 1 13  18  21 o 188.6307 15.95288 888.4452       142.5189 1119.806       186.4902 563.6149       220.9733 210.2748 18.74710 139.9565 33.47583 70.31834       38.36776 
1 1 1 13  18  22 o 113.3538 25.22239 348.8177       133.1642 324.8815       146.8970 459.1792       315.4231 107.9797 28.16580 120.6859 43.17241 -12.70619      51.54774 
1 1 1 13  18  23 o 130.8803 20.72076 447.0965       125.3421 425.9666       158.4336 482.4474       204.9265 123.9784 27.45446 128.3806 33.15705 -4.402161      43.04808 
1 1 1 13  18  24 o 62.77072 24.74118 74.58107       109.2473 106.8672       115.7274 -189.7351      331.1236 68.67771 25.87831 74.15664 35.11057 -5.478928      43.61696 
1 1 1 13  18  25 o 74.69704 25.22127 148.8670       106.8692 105.8539       123.8107 274.5697       211.6555 68.79411 26.55956 96.18936 35.23106 -27.39525      44.12071 
1 1 1 13  18  26 o 34.09596 16.84836 -202.7122      100.4277 -230.9921      113.8667 -103.6736      213.0888 36.06835 17.84435 61.69925 28.88448 -25.63089      33.95194 
1 1 1 13  18  27 o 68.03635 29.94618 44.26830       188.8789 109.4959       216.8351 -160.8950      384.5596 76.32658 32.85183 75.73622 36.39606 0.5903549      49.02974 
1 1 1 13  18  28 o 130.6135 30.05871 527.1351       183.8028 950.2807       252.1771 47.58394       268.4591 175.2761 31.23932 75.02325 34.13648 100.2529       46.27304 
1 1 1 13  18  29 o 98.79120 28.76975 309.3291       144.1063 204.4876       169.7677 579.6401       272.5966 81.32948 31.17778 120.1616 40.27938 -38.83212      50.93606 
1 1 1 13  18  30 o 82.86250 29.48502 226.5010       146.9314 93.67789       173.1314 568.4542       277.7937 67.41290 29.18629 113.3443 40.51896 -45.93135      49.93622 
1 1 1 13  18  31 f 95.48564 37.70937 407.5408       254.2319 666.6613       300.8736 -239.3221      475.3783 115.7825 42.06677 70.37742 35.09124 45.40511       54.78146 
1 1 1 13  19  0  o 238.3685 8.752549 1370.756       99.57578 1423.832       180.3367 1347.476       119.4335 240.5172 15.77001 235.8249 10.62047 4.692291       19.01283 
1 1 1 13  19  1  o 149.1440 11.44326 541.6757       80.97183 0.000000       0.000000 541.6757       80.97183 ?        ?        149.1440 11.44326 0.000000       11.44326 
1 1 1 13  19  2  o 40.05627 18.12967 -37.56430      74.50392 0.000000       0.000000 -37.56430      74.50392 ?        ?        40.05627 18.12967 0.000000       18.12967 
1 1 1 13  19  3  o 112.4097 12.79605 310.4939       67.54546 0.000000       0.000000 310.4939       67.54546 ?        ?        112.4097 12.79605 0.000000       12.79605 
1 1 1 13  19  4  o 206.8630 10.89855 1037.110       107.4052 0.000000       0.000000 1037.110       107.4052 ?        ?        206.8630 10.89855 0.000000       10.89855 
1 1 1 13  19  5  o 293.1162 13.49244 2092.997       188.5698 0.000000       0.000000 2092.997       188.5698 ?        ?        293.1162 13.49244 0.000000       13.49244 
1 1 1 13  19  6  o 221.4364 10.15148 1185.886       107.1840 0.000000       0.000000 1185.886       107.1840 ?        ?        221.4364 10.15148 0.000000       10.15148 
1 1 1 13  19  7  o 134.2087 11.80327 439.4627       74.96333 0.000000       0.000000 439.4627       74.96333 ?        ?        134.2087 11.80327 0.000000       11.80327 
1 1 1 13  19  8  o 65.68082 19.22023 108.9799       64.18053 0.000000       0.000000 108.9799       64.18053 ?        ?        65.68082 19.22023 0.000000       19.22023 
1 1 1 13  19  9  o 58.59718 16.63796 86.52773       48.77789 0.000000       0.000000 86.52773       48.77789 ?        ?        58.59718 16.63796 0.000000       16.63796 
1 1 1 13  19  10 o 251.6615 9.996306 1531.376       120.0328 0.000000       0.000000 1531.376       120.0328 ?        ?        251.6615 9.996306 0.000000       9.996306 
1 1 1 13  19  11 o 206.5848 12.88498 1041.367       126.6260 0.000000       0.000000 1041.367       126.6260 ?        ?        206.5848 12.88498 0.000000       12.88498 
1 1 1 13  19  12 o 197.3284 11.05056 945.7080       103.8350 0.000000       0.000000 945.7080       103.8350 ?        ?        197.3284 11.05056 0.000000       11.05056 
1 1 1 13  19  13 o 292.0186 9.539214 2061.151       132.9990 0.000000       0.000000 2061.151       132.9990 ?        ?        292.0186 9.539214 0.000000       9.539214 
1 1 1 13  19  14 o 191.6828 12.39908 897.6597       113.0172 0.000000       0.000000 897.6597       113.0172 ?        ?        191.6828 12.39908 0.000000       12.39908 
1 1 1 13  19  15 o 61.06542 20.96486 87.99001       73.88640 0.000000       0.000000 87.99001       73.88640 ?        ?        61.06542 20.96486 0.000000       20.96486 
1 1 1 13  19  16 o 130.4926 14.27394 422.3516       87.59994 0.000000       0.000000 422.3516       87.59994 ?        ?        130.4926 14.27394 0.000000       14.27394 
1 1 1 13  19  17 o 176.6042 13.38228 767.6533       112.1489 0.000000       0.000000 767.6533       112.1489 ?        ?        176.6042 13.38228 0.000000       13.38228 
1 1 1 13  19  18 o 96.46751 15.24668 234.8015       67.98380 244.6550       171.3961 232.9619       74.05875 94.97176 31.94013 95.56618 16.82345 -0.5944214     36.09987 
1 1 1 13  19  19 o 122.6412 13.77565 374.0051       79.37646 728.1357       184.9578 294.0573       87.88081 166.2393 23.96295 107.1681 17.77468 59.07117       29.83559 
1 1 1 13  19  20 o 170.2092 12.13880 711.9008       98.13123 770.0683       203.6265 694.3052       111.9943 169.3988 25.96979 167.2788 14.13602 2.120071       29.56783 
1 1 1 13  19  21 o 56.69516 26.98049 -191.0057      200.4877 -465.2271      263.0468 189.0999       309.6951 55.55447 27.41761 95.26835 40.06214 -39.71388      48.54586 
1 1 1 13  19  22 o 54.59179 24.83040 -51.89453      141.8690 -69.21434      222.5481 -40.03798      184.1329 66.92867 30.69064 63.13122 28.54445 3.797455       41.91301 
1 1 1 13  19  23 o 94.46075 30.04831 259.0469       152.6537 317.5946       232.9740 214.9984       202.0775 101.7292 37.00871 88.96837 34.03816 12.76084       50.28162 
1 1 1 13  19  24 o 105.0111 27.36541 320.1266       138.7541 258.2178       152.3236 621.8943       336.3005 93.30222 30.05072 128.0821 44.68931 -34.77991      53.85332 
1 1 1 13  19  25 o 119.1070 23.99440 398.3222       131.9045 305.8208       162.5617 576.6007       225.6803 99.44449 30.92310 133.1452 34.99934 -33.70071      46.70323 
1 1 1 13  19  26 o 50.82567 22.40895 -0.3406998     106.1859 -22.69279      121.5507 71.68552       218.1945 51.61371 23.27777 72.96245 32.14762 -21.34874      39.69035 
1 1 1 13  19  27 o 74.39083 26.83554 157.3171       122.1592 214.8716       128.6026 -374.2526      390.8319 84.21133 27.64761 67.88171 33.48611 16.32963       43.42476 
1 1 1 13  19  28 o 52.45535 23.08216 13.62838       112.1476 46.56570       126.7191 -105.3884      240.8807 58.38188 25.12095 61.82250 29.46358 -3.440617      38.71905 
1 1 1 13  19  29 f 129.2386 29.92952 553.1288       181.2838 670.8940       233.8701 375.8518       286.9409 133.6627 35.85819 92.52894 38.71322 41.13375       52.76859 
1 1 1 13  20  0  o 192.6546 14.33906 913.3465       131.1243 0.000000       0.000000 913.3465       131.1243 ?        ?        192.6546 14.33906 0.000000       14.33906 
1 1 1 13  20  1  o 100.2579 14.11865 250.3070       65.80195 0.000000       0.000000 250.3070       65.80195 ?        ?        100.2579 14.11865 0.000000       14.11865 
1 1 1 13  20  2  o 75.42570 17.00237 145.7432       59.84011 0.000000       0.000000 145.7432       59.84011 ?        ?        75.42570 17.00237 0.000000       17.00237 
1 1 1 13  20  3  o 93.65985 19.78041 226.4942       85.79018 0.000000       0.000000 226.4942       85.79018 ?        ?        93.65985 19.78041 0.000000       19.78041 
1 1 1 13  20  4  o 75.35834 20.13258 146.9668       73.91158 0.000000       0.000000 146.9668       73.91158 ?        ?        75.35834 20.13258 0.000000       20.13258 
1 1 1 13  20  5  o 388.6797 10.80474 3662.210       200.5824 0.000000       0.000000 3662.210       200.5824 ?        ?        388.6797 10.80474 0.000000       10.80474 
1 1 1 13  20  6  o 221.9037 12.60162 1202.219       133.1406 0.000000       0.000000 1202.219       133.1406 ?        ?        221.9037 12.60162 0.000000       12.60162 
1 1 1 13  20  7  o 232.8977 10.22086 1314.758       113.5277 0.000000       0.000000 1314.758       113.5277 ?        ?        232.8977 10.22086 0.000000       10.22086 
1 1 1 13  20  8  o 266.3321 12.38493 1729.687       157.2659 0.000000       0.000000 1729.687       157.2659 ?        ?        266.3321 12.38493 0.000000       12.38493 
1 1 1 13  20  9  o 156.6017 11.59004 598.7206       86.15904 0.000000       0.000000 598.7206       86.15904 ?        ?        156.6017 11.59004 0.000000       11.59004 
1 1 1 13  20  10 o 417.8478 10.04644 4224.906       200.6959 0.000000       0.000000 4224.906       200.6959 ?        ?        417.8478 10.04644 0.000000       10.04644 
1 1 1 13  20  11 o 52.27812 17.47385 64.70661       51.30629 0.000000       0.000000 64.70661       51.30629 ?        ?        52.27812 17.47385 0.000000       17.47385 
1 1 1 13  20  12 o 241.6055 13.23281 1430.635       152.2671 0.000000       0.000000 1430.635       152.2671 ?        ?        241.6055 13.23281 0.000000       13.23281 
1 1 1 13  20  13 o 113.0368 21.64588 333.2976       112.7194 0.000000       0.000000 333.2976       112.7194 ?        ?        113.0368 21.64588 0.000000       21.64588 
1 1 1 13  20  14 f 236.1875 14.57994 1377.076       163.8320 0.000000       0.000000 1377.076       163.8320 ?        ?        236.1875 14.57994 0.000000       14.57994 
1 1 1 13  20  15 o 190.2314 13.93043 893.2327       125.8153 0.000000       0.000000 893.2327       125.8153 ?        ?        190.2314 13.93043 0.000000       13.93043 
1 1 1 13  20  16 o 73.42428 23.95531 138.0813       96.61521 0.000000       0.000000 138.0813       96.61521 ?        ?        73.42428 23.95531 0.000000       23.95531 
1 1 1 13  20  17 o 224.9562 12.26416 1240.800       131.4009 0.000000       0.000000 1240.800       131.4009 ?        ?        224.9562 12.26416 0.000000       12.26416 
1 1 1 13  20  18 o 187.1824 14.96342 872.5487       132.7931 0.000000       0.000000 872.5487       132.7931 ?        ?        187.1824 14.96342 0.000000       14.96342 
1 1 1 13  20  19 o 145.1622 11.92825 519.3143       82.05286 942.3301       190.0961 422.4554       90.96300 190.3432 21.25165 129.7012 14.94215 60.64195       25.97885 
1 1 1 13  20  20 f 249.9653 12.31380 1540.318       146.7038 2043.288       268.7520 1326.832       175.0914 281.1118 20.13022 229.5226 16.05755 51.58916       25.75016 
1 1 1 13  20  21 o 78.55460 18.38277 163.7054       67.80772 242.0400       183.5759 151.3293       72.96789 91.53678 32.91277 75.08276 19.97862 16.45402       38.50189 
1 1 1 13  20  22 o 112.6015 14.61363 322.6472       76.81637 458.2646       193.6363 297.3184       83.68285 121.7279 32.61586 106.9495 16.92925 14.77842       36.74770 
1 1 1 13  20  23 o 71.67931 27.46441 127.8226       131.6911 171.2773       143.2070 -110.2346      335.1864 78.78501 28.95924 74.43707 35.26751 4.347946       45.63370 
1 1 1 13  20  24 o 108.5605 24.69560 337.7138       125.2738 288.5091       155.1714 429.8102       212.2901 96.51611 30.24252 112.9719 35.36972 -16.45582      46.53630 
1 1 1 13  20  25 o 151.0623 19.65106 614.5622       138.5616 601.7793       171.9469 638.2369       234.0037 143.8051 25.96517 137.2838 35.41855 6.521301       43.91655 
1 1 1 13  20  26 o 71.75044 31.55684 95.20847       209.3733 64.65485       249.8644 167.2375       383.6425 72.55926 32.98316 84.40557 39.26215 -11.84631      51.27772 
1 1 1 13  20  27 o 45.54800 22.33971 -225.7614      165.9520 73.79282       231.4686 -542.6002      238.0530 70.22325 31.85199 46.11248 23.24440 24.11077       39.43160 
1 1 1 13  21  0  o 220.5346 13.09653 1194.748       137.4615 0.000000       0.000000 1194.748       137.4615 ?        ?        220.5346 13.09653 0.000000       13.09653 
1 1 1 13  21  1  o 157.1192 15.54922 614.8380       115.2707 0.000000       0.000000 614.8380       115.2707 ?        ?        157.1192 15.54922 0.000000       15.54922 
1 1 1 13  21  2  o 113.7820 16.00508 325.5184       84.66103 0.000000       0.000000 325.5184       84.66103 ?        ?        113.7820 16.00508 0.000000       16.00508 
1 1 1 13  21  3  o 43.76768 16.75817 33.84856       49.00792 0.000000       0.000000 33.84856       49.00792 ?        ?        43.76768 16.75817 0.000000       16.75817 
1 1 1 13  21  4  o 114.0598 17.96574 330.7780       94.73095 0.000000       0.000000 330.7780       94.73095 ?        ?        114.0598 17.96574 0.000000       17.96574 
1 1 1 13  21  5  o 292.2730 13.51931 2094.622       188.3968 0.000000       0.000000 2094.622       188.3968 ?        ?        292.2730 13.51931 0.000000       13.51931 
1 1 1 13  21  6  o 255.8311 13.61299 1606.540       165.9009 0.000000       0.000000 1606.540       165.9009 ?        ?        255.8311 13.61299 0.000000       13.61299 
1 1 1 13  21  7  o 181.0462 13.22767 805.5387       113.7036 0.000000       0.000000 805.5387       113.7036 ?        ?        181.0462 13.22767 0.000000       13.22767 
1 1 1 13  21  8  o 64.07808 18.14217 105.3392       58.08037 0.000000       0.000000 105.3392       58.08037 ?        ?        64.07808 18.14217 0.000000       18.14217 
1 1 1 13  21  9  o 108.4841 14.51120 293.9788       73.37644 0.000000       0.000000 293.9788       73.37644 ?        ?        108.4841 14.51120 0.000000       14.51120 
1 1 1 13  21  10 o 299.1393 10.34747 2173.185       147.7615 0.000000       0.000000 2173.185       147.7615 ?        ?        299.1393 10.34747 0.000000       10.34747 
1 1 1 13  21  11 o 35.86343 15.35562 0.3160880      46.91363 0.000000       0.000000 0.3160880      46.91363 ?        ?        35.86343 15.35562 0.000000       15.35562 
1 1 1 13  21  12 f 99.79259 14.62863 250.1251       67.72113 0.000000       0.000000 250.1251       67.72113 ?        ?        99.79259 14.62863 0.000000       14.62863 
1 1 1 13  21  13 o 222.9193 12.91245 1221.580       137.0257 0.000000       0.000000 1221.580       137.0257 ?        ?        222.9193 12.91245 0.000000       12.91245 
1 1 1 13  21  14 o 126.1843 19.09687 409.8780       111.6077 0.000000       0.000000 409.8780       111.6077 ?        ?        126.1843 19.09687 0.000000       19.09687 
1 1 1 13  21  15 f 62.03935 19.75258 97.63421       65.95313 0.000000       0.000000 97.63421       65.95313 ?        ?        62.03935 19.75258 0.000000       19.75258 
1 1 1 13  21  16 o 200.1956 14.38103 998.3403       136.7256 0.000000       0.000000 998.3403       136.7256 ?        ?        200.1956 14.38103 0.000000       14.38103 
1 1 1 13  21  17 o 69.37545 20.70412 127.3818       73.87490 0.000000       0.000000 127.3818       73.87490 ?        ?        69.37545 20.70412 0.000000       20.70412 
1 1 1 13  21  18 o 46.35772 20.94267 -33.70543      98.87166 0.000000       0.000000 -33.70543      98.87166 ?        ?        46.35772 20.94267 0.000000       20.94267 
1 1 1 13  21  19 o 161.0339 17.35522 668.1795       131.5078 0.000000       0.000000 668.1795       131.5078 ?        ?        161.0339 17.35522 0.000000       17.35522 
1 1 1 13  21  20 o 104.3624 22.05000 299.0790       106.5658 0.000000       0.000000 299.0790       106.5658 ?        ?        104.3624 22.05000 0.000000       22.05000 
1 1 1 13  21  21 o 66.30645 23.57807 113.4897       93.94225 282.3729       314.9466 96.99663       98.42259 95.59338 40.31094 63.68210 23.89309 31.91127       46.85991 
1 1 1 13  21  22 o 64.32989 24.28490 100.4730       102.0211 419.1689       320.0690 64.43182       107.6354 105.1807 42.05880 59.38900 24.16038 45.79169       48.50430 
1 1 1 13  21  23 o 57.54303 23.03247 66.52718       96.08309 -360.3105      322.6891 108.0520       100.6483 62.31798 30.68102 64.95533 24.20395 -2.637352      39.07885 
1 1 1 13  21  24 o 67.47612 29.11787 83.21435       171.2016 162.5116       287.3478 39.57454       213.1671 80.79807 36.16711 67.81736 30.68312 12.98071       47.42904 
1 1 1 13  21  25 o 86.72601 29.44094 249.2537       145.6309 297.6055       158.6180 -10.26937      367.4804 93.32951 30.70829 74.32425 35.68137 19.00526       47.07610 
1 1 1 13  22  0  o 68.24049 25.14166 109.3835       108.0423 0.000000       0.000000 109.3835       108.0423 ?        ?        68.24049 25.14166 0.000000       25.14166 
1 1 1 13  22  1  o 47.81813 20.09387 17.49169       77.82165 0.000000       0.000000 17.49169       77.82165 ?        ?        47.81813 20.09387 0.000000       20.09387 
1 1 1 13  22  2  o 168.7381 12.33120 702.5128       98.79119 0.000000       0.000000 702.5128       98.79119 ?        ?        168.7381 12.33120 0.000000       12.33120 
1 1 1 13  22  3  o 98.81583 19.96488 257.1418       91.06968 0.000000       0.000000 257.1418       91.06968 ?        ?        98.81583 19.96488 0.000000       19.96488 
1 1 1 13  22  4  o 47.65710 17.31702 48.84189       50.98813 0.000000       0.000000 48.84189       50.98813 ?        ?        47.65710 17.31702 0.000000       17.31702 
1 1 1 13  22  5  o 72.95734 21.24249 140.6999       78.57019 0.000000       0.000000 140.6999       78.57019 ?        ?        72.95734 21.24249 0.000000       21.24249 
1 1 1 13  22  6  o 249.0379 12.55382 1526.365       148.9865 0.000000       0.000000 1526.365       148.9865 ?        ?        249.0379 12.55382 0.000000       12.55382 
1 1 1 13  22  7  o 103.6523 20.25428 282.7145       96.76990 0.000000       0.000000 282.7145       96.76990 ?        ?        103.6523 20.25428 0.000000       20.25428 
1 1 1 13  22  8  o 99.24888 14.87532 249.2803       68.41115 0.000000       0.000000 249.2803       68.41115 ?        ?        99.24888 14.87532 0.000000       14.87532 
1 1 1 13  22  9  o 70.07385 19.06415 129.1867       65.55151 0.000000       0.000000 129.1867       65.55151 ?        ?        70.07385 19.06415 0.000000       19.06415 
1 1 1 13  22  10 o 82.46909 37.79221 -28.09539      336.7164 0.000000       0.000000 -28.09539      336.7164 ?        ?        82.46909 37.79221 0.000000       37.79221 
1 1 1 13  22  11 o 63.68450 18.05984 105.8669       57.50741 0.000000       0.000000 105.8669       57.50741 ?        ?        63.68450 18.05984 0.000000       18.05984 
1 1 1 13  22  12 o 101.3896 15.40425 262.0000       72.32328 0.000000       0.000000 262.0000       72.32328 ?        ?        101.3896 15.40425 0.000000       15.40425 
1 1 1 13  22  13 o 111.0262 17.41034 318.7506       89.37844 0.000000       0.000000 318.7506       89.37844 ?        ?        111.0262 17.41034 0.000000       17.41034 
1 1 1 13  22  14 o 142.5750 16.51669 519.5283       110.5033 0.000000       0.000000 519.5283       110.5033 ?        ?        142.5750 16.51669 0.000000       16.51669 
1 1 1 13  22  15 o 54.05272 22.31118 38.80639       93.48779 0.000000       0.000000 38.80639       93.48779 ?        ?        54.05272 22.31118 0.000000       22.31118 
1 1 1 13  22  16 o 199.6412 13.39271 995.9902       127.0888 0.000000       0.000000 995.9902       127.0888 ?        ?        199.6412 13.39271 0.000000       13.39271 
1 1 1 13  22  17 o 126.1611 15.37487 406.8962       90.82236 0.000000       0.000000 406.8962       90.82236 ?        ?        126.1611 15.37487 0.000000       15.37487 
1 1 1 13  22  18 f 168.2996 14.20061 715.7949       113.1960 0.000000       0.000000 715.7949       113.1960 ?        ?        168.2996 14.20061 0.000000       14.20061 
1 1 1 13  22  19 o 186.2301 14.48494 880.4728       127.9524 0.000000       0.000000 880.4728       127.9524 ?        ?        186.2301 14.48494 0.000000       14.48494 
1 1 1 13  22  20 o 67.39586 22.11382 124.7206       82.27890 0.000000       0.000000 124.7206       82.27890 ?        ?        67.39586 22.11382 0.000000       22.11382 
1 1 1 13  22  21 o 85.90548 20.49055 206.9828       82.97216 0.000000       0.000000 206.9828       82.97216 ?        ?        85.90548 20.49055 0.000000       20.49055 
1 1 1 13  22  22 o 85.73186 18.09718 201.4800       71.84280 211.1874       194.6930 199.9499       77.29794 81.42852 32.71987 84.56357 19.51560 -3.135048      38.09789 
1 1 1 13  22  23 o 36.82460 16.58687 -17.31172      61.49310 -386.1649      201.7386 20.46981       64.56570 45.34375 22.64799 43.37499 18.26916 1.968761       29.09800 
1 1 1 13  23  0  o 31.67066 15.48700 -135.7487      77.97045 0.000000       0.000000 -135.7487      77.97045 ?        ?        31.67066 15.48700 0.000000       15.48700 
1 1 1 13  23  1  o 80.92532 22.21915 180.0222       88.57258 0.000000       0.000000 180.0222       88.57258 ?        ?        80.92532 22.21915 0.000000       22.21915 
1 1 1 13  23  2  o 47.76654 20.82048 -0.3031640     89.34479 0.000000       0.000000 -0.3031640     89.34479 ?        ?        47.76654 20.82048 0.000000       20.82048 
1 1 1 13  23  3  o 81.79297 16.59226 174.5909       62.66148 0.000000       0.000000 174.5909       62.66148 ?        ?        81.79297 16.59226 0.000000       16.59226 
1 1 1 13  23  4  o 87.33444 15.91725 197.1440       64.01236 0.000000       0.000000 197.1440       64.01236 ?        ?        87.33444 15.91725 0.000000       15.91725 
1 1 1 13  23  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  23  6  o 124.4590 21.53813 414.6826       123.5194 0.000000       0.000000 414.6826       123.5194 ?        ?        124.4590 21.53813 0.000000       21.53813 
1 1 1 13  23  7  o 93.11929 20.09223 232.1250       86.82041 0.000000       0.000000 232.1250       86.82041 ?        ?        93.11929 20.09223 0.000000       20.09223 
1 1 1 13  23  8  o 35.20874 16.57450 -68.18137      71.86165 0.000000       0.000000 -68.18137      71.86165 ?        ?        35.20874 16.57450 0.000000       16.57450 
1 1 1 13  23  9  o 162.6720 31.61264 783.1492       236.9967 0.000000       0.000000 783.1492       236.9967 ?        ?        162.6720 31.61264 0.000000       31.61264 
1 1 1 13  23  10 o 120.3778 14.51386 367.0967       81.84538 0.000000       0.000000 367.0967       81.84538 ?        ?        120.3778 14.51386 0.000000       14.51386 
1 1 1 13  23  11 o 62.73197 18.41148 103.8572       58.81828 0.000000       0.000000 103.8572       58.81828 ?        ?        62.73197 18.41148 0.000000       18.41148 
1 1 1 13  23  12 o 39.12810 16.19098 15.03950       49.39936 0.000000       0.000000 15.03950       49.39936 ?        ?        39.12810 16.19098 0.000000       16.19098 
1 1 1 13  23  13 o 93.67746 16.63565 229.3939       71.77546 0.000000       0.000000 229.3939       71.77546 ?        ?        93.67746 16.63565 0.000000       16.63565 
1 1 1 13  23  14 o 93.34782 20.42379 237.7756       88.60858 0.000000       0.000000 237.7756       88.60858 ?        ?        93.34782 20.42379 0.000000       20.42379 
1 1 1 13  23  15 o 70.26636 23.44275 135.4658       92.35127 0.000000       0.000000 135.4658       92.35127 ?        ?        70.26636 23.44275 0.000000       23.44275 
1 1 1 13  23  16 o 64.28944 24.05259 103.5434       99.59371 0.000000       0.000000 103.5434       99.59371 ?        ?        64.28944 24.05259 0.000000       24.05259 
1 1 1 13  23  17 o 112.3362 23.22158 360.1466       120.5919 0.000000       0.000000 360.1466       120.5919 ?        ?        112.3362 23.22158 0.000000       23.22158 
1 1 1 13  23  18 o 176.0532 14.37273 795.6434       119.9220 0.000000       0.000000 795.6434       119.9220 ?        ?        176.0532 14.37273 0.000000       14.37273 
1 1 1 13  23  19 o 54.60772 20.82196 69.51748       75.45356 0.000000       0.000000 69.51748       75.45356 ?        ?        54.60772 20.82196 0.000000       20.82196 
1 1 1 13  24  4  o 93.21514 19.93551 237.4117       86.15353 0.000000       0.000000 237.4117       86.15353 ?        ?        93.21514 19.93551 0.000000       19.93551 
1 1 1 13  24  5  o 70.46207 22.35971 137.3003       84.57124 0.000000       0.000000 137.3003       84.57124 ?        ?        70.46207 22.35971 0.000000       22.35971 
1 1 1 13  24  6  o 154.1731 15.03405 608.8914       109.4074 0.000000       0.000000 608.8914       109.4074 ?        ?        154.1731 15.03405 0.000000       15.03405 
1 1 1 13  24  7  o 94.31698 20.69799 245.5053       90.76342 0.000000       0.000000 245.5053       90.76342 ?        ?        94.31698 20.69799 0.000000       20.69799 
1 1 1 13  24  8  o 109.0142 22.22034 332.1612       111.8758 0.000000       0.000000 332.1612       111.8758 ?        ?        109.0142 22.22034 0.000000       22.22034 
1 1 1 13  24  9  o 81.69062 35.64660 153.3356       262.5121 0.000000       0.000000 153.3356       262.5121 ?        ?        81.69062 35.64660 0.000000       35.64660 
1 1 1 13  24  10 o 62.51794 20.14038 105.2132       68.41885 0.000000       0.000000 105.2132       68.41885 ?        ?        62.51794 20.14038 0.000000       20.14038 
1 1 1 13  24  11 o 114.5091 15.25103 340.1479       81.41843 0.000000       0.000000 340.1479       81.41843 ?        ?        114.5091 15.25103 0.000000       15.25103 
1 1 1 13  24  12 o 148.2460 13.82551 560.6548       96.85806 0.000000       0.000000 560.6548       96.85806 ?        ?        148.2460 13.82551 0.000000       13.82551 
1 1 1 13  24  13 o 123.5938 15.08304 396.2464       87.27985 0.000000       0.000000 396.2464       87.27985 ?        ?        123.5938 15.08304 0.000000       15.08304 
1 1 1 14  -10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -9  12 o 53.74894 21.56590 62.33013       84.44803 62.33013       84.44803 0.000000       0.000000 53.74894 21.56590 ?        ?        0.000000       21.56590 
1 1 1 14  -8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -8  12 o 75.32903 16.40054 151.6771       57.38603 151.6771       57.38603 0.000000       0.000000 75.32903 16.40054 ?        ?        0.000000       16.40054 
1 1 1 14  -8  13 o 69.01914 18.16792 130.7314       60.75690 130.7314       60.75690 0.000000       0.000000 69.01914 18.16792 ?        ?        0.000000       18.16792 
1 1 1 14  -8  14 o 151.4392 8.422291 563.5378       60.73834 429.1927       84.21387 709.1867       87.68523 129.1006 13.86098 168.4044 10.95030 -39.30385      17.66454 
1 1 1 14  -8  15 o 30.30078 13.33788 -5.627877      37.47562 160.5392       164.7465 -14.69532      38.48452 74.23457 30.00319 29.09118 13.11105 45.14339       32.74280 
1 1 1 14  -8  16 o 37.41292 17.30408 -39.65554      72.92570 -94.62211      189.4813 -30.09789      79.01192 55.26156 26.27868 40.09409 18.34852 15.16748       32.05054 
1 1 1 14  -7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -7  12 o 65.16287 22.62732 110.3782       86.16186 110.3782       86.16186 0.000000       0.000000 65.16287 22.62732 ?        ?        0.000000       22.62732 
1 1 1 14  -7  13 o 83.35799 10.25574 173.0915       40.01114 119.6115       58.83600 219.1021       54.57277 66.71321 18.02397 93.05522 12.58930 -26.34201      21.98531 
1 1 1 14  -7  14 o 58.45904 15.55101 90.21687       44.21729 111.4709       151.7616 88.24522       46.22274 70.61356 28.70265 57.78207 16.12309 12.83149       32.92105 
1 1 1 14  -7  15 o 57.41524 18.19879 86.71851       56.03801 267.4120       187.2528 68.94392       58.72957 91.34838 33.18689 53.02338 18.66225 38.32500       38.07426 
1 1 1 14  -7  16 o 65.29612 15.68717 113.3983       48.35773 34.52504       177.4318 119.7271       50.26040 64.90276 28.77433 67.03704 15.92026 -2.134277      32.88491 
1 1 1 14  -7  17 o 132.9849 14.01796 453.7920       87.78500 275.3326       210.4189 491.3979       96.59244 89.85569 34.64211 137.8427 14.89341 -47.98701      37.70795 
1 1 1 14  -7  18 o 53.65522 21.02024 62.67758       78.44485 -109.9182      226.4382 86.21635       83.62313 59.91070 28.55642 58.64983 22.01968 1.260872       36.06017 
1 1 1 14  -7  19 o 71.81921 35.09617 -121.9492      398.4510 -121.9492      398.4510 0.000000       0.000000 71.81921 35.09617 ?        ?        0.000000       35.09617 
1 1 1 14  -6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -6  13 o 118.8924 9.232179 345.6199       52.06576 569.9161       117.6653 291.0110       58.05899 149.4876 16.75179 108.3926 11.37287 41.09505       20.24758 
1 1 1 14  -6  14 o 143.6589 9.946889 506.1273       67.89508 459.6642       126.1837 525.0605       80.54910 131.5281 20.75414 145.6540 11.66467 -14.12592      23.80754 
1 1 1 14  -6  15 o 54.84935 17.58981 76.64064       52.22831 165.3473       165.3771 66.81301       55.04547 79.80508 30.72605 52.48654 18.09260 27.31854       35.65715 
1 1 1 14  -6  16 o 97.95098 16.36203 249.8986       73.92130 7.447808       166.2073 309.6823       82.53342 62.42691 27.75325 109.2918 16.29259 -46.86491      32.18216 
1 1 1 14  -6  17 o 94.13768 15.35255 229.7795       66.71676 233.1867       190.5148 229.3033       71.22700 87.88877 33.18439 93.47830 16.54292 -5.589531      37.07927 
1 1 1 14  -6  18 o 114.2996 18.93706 349.7650       99.86192 520.7906       218.3040 304.5063       112.3005 124.7143 35.12542 103.7737 23.21686 20.94059       42.10484 
1 1 1 14  -6  19 o 73.22741 22.13871 150.7060       84.06332 175.3537       376.0425 149.4095       86.24593 87.70692 40.09668 72.87598 22.50104 14.83093       45.97870 
1 1 1 14  -6  20 o 121.8309 18.66410 400.9146       105.2531 886.0123       425.0516 369.2264       108.6365 129.1436 49.37656 115.5836 20.40524 13.55993       53.42676 
1 1 1 14  -6  21 o 59.70177 23.45391 84.30689       97.89104 416.2735       432.3138 66.36613       100.5014 94.53228 43.13120 57.23758 23.32324 37.29470       49.03340 
1 1 1 14  -6  22 o 163.1095 16.33338 707.3759       125.6573 666.5566       292.7871 716.5920       139.1214 120.7686 41.72262 162.2023 18.25696 -41.43372      45.54221 
1 1 1 14  -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  13 o 148.4519 9.205370 536.3051       65.01200 366.4813       109.7768 628.0401       80.68243 118.5290 20.08882 160.2474 10.59062 -41.71841      22.70951 
1 1 1 14  -5  14 o 126.7844 10.94586 394.9220       65.69831 401.0687       143.6496 393.2962       73.87758 121.0668 25.61856 126.0371 12.42171 -4.970306      28.47121 
1 1 1 14  -5  15 o 58.88905 14.45905 89.26305       40.40429 12.00330       122.6134 98.67445       42.79452 57.02005 24.62402 61.88601 14.68594 -4.865967      28.67088 
1 1 1 14  -5  16 o 140.6360 12.98250 491.5557       86.30502 578.5684       161.3746 456.6979       102.1396 146.6052 23.84231 134.0802 16.26614 12.52496       28.86248 
1 1 1 14  -5  17 o 162.8090 13.33368 660.7825       102.8772 481.5799       189.8700 735.2568       122.4016 127.4146 31.37982 170.7995 15.14656 -43.38489      34.84410 
1 1 1 14  -5  18 o 81.20158 16.54111 172.6062       62.03195 404.8024       194.5130 146.3176       65.44937 113.7944 33.50416 74.00050 18.53998 39.79391       38.29177 
1 1 1 14  -5  19 o 96.36182 20.30040 251.8720       90.56580 238.6733       219.7262 254.5732       99.40223 89.91969 35.19400 95.89639 22.13057 -5.976707      41.57378 
1 1 1 14  -5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -5  21 o 93.60408 26.55798 260.5492       124.3298 165.5968       411.6988 270.0777       130.4191 89.38953 41.26273 94.83075 27.29627 -5.441223      49.47423 
1 1 1 14  -5  22 o 49.44467 20.26353 37.68142       76.39935 405.5000       261.0340 3.221705       79.89804 103.1873 38.86919 45.05452 19.66281 58.13274       43.55961 
1 1 1 14  -5  23 o 88.21672 28.94436 250.8765       140.9582 165.8795       464.9685 259.4786       147.9192 85.48167 40.79354 89.12911 29.66712 -3.647438      50.44057 
1 1 1 14  -5  24 o 56.12090 22.40331 69.84274       90.65974 277.3642       293.4075 47.93848       95.32438 85.78746 37.55444 53.44424 22.33357 32.34322       43.69352 
1 1 1 14  -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -4  12 o 141.7517 9.839770 489.0348       66.27006 0.000000       0.000000 489.0348       66.27006 ?        ?        141.7517 9.839770 0.000000       9.839770 
1 1 1 14  -4  13 o 153.5093 10.18970 574.2852       74.35994 0.000000       0.000000 574.2852       74.35994 ?        ?        153.5093 10.18970 0.000000       10.18970 
1 1 1 14  -4  14 o 115.7292 9.416775 326.5164       51.65200 444.0548       105.8257 289.7589       59.17993 132.4370 17.11341 108.4172 11.59736 24.01984       20.67287 
1 1 1 14  -4  15 o 63.87110 26.31487 55.06302       129.7285 55.06302       129.7285 0.000000       0.000000 63.87110 26.31487 ?        ?        0.000000       26.31487 
1 1 1 14  -4  16 o 128.1129 12.02151 404.9361       72.77069 463.4712       157.0403 388.9299       82.11958 130.3795 26.10505 124.8493 13.99870 5.530159       29.62157 
1 1 1 14  -4  17 o 47.69432 18.47154 40.39802       60.02491 -217.9572      155.5752 85.58354       65.06260 46.67292 22.60609 58.94772 19.67695 -12.27481      29.97028 
1 1 1 14  -4  18 o 41.21765 18.34400 -19.39594      72.81203 -9.667912      105.1041 -28.37272      100.9642 50.85564 22.36306 47.79927 21.41409 3.056374       30.96239 
1 1 1 14  -4  19 o 141.4743 12.96112 497.5891       86.69237 515.6581       148.9574 488.3339       106.6074 138.4776 23.32778 138.5732 16.40971 -0.9555054E-01 28.52129 
1 1 1 14  -4  20 o 139.5185 33.69040 595.9266       222.1614 595.9266       222.1614 0.000000       0.000000 139.5185 33.69040 ?        ?        0.000000       33.69040 
1 1 1 14  -4  21 o 57.59072 25.46540 1.300187       138.0791 -44.44821      362.7044 9.054137       149.3229 80.25069 37.60633 60.20974 26.55888 20.04094       46.03923 
1 1 1 14  -4  22 o 66.97713 28.46709 68.95618       159.1373 269.8526       386.8207 28.02768       174.5969 95.67799 42.44850 65.02060 28.69824 30.65739       51.23928 
1 1 1 14  -4  23 o 81.14192 31.49561 186.7997       174.8075 245.4940       416.6298 174.2593       192.5785 93.54351 42.54883 80.44199 32.46486 13.10152       53.51981 
1 1 1 14  -4  24 o 60.52855 27.04101 12.61854       159.7926 151.4476       263.0831 -68.53752      201.1469 80.62351 35.41936 60.29129 28.17255 20.33222       45.25731 
1 1 1 14  -4  25 o 56.67014 24.55016 36.48134       122.6476 360.1779       484.3968 14.30814       126.7787 92.48644 43.37830 54.95415 24.34532 37.53229       49.74305 
1 1 1 14  -4  26 o 59.34192 27.37817 -12.68351      180.9048 404.4409       512.0005 -72.18642      193.3778 90.38776 43.04312 57.11777 26.97984 33.26999       50.79982 
1 1 1 14  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -3  12 o 260.3484 9.747446 1640.478       121.1118 0.000000       0.000000 1640.478       121.1118 ?        ?        260.3484 9.747446 0.000000       9.747446 
1 1 1 14  -3  13 o 137.5139 8.466217 457.5898       55.39028 596.9631       98.65144 393.4230       66.93739 155.8342 13.37046 126.8824 11.14787 28.95172       17.40816 
1 1 1 14  -3  14 o 310.1341 7.562524 2315.685       112.1307 2559.612       171.7677 2134.539       148.0223 324.5552 11.08619 296.6208 10.45434 27.93439       15.23801 
1 1 1 14  -3  15 o 51.41132 16.98398 63.25693       48.50299 -9.901369      110.4654 80.72970       53.98526 52.68043 23.05267 56.96920 17.83630 -4.288773      29.14720 
1 1 1 14  -3  16 o 292.9998 8.520365 2075.357       119.2264 2562.237       203.6069 1821.292       147.0803 323.1019 13.20873 273.3084 11.28048 49.79349       17.37009 
1 1 1 14  -3  17 o 47.60265 19.18040 30.46755       67.10018 227.4736       170.1234 -5.826372      73.01991 91.99156 31.80262 43.32781 18.85497 48.66375       36.97184 
1 1 1 14  -3  18 o 239.7903 9.881855 1398.032       113.0438 1731.591       215.1898 1270.898       132.8515 262.5375 17.23978 227.5747 12.25573 34.96286       21.15214 
1 1 1 14  -3  19 f 82.80609 16.96394 177.2994       64.89775 -83.95970      205.7879 206.1520       68.38747 63.91323 29.38314 89.58141 16.57844 -25.66818      33.73742 
1 1 1 14  -3  20 o 162.9844 18.44664 679.3789       141.2141 855.5753       239.6485 585.6576       174.7815 174.8407 29.73322 146.7571 25.85499 28.08356       39.40234 
1 1 1 14  -3  21 o 209.5959 15.79473 1104.708       157.1072 1155.495       300.6658 1085.633       184.2640 199.6267 32.62956 205.5689 18.96243 -5.942184      37.73940 
1 1 1 14  -3  22 o 152.3976 21.87168 620.2614       154.7953 1217.384       333.5374 456.3396       174.7556 198.0884 36.56575 124.8809 29.70498 73.20749       47.11094 
1 1 1 14  -3  23 o 263.7094 13.93845 1744.639       175.1069 2292.539       287.8757 1422.863       220.6131 294.4571 20.57865 232.3071 20.06005 62.14999       28.73825 
1 1 1 14  -3  24 o 131.6837 28.55831 515.5148       174.6060 992.1289       423.0324 417.6449       191.6968 149.0412 50.17942 113.8489 33.18972 35.19231       60.16254 
1 1 1 14  -3  25 o 64.62595 25.19331 97.30962       112.2272 27.12589       446.0858 102.0520       115.9569 85.04956 40.40861 65.72375 25.61215 19.32581       47.84180 
1 1 1 14  -3  26 o 94.99638 29.64939 289.0181       149.2966 317.1701       284.1063 278.2783       175.4787 93.18204 38.71728 91.50685 32.25439 1.675194       50.39220 
1 1 1 14  -3  27 o 49.24092 21.69191 7.863772       99.30236 18.30617       291.2191 6.489851       105.6332 71.58035 33.59238 50.28849 22.25319 21.29187       40.29457 
1 1 1 14  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -2  12 o 71.48367 13.15347 128.2125       43.29671 0.000000       0.000000 128.2125       43.29671 ?        ?        71.48367 13.15347 0.000000       13.15347 
1 1 1 14  -2  13 o 144.2258 8.417440 502.8446       57.78827 528.0493       86.01273 482.1064       78.02048 146.8828 12.36317 140.4715 11.72430 6.411224       17.03840 
1 1 1 14  -2  14 o 116.9607 11.20952 334.5253       61.91466 443.6414       102.2389 271.3336       77.80392 133.3263 16.38360 103.8967 16.19113 29.42967       23.03422 
1 1 1 14  -2  15 o 102.4276 13.64246 260.3419       65.14668 251.6810       116.6765 264.2650       78.52750 97.36768 24.95263 102.3440 16.61866 -4.976341      29.98022 
1 1 1 14  -2  16 o 247.6788 8.812046 1481.796       104.1793 1896.126       172.7588 1245.024       130.5969 278.5599 13.00811 225.9353 12.13492 52.62460       17.78952 
1 1 1 14  -2  17 o 256.3653 9.969353 1593.183       121.9568 1855.724       219.3045 1475.641       146.7395 273.2711 16.86815 245.7208 12.53238 27.55026       21.01416 
1 1 1 14  -2  18 o 77.10886 22.30305 155.9447       86.87209 364.3726       182.2870 94.69675       98.81511 113.5627 32.13637 65.44267 24.05552 48.12000       40.14242 
1 1 1 14  -2  19 o 103.4036 21.24486 281.0672       101.5109 346.9079       200.9273 258.5027       117.6262 109.7255 34.41835 97.72060 25.05971 12.00487       42.57478 
1 1 1 14  -2  20 o 135.8078 21.62404 482.1253       135.6975 346.8054       217.2482 568.6958       173.7642 108.8831 35.94349 145.1612 25.99265 -36.27810      44.35709 
1 1 1 14  -2  21 o 127.6604 24.82514 440.1655       146.0580 537.0441       241.6502 384.4019       183.3364 132.9832 36.77438 115.1356 32.10432 17.84762       48.81642 
1 1 1 14  -2  22 o 118.0597 18.34563 359.4524       100.1876 444.5038       162.1155 306.8967       127.4365 126.3328 27.61364 105.5822 25.52943 20.75059       37.60671 
1 1 1 14  -2  23 o 74.74772 26.91582 141.3833       122.8253 253.4256       160.3057 -17.89836      191.1353 94.00923 30.86810 65.62403 29.42669 28.38520       42.64704 
1 1 1 14  -2  24 o 56.22893 23.89211 28.77293       112.0432 79.38259       312.7363 21.32032       120.0096 84.01086 37.65862 56.81216 24.44620 27.19870       44.89753 
1 1 1 14  -2  25 o 64.97939 27.51181 60.81422       147.6700 95.34097       217.6633 31.37043       201.0038 75.87766 32.78806 68.92100 30.58715 6.956657       44.84006 
1 1 1 14  -2  26 o 119.1194 29.10806 430.2681       164.3382 767.9870       248.2896 166.9712       219.2319 154.2144 34.53667 81.40301 33.93206 72.81142       48.41659 
1 1 1 14  -2  27 o 54.68428 26.18780 -157.7458      195.2402 -255.7976      416.2041 -130.0817      221.0735 73.19832 35.79135 59.69544 28.38653 13.50288       45.68168 
1 1 1 14  -2  28 o 108.5365 25.47827 355.1537       129.9274 282.5022       263.7524 378.4329       149.2991 88.54682 37.08633 109.3169 28.33573 -20.77008      46.67236 
1 1 1 14  -2  29 o 55.64924 24.35477 32.80240       123.3297 -287.8483      269.0889 118.0696       138.7621 56.55418 27.87676 67.19058 27.39552 -10.63641      39.08488 
1 1 1 14  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  -1  11 o 118.9577 10.67363 344.7727       60.05883 0.000000       0.000000 344.7727       60.05883 ?        ?        118.9577 10.67363 0.000000       10.67363 
1 1 1 14  -1  12 o 144.1131 8.027025 501.2712       55.08675 594.0605       81.67852 423.8483       74.60939 156.3003 11.00075 131.6680 11.98353 24.63229       16.26719 
1 1 1 14  -1  13 o 180.3055 8.221990 784.2641       70.68867 845.4046       100.9419 725.4255       99.02346 186.4571 11.37775 172.4769 12.08526 13.98029       16.59840 
1 1 1 14  -1  14 o 42.60104 17.36074 19.07297       55.69033 -3.783462      86.53557 35.23148       72.75973 47.78052 20.66035 50.27549 20.07004 -2.494965      28.80376 
1 1 1 14  -1  15 o 163.6683 11.19601 652.0850       87.07890 770.4835       127.4792 548.5129       119.2305 176.6770 15.24100 148.2086 17.14263 28.46837       22.93813 
1 1 1 14  -1  16 o 63.67144 18.44473 102.9267       59.37306 130.0057       78.63104 67.00890       90.55908 71.35773 21.37544 59.66660 22.79648 11.69114       31.25042 
1 1 1 14  -1  17 f 67.83141 22.33001 113.0789       83.86845 225.4436       142.7197 53.80895       103.6540 92.39679 29.01119 59.92097 23.94345 32.47582       37.61566 
1 1 1 14  -1  18 o 58.70992 22.95794 58.90740       93.42976 -142.3974      164.2721 155.1603       113.5910 53.67583 25.20248 78.45663 25.99406 -24.78080      36.20575 
1 1 1 14  -1  19 o 86.58638 25.09577 198.5999       109.8864 58.64021       195.8009 262.9497       132.7660 75.19010 31.74969 98.67738 27.24666 -23.48728      41.83806 
1 1 1 14  -1  20 o 224.0350 13.01073 1231.950       138.7565 1626.880       215.5091 952.3068       181.3459 254.7646 17.80578 193.4805 19.88766 61.28409       26.69391 
1 1 1 14  -1  21 o 124.2361 22.34101 405.8834       127.8183 512.1172       178.4846 294.0485       183.1295 136.5280 28.27570 102.1252 32.95475 34.40282       43.42270 
1 1 1 14  -1  22 o 235.5274 13.47020 1368.528       151.0459 1426.601       224.1722 1320.241       204.4148 236.1429 20.04556 227.9247 18.92981 8.218155       27.57104 
1 1 1 14  -1  23 o 84.28860 23.18259 191.4783       96.32571 153.6730       155.9132 214.8167       122.5016 79.89178 30.05159 88.48717 26.71931 -8.595398      40.21218 
1 1 1 14  -1  24 o 65.10523 28.42068 15.77290       167.0145 235.8459       269.3961 -121.6181      212.8565 95.79661 38.49022 62.26075 29.05595 33.53586       48.22598 
1 1 1 14  -1  25 o 185.1637 18.37069 883.5551       160.4839 820.7845       213.3247 965.4015       243.5920 171.7366 26.86135 184.9278 28.46344 -13.19116      39.13693 
1 1 1 14  -1  26 f 65.74933 29.24791 12.47999       184.8741 -266.6674      301.1916 181.2309       234.1796 65.34894 31.60420 85.26736 35.26481 -19.91842      47.35433 
1 1 1 14  -1  27 o 55.60541 25.31474 -34.32686      147.8842 2.751039       185.1653 -99.63400      245.7437 64.21616 28.86580 65.32136 30.71891 -1.105202      42.15312 
1 1 1 14  -1  28 o 44.45648 21.73255 -223.1903      153.1877 90.25140       191.3917 -781.9261      255.5336 71.57773 30.83664 44.52962 22.62560 27.04811       38.24678 
1 1 1 14  -1  29 o 108.4386 36.44549 439.1051       223.1614 344.1822       401.2828 481.6060       268.5126 93.18081 42.13423 108.5916 39.69659 -15.41080      57.88880 
1 1 1 14  -1  30 o 68.75117 31.37118 59.33715       228.7728 -360.0476      421.7220 234.2149       272.3249 66.86357 33.29287 82.56881 36.16186 -15.70524      49.15379 
1 1 1 14  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0   10 o 125.3019 10.65314 381.7448       63.21360 0.000000       0.000000 381.7448       63.21360 ?        ?        125.3019 10.65314 0.000000       10.65314 
1 1 1 14  0   11 o 206.9965 7.538492 1030.847       74.47834 1050.907       104.5511 1010.180       106.1231 208.3743 10.52896 204.1932 10.91038 4.181183       15.16230 
1 1 1 14  0   12 o 113.2075 9.527675 311.0695       51.08871 350.6656       70.38688 266.9839       74.27011 119.6312 12.49043 103.4730 15.48906 16.15820       19.89778 
1 1 1 14  0   13 o 193.6431 8.450223 904.2061       78.04259 893.9778       108.6971 915.0887       112.1203 191.7231 11.91757 193.9157 12.15494 -2.192596      17.02266 
1 1 1 14  0   14 o 219.9590 8.811776 1167.320       92.47697 1200.075       128.7174 1132.377       132.9496 222.1079 12.16822 215.4797 12.96541 6.628189       17.78110 
1 1 1 14  0   15 o 37.80111 17.33141 -46.53401      70.93532 -122.2802      103.9144 19.56303       97.07031 40.91187 19.45657 53.67102 22.49030 -12.75916      29.73839 
1 1 1 14  0   16 o 151.5275 12.17257 560.9321       87.44112 613.5979       137.2906 524.9875       113.4211 156.3264 18.74286 145.2059 16.63824 11.12057       25.06244 
1 1 1 14  0   17 o 174.7370 13.21087 747.8147       109.5457 970.2488       160.4606 553.6485       149.9183 197.6327 17.15216 146.9788 22.01140 50.65392       27.90517 
1 1 1 14  0   18 o 52.29812 20.59460 42.80108       75.63556 190.0113       153.8454 -4.121548      86.85735 87.19298 30.23783 47.78926 20.68143 39.40371       36.63397 
1 1 1 14  0   19 o 54.03054 23.42586 -3.480259      111.8573 -120.2439      170.4362 84.86716       148.2535 56.48032 26.23730 71.66007 28.63469 -15.17975      38.83737 
1 1 1 14  0   20 o 186.5268 31.40377 945.5032       270.1093 945.5032       270.1093 0.000000       0.000000 186.5268 31.40377 ?        ?        0.000000       31.40377 
1 1 1 14  0   21 o 207.9917 16.63187 1077.300       164.0078 1100.295       214.4941 1044.931       254.4831 207.1929 21.98905 198.1693 27.60911 9.023544       35.29562 
1 1 1 14  0   22 o 77.34839 28.29769 142.3395       136.4865 147.0136       165.5978 132.4383       241.0177 80.72881 30.83095 86.46232 35.76909 -5.733513      47.22262 
1 1 1 14  0   23 o 71.36425 28.30874 96.51340       143.8659 217.0300       175.8024 -147.8160      250.3163 90.54638 32.24852 67.22829 31.41854 23.31809       45.02324 
1 1 1 14  0   24 o 174.1271 25.24612 812.3341       204.0466 951.8889       303.5872 697.3461       275.5734 178.6964 36.76258 150.8679 38.18002 27.82854       53.00189 
1 1 1 14  0   25 f 244.6143 16.74328 1506.882       194.6275 1858.880       255.1599 1017.158       300.9670 268.9656 19.98583 185.5210 35.22041 83.44456       40.49581 
1 1 1 14  0   26 o 103.9678 35.24648 329.1919       208.7224 537.2573       302.1785 139.3493       288.6426 125.3032 42.41003 87.75362 37.83780 37.54953       56.83581 
1 1 1 14  0   27 o 178.5125 21.73681 853.7541       181.6922 861.7780       226.0251 839.0994       305.4572 173.3392 28.24589 156.9335 40.45525 16.40567       49.34022 
1 1 1 14  0   28 o 121.6103 29.55745 448.1158       170.1459 627.1666       333.6104 385.1687       197.8058 124.8727 44.42923 108.4101 34.16991 16.46257       56.04943 
1 1 1 14  0   29 o 59.08870 25.66421 30.73155       134.7421 134.3634       198.6473 -57.57896      183.3759 76.39443 32.10296 59.07320 27.36335 17.32124       42.18238 
1 1 1 14  0   30 o 65.70606 27.42208 90.13052       143.4348 -203.1902      216.6701 318.9551       191.3722 54.88837 26.60725 95.62875 33.68545 -40.74038      42.92616 
1 1 1 14  0   31 o 94.93516 33.59164 333.4738       190.4750 443.5187       230.9129 99.17221       336.9388 104.6853 36.99104 76.76891 36.06079 27.91644       51.65963 
1 1 1 14  1   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   9  o 108.0658 7.860714 282.0162       40.33468 0.000000       0.000000 282.0162       40.33468 ?        ?        108.0658 7.860714 0.000000       7.860714 
1 1 1 14  1   10 o 72.24682 9.533450 127.8303       32.12606 0.000000       0.000000 127.8303       32.12606 ?        ?        72.24682 9.533450 0.000000       9.533450 
1 1 1 14  1   11 o 136.5639 9.553263 451.3867       61.97951 402.9754       78.78783 529.9856       100.3909 128.2911 13.02598 146.9312 14.47925 -18.64011      19.47626 
1 1 1 14  1   12 o 141.7861 10.04273 487.1111       67.63539 491.5636       83.81438 478.7987       114.5203 141.9219 12.47963 138.6390 17.67949 3.282959       21.64036 
1 1 1 14  1   13 o 58.46959 18.24134 83.87782       56.51713 85.53799       71.35410 81.08272       92.58489 60.62976 20.60760 62.92215 23.25760 -2.292397      31.07393 
1 1 1 14  1   14 o 314.6357 9.601294 2388.396       144.2573 2413.350       169.5405 2322.944       274.5805 315.7373 11.24952 306.3115 18.84103 9.425751       21.94393 
1 1 1 14  1   15 o 222.6052 9.848804 1197.744       104.5564 1164.284       141.8078 1237.600       154.7714 218.3612 13.65195 224.8674 14.47332 -6.506226      19.89605 
1 1 1 14  1   16 o 150.0488 14.20750 553.5365       100.7058 705.0441       142.0444 400.4177       142.7977 168.2192 17.93846 123.7416 24.99922 44.47760       30.76929 
1 1 1 14  1   17 o 134.8291 14.12953 448.0567       89.72810 475.1187       111.6014 398.5808       150.8993 137.8825 17.31035 122.7057 26.49892 15.17674       31.65187 
1 1 1 14  1   18 o 46.39740 19.80915 3.620985       77.66887 -76.73058      91.12414 217.0440       148.5104 40.99180 19.09039 91.37988 29.69215 -50.38808      35.29967 
1 1 1 14  1   19 o 191.9378 14.30350 905.1276       130.3099 1182.754       191.2964 664.7697       177.9940 217.6404 18.56178 160.3505 23.95113 57.28998       30.30175 
1 1 1 14  1   20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1   21 o 275.2043 15.44665 1866.025       202.4191 2069.992       320.5489 1730.747       261.0529 284.2479 23.80634 261.7073 21.04152 22.54059       31.77243 
1 1 1 14  1   22 o 261.3709 16.83921 1697.254       209.3005 1913.677       321.3352 1537.777       275.8380 271.5954 25.02861 244.0955 23.94441 27.49986       34.63764 
1 1 1 14  1   23 o 133.9742 30.90493 502.1141       193.9181 351.9579       292.7176 619.5556       258.8737 111.2283 41.30951 144.7919 37.20033 -33.56357      55.59082 
1 1 1 14  1   24 o 197.3501 18.61080 987.2983       173.5210 649.4396       316.8667 1132.014       207.3797 142.6013 42.95372 209.8767 20.94727 -67.27538      47.78923 
1 1 1 14  1   25 o 77.91352 27.37810 154.4548       126.3602 352.3123       197.4420 17.19757       164.4488 109.6221 34.07819 65.26957 28.35061 44.35255       44.32922 
1 1 1 14  1   26 o 64.08141 28.24774 -0.2981656     168.6505 -108.5442      207.7541 208.8801       288.8031 62.43214 28.99033 94.93553 39.20311 -32.50340      48.75780 
1 1 1 14  1   27 o 64.49855 28.06621 22.33188       161.7722 256.6489       333.0060 -50.04690      185.0784 99.14098 41.60736 62.14653 28.30317 36.99444       50.32138 
1 1 1 14  1   28 o 71.78913 27.59330 123.7352       133.2162 424.5211       186.4347 -190.0504      190.4209 117.4325 32.23333 53.64767 25.73668 63.78488       41.24760 
1 1 1 14  1   29 o 141.0892 27.94870 584.7956       181.8538 572.3618       215.4590 615.5927       339.0922 133.5599 33.73777 123.0860 44.66759 10.47388       55.97706 
1 1 1 14  1   30 o 61.73272 27.92319 -6.330488      176.4117 101.9515       343.4810 -45.12767      205.6008 82.91448 38.06069 62.85049 29.06430 20.06399       47.88893 
1 1 1 14  1   31 o 52.56510 24.74198 -86.29269      160.0478 -153.6634      254.6629 -42.31168      205.7608 61.50552 29.57294 61.67509 28.71067 -0.1695709     41.21725 
1 1 1 14  1   32 o 93.75738 33.99163 331.1541       196.3080 484.8881       233.1231 -43.58244      363.9682 109.0829 37.24540 72.04941 34.81970 37.03351       50.98658 
1 1 1 14  2   0  o 177.1267 8.020873 755.1607       67.74630 0.000000       0.000000 755.1607       67.74630 ?        ?        177.1267 8.020873 0.000000       8.020873 
1 1 1 14  2   1  o 119.3192 8.946478 344.2633       50.66370 0.000000       0.000000 344.2633       50.66370 ?        ?        119.3192 8.946478 0.000000       8.946478 
1 1 1 14  2   2  o 204.9201 7.331492 1009.107       71.71085 0.000000       0.000000 1009.107       71.71085 ?        ?        204.9201 7.331492 0.000000       7.331492 
1 1 1 14  2   3  o 30.57438 13.69223 -17.85007      41.23614 0.000000       0.000000 -17.85007      41.23614 ?        ?        30.57438 13.69223 0.000000       13.69223 
1 1 1 14  2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  2   5  o 139.7110 12.19325 475.2102       80.62867 0.000000       0.000000 475.2102       80.62867 ?        ?        139.7110 12.19325 0.000000       12.19325 
1 1 1 14  2   6  o 304.6664 7.067035 2227.129       102.9367 0.000000       0.000000 2227.129       102.9367 ?        ?        304.6664 7.067035 0.000000       7.067035 
1 1 1 14  2   7  o 219.7820 7.532139 1160.948       79.02718 0.000000       0.000000 1160.948       79.02718 ?        ?        219.7820 7.532139 0.000000       7.532139 
1 1 1 14  2   8  o 325.6357 7.367486 2545.227       114.6990 0.000000       0.000000 2545.227       114.6990 ?        ?        325.6357 7.367486 0.000000       7.367486 
1 1 1 14  2   9  o 243.2800 7.533884 1422.292       87.52055 0.000000       0.000000 1422.292       87.52055 ?        ?        243.2800 7.533884 0.000000       7.533884 
1 1 1 14  2   10 o 104.7852 9.327198 266.2879       46.23826 0.000000       0.000000 266.2879       46.23826 ?        ?        104.7852 9.327198 0.000000       9.327198 
1 1 1 14  2   11 o 269.3580 8.096415 1744.872       104.1448 1783.184       136.2942 1691.115       161.4457 271.7438 10.51063 263.9707 12.83114 7.773163       16.58649 
1 1 1 14  2   12 o 212.5806 9.407504 1090.040       95.37389 1179.532       124.1270 961.0589       149.0168 220.5915 11.81288 197.9106 15.88241 22.68088       19.79381 
1 1 1 14  2   13 o 200.8490 9.740391 974.1341       93.25188 1060.899       118.5602 833.3843       151.0044 209.1131 11.90826 183.6617 17.40508 25.45131       21.08895 
1 1 1 14  2   14 o 272.5675 9.113337 1790.558       118.5902 1863.299       154.4209 1685.979       185.1557 277.3357 11.67250 262.7204 14.80113 14.61526       18.84995 
1 1 1 14  2   15 o 268.3388 9.583454 1737.371       122.7484 1788.092       160.3340 1665.545       190.7983 271.3939 12.38980 260.8294 15.36875 10.56445       19.74097 
1 1 1 14  2   16 o 141.9238 15.31646 497.0966       102.2814 538.9847       131.8820 433.8752       162.0214 146.5638 19.28912 128.3402 27.24908 18.22356       33.38536 
1 1 1 14  2   17 o 167.4047 15.05103 689.6185       119.1752 563.2579       159.5706 849.0021       179.2127 148.1797 23.29219 183.6642 20.77393 -35.48447      31.21029 
1 1 1 14  2   18 o 64.17803 25.50339 64.50777       116.9628 94.97587       157.1761 26.69836       175.0910 74.59708 29.58990 69.79562 29.76893 4.801468       41.97322 
1 1 1 14  2   19 o 162.5125 21.28098 670.8862       161.3745 868.5679       268.2239 558.7355       202.0297 178.9146 32.55663 143.8823 30.32730 35.03236       44.49359 
1 1 1 14  2   20 o 108.4339 29.28597 318.0657       155.3631 280.3831       179.9039 428.6151       308.1404 102.1422 32.63451 122.7989 42.78180 -20.65670      53.80793 
1 1 1 14  2   21 o 124.5351 28.06791 416.5395       163.1003 711.4576       287.6210 276.7540       198.0162 157.2907 38.55244 101.9425 34.33125 55.34818       51.62292 
1 1 1 14  2   22 o 79.91290 33.49265 76.47311       215.3338 229.7426       294.9361 -98.49344      315.1212 101.7807 40.48140 80.35765 36.72488 21.42307       54.65767 
1 1 1 14  2   23 o 58.02733 26.39826 -69.00726      160.4504 -315.0191      312.8295 18.81287       186.9075 69.37695 33.20380 70.21748 30.36287 -0.8405228     44.99329 
1 1 1 14  2   24 o 79.68262 34.05233 66.62484       229.9041 74.52063       320.4017 58.24478       330.0811 89.83905 39.28802 89.68500 39.52689 0.1540527      55.73082 
1 1 1 14  2   25 o 130.7224 24.84084 457.8167       149.5735 738.3278       207.3852 153.7104       215.9312 165.2120 27.20183 85.82767 34.46844 79.38433       43.90915 
1 1 1 14  2   26 o 105.3764 31.95076 319.5131       174.9140 346.3385       206.7646 252.0009       328.0145 108.4589 35.01842 101.2886 41.79858 7.170357       54.52899 
1 1 1 14  2   27 o 65.78202 28.31942 30.79497       161.1974 358.1772       350.6147 -56.95380      181.5194 109.6124 43.95565 61.58777 28.04134 48.02466       52.13843 
1 1 1 14  2   28 o 176.4521 24.19369 840.8732       198.7290 766.6595       249.8988 968.5487       327.7750 160.0985 33.71595 172.9205 40.38306 -12.82204      52.60758 
1 1 1 14  2   29 o 52.83052 25.05538 -138.7212      169.9874 -235.8218      387.6497 -115.6047      189.1423 75.05298 36.18777 57.45398 26.99742 17.59900       45.14882 
1 1 1 14  2   30 o 83.97620 33.22865 200.1439       197.7562 206.3023       245.5870 188.7865       333.5123 86.40189 35.95661 88.67301 39.37380 -2.271126      53.32143 
1 1 1 14  2   31 o 54.61671 25.32243 -61.44727      157.5874 -378.6820      253.3859 138.6546       201.2416 54.05885 26.72198 76.61988 32.26152 -22.56103      41.89116 
1 1 1 14  2   32 o 72.84437 33.42216 62.77797       264.4302 447.7466       404.2138 -225.2246      349.6203 97.39868 43.29189 66.99649 32.76841 30.40219       54.29509 
1 1 1 14  2   33 o 77.67007 31.96984 197.0545       191.2379 63.76918       424.9085 230.9109       214.1536 77.40171 37.45847 81.15336 33.65783 -3.751648      50.35858 
1 1 1 14  3   0  o 145.4935 9.843878 511.8434       68.06968 0.000000       0.000000 511.8434       68.06968 ?        ?        145.4935 9.843878 0.000000       9.843878 
1 1 1 14  3   1  o 452.9412 7.519364 4923.998       162.8288 0.000000       0.000000 4923.998       162.8288 ?        ?        452.9412 7.519364 0.000000       7.519364 
1 1 1 14  3   2  o 285.7316 7.582428 1960.934       103.4882 0.000000       0.000000 1960.934       103.4882 ?        ?        285.7316 7.582428 0.000000       7.582428 
1 1 1 14  3   3  o 83.86111 11.41246 172.6777       44.56984 0.000000       0.000000 172.6777       44.56984 ?        ?        83.86111 11.41246 0.000000       11.41246 
1 1 1 14  3   4  o 177.4995 7.840713 757.8397       66.37249 0.000000       0.000000 757.8397       66.37249 ?        ?        177.4995 7.840713 0.000000       7.840713 
1 1 1 14  3   5  f 204.6860 12.45736 1016.040       121.3281 0.000000       0.000000 1016.040       121.3281 ?        ?        204.6860 12.45736 0.000000       12.45736 
1 1 1 14  3   6  o 83.64148 10.44389 171.0704       40.85551 0.000000       0.000000 171.0704       40.85551 ?        ?        83.64148 10.44389 0.000000       10.44389 
1 1 1 14  3   7  o 24.02288 10.64811 -8.356026      24.28469 0.000000       0.000000 -8.356026      24.28469 ?        ?        24.02288 10.64811 0.000000       10.64811 
1 1 1 14  3   8  o 225.4318 7.955449 1221.853       85.60654 0.000000       0.000000 1221.853       85.60654 ?        ?        225.4318 7.955449 0.000000       7.955449 
1 1 1 14  3   9  o 105.1904 9.383261 268.2772       46.69385 0.000000       0.000000 268.2772       46.69385 ?        ?        105.1904 9.383261 0.000000       9.383261 
1 1 1 14  3   10 o 321.3870 7.691298 2479.926       118.1779 0.000000       0.000000 2479.926       118.1779 ?        ?        321.3870 7.691298 0.000000       7.691298 
1 1 1 14  3   11 o 164.5431 10.19349 654.7108       79.79457 662.8608       95.73998 636.1708       144.4001 165.1597 12.21135 159.8520 19.28391 5.307678       22.82512 
1 1 1 14  3   12 o 62.85630 19.24230 97.63888       63.23957 83.50782       71.37285 149.2569       136.4101 60.30691 20.60809 80.51714 28.43302 -20.21024      35.11595 
1 1 1 14  3   13 o 143.9086 12.57874 504.8625       85.67401 500.7239       101.8522 514.8752       158.4250 142.6909 15.16205 141.8086 24.23760 0.8822784      28.58931 
1 1 1 14  3   14 o 178.2701 11.06651 770.0532       93.85358 763.6216       120.9746 779.7768       148.7463 176.6893 14.44710 177.5489 17.76164 -0.8595581     22.89530 
1 1 1 14  3   15 o 94.57336 17.82817 226.1441       77.65339 239.6112       105.8758 210.4660       114.2372 96.12797 23.28630 90.08501 25.42238 6.042953       34.47534 
1 1 1 14  3   16 o 119.7517 13.20620 351.9914       74.35392 352.2705       93.46071 351.5101       122.7225 118.8269 16.92981 116.8757 22.78193 1.951187       28.38371 
1 1 1 14  3   17 o 132.4869 16.05580 435.0590       99.62548 489.8245       144.6118 385.5873       137.4447 138.4574 22.62719 121.8843 24.43840 16.57301       33.30503 
1 1 1 14  3   18 o 207.0185 15.75328 1054.194       154.7446 1065.539       200.5491 1037.502       243.2698 206.1001 20.63028 200.6708 25.96494 5.429276       33.16303 
1 1 1 14  3   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  3   20 o 93.47488 30.68856 226.9863       158.4484 120.5855       176.4267 670.6874       360.2773 80.12701 31.48401 148.9671 45.98773 -68.84007      55.73252 
1 1 1 14  3   21 o 168.8090 22.96665 731.0380       180.5513 684.8775       208.4933 869.4628       361.0474 160.6579 28.17109 170.4161 44.00930 -9.758240      52.25351 
1 1 1 14  3   22 o 51.37609 24.59764 -209.8167      172.0237 -309.4331      301.0182 -161.5067      209.6263 68.47835 32.71862 61.29159 28.67912 7.186756       43.50862 
1 1 1 14  3   23 o 113.6544 31.87693 356.5100       180.1861 567.2075       314.0035 253.0682       220.0152 137.6082 43.00654 99.49689 35.99775 38.11131       56.08387 
1 1 1 14  3   24 o 258.7434 21.21947 1699.777       260.1857 1875.666       354.4374 1494.231       383.1545 266.0488 28.29941 230.6416 35.91693 35.40723       45.72617 
1 1 1 14  3   25 o 52.78831 24.53076 -102.9119      149.1864 -315.6711      206.0764 131.3826       216.2544 52.27524 25.47849 84.04968 34.22607 -31.77444      42.66823 
1 1 1 14  3   26 o 172.1873 21.73528 769.5172       174.9475 682.0847       247.0684 857.4391       247.7592 153.1825 34.56104 175.5432 30.63522 -22.36064      46.18422 
1 1 1 14  3   27 o 86.70155 36.78575 125.2051       264.9360 285.8215       366.7875 -50.01234      383.0965 105.3359 43.89771 86.52793 39.89228 18.80801       59.31613 
1 1 1 14  3   28 o 125.4540 28.68735 444.8121       168.3084 483.4068       229.7048 400.0718       247.3180 125.4526 36.26101 113.4353 38.36774 12.01730       52.79152 
1 1 1 14  3   29 o 68.13670 30.18797 13.51970       194.9736 154.9062       222.1863 -459.9423      406.5892 83.58897 34.43845 71.29248 34.96669 12.29649       49.07827 
1 1 1 14  3   30 o 53.44479 25.16069 -112.8883      165.6466 -108.6370      227.2709 -117.7059      241.9357 63.13907 29.64513 64.54836 30.39405 -1.409286      42.45742 
1 1 1 14  3   31 o 100.2388 36.28355 343.0490       223.5568 788.5810       416.5893 162.8530       264.9362 129.4335 49.02568 83.25343 36.07432 46.18010       60.86767 
1 1 1 14  3   32 o 60.64976 28.54552 -86.91516      212.9760 -39.99199      251.6438 -205.3834      399.8467 67.54948 31.54667 72.96802 35.54751 -5.418533      47.52702 
1 1 1 14  3   33 o 65.10812 28.55374 68.62084       170.3087 -353.7774      267.3821 356.9762       220.9201 54.83287 27.16645 96.19318 35.85621 -41.36031      44.98537 
1 1 1 14  4   0  o 279.8950 7.636876 1881.611       102.0970 0.000000       0.000000 1881.611       102.0970 ?        ?        279.8950 7.636876 0.000000       7.636876 
1 1 1 14  4   1  o 163.6459 9.005540 645.5922       70.18525 0.000000       0.000000 645.5922       70.18525 ?        ?        163.6459 9.005540 0.000000       9.005540 
1 1 1 14  4   2  o 311.1153 7.479764 2322.429       111.2545 0.000000       0.000000 2322.429       111.2545 ?        ?        311.1153 7.479764 0.000000       7.479764 
1 1 1 14  4   3  o 140.3451 8.957842 475.2344       59.79103 0.000000       0.000000 475.2344       59.79103 ?        ?        140.3451 8.957842 0.000000       8.957842 
1 1 1 14  4   4  o 489.6049 7.546711 5751.727       176.6493 0.000000       0.000000 5751.727       176.6493 ?        ?        489.6049 7.546711 0.000000       7.546711 
1 1 1 14  4   5  o 221.9078 7.846971 1183.367       83.11872 0.000000       0.000000 1183.367       83.11872 ?        ?        221.9078 7.846971 0.000000       7.846971 
1 1 1 14  4   6  o 310.7096 7.701348 2316.826       114.4010 0.000000       0.000000 2316.826       114.4010 ?        ?        310.7096 7.701348 0.000000       7.701348 
1 1 1 14  4   7  o 246.9870 8.062634 1466.122       95.07733 0.000000       0.000000 1466.122       95.07733 ?        ?        246.9870 8.062634 0.000000       8.062634 
1 1 1 14  4   8  o 215.6465 8.354992 1118.568       85.97545 0.000000       0.000000 1118.568       85.97545 ?        ?        215.6465 8.354992 0.000000       8.354992 
1 1 1 14  4   9  o 400.7771 7.874520 3856.115       150.8813 0.000000       0.000000 3856.115       150.8813 ?        ?        400.7771 7.874520 0.000000       7.874520 
1 1 1 14  4   10 o 378.6022 9.140661 3446.755       165.4509 0.000000       0.000000 3446.755       165.4509 ?        ?        378.6022 9.140661 0.000000       9.140661 
1 1 1 14  4   11 o 191.2018 10.41726 883.3325       94.86589 988.1082       113.8190 644.9310       171.6876 201.9502 11.84055 159.7199 23.15865 42.23030       26.01003 
1 1 1 14  4   12 o 199.5049 10.38016 961.5674       98.66653 1039.130       118.2471 783.7894       179.0212 207.0580 11.99647 176.8689 21.62008 30.18918       24.72536 
1 1 1 14  4   13 o 93.62385 18.76360 222.2523       81.05882 279.7538       93.47858 47.96019       162.7465 105.1811 19.30046 70.72891 29.33843 34.45217       35.11768 
1 1 1 14  4   14 o 272.4394 10.15289 1790.866       132.0102 1972.701       159.9711 1402.726       233.7202 285.5137 11.74449 237.4747 20.79558 48.03900       23.88283 
1 1 1 14  4   15 o 190.2910 12.67842 880.3947       114.6852 997.5682       137.5207 612.7991       207.8227 202.1568 14.32162 152.7492 29.52645 49.40753       32.81646 
1 1 1 14  4   16 o 209.1402 12.16278 1061.821       121.0879 1021.942       157.7041 1119.100       189.0020 203.9187 16.31216 212.5241 18.79513 -8.605377      24.88661 
1 1 1 14  4   17 o 180.1466 14.13797 793.7291       120.7898 831.9112       140.2332 683.9625       237.7695 183.8432 16.11782 159.8494 32.22666 23.99379       36.03251 
1 1 1 14  4   18 o 74.08989 26.38894 124.7207       117.7213 124.7090       126.7180 124.7942       318.1015 75.13833 27.30014 97.11712 40.70572 -21.97879      49.01279 
1 1 1 14  4   19 o 115.2199 21.23255 340.0804       112.6520 281.8429       133.7417 482.3071       209.0047 103.2045 26.85267 132.8909 33.03789 -29.68640      42.57426 
1 1 1 14  4   20 o 145.1816 23.19608 541.8860       155.5871 726.9690       221.5573 361.8089       218.5405 165.6728 29.02972 114.8011 35.87838 50.87170       46.15173 
1 1 1 14  4   21 o 39.78755 19.63450 -279.6378      134.7987 -361.7625      167.0435 -126.3155      228.2420 43.45971 21.52119 66.76727 30.78543 -23.30756      37.56200 
1 1 1 14  4   22 o 219.1674 17.93435 1195.832       186.2768 1275.585       244.1152 1084.663       288.2127 223.5112 23.18099 201.0776 30.97364 22.43359       38.68753 
1 1 1 14  4   23 o 72.95805 33.22334 -89.54169      254.9297 88.70738       324.6481 -376.2295      411.7217 93.32723 40.18371 79.83620 38.17786 13.49104       55.42814 
1 1 1 14  4   24 o 214.5476 26.81468 1206.459       269.0566 1133.534       347.0483 1316.325       425.9730 199.7708 37.71929 209.9540 43.85416 -10.18315      57.84404 
1 1 1 14  4   25 o 108.4559 39.41083 322.7021       264.0946 255.9062       341.2813 422.4034       416.9540 105.7093 43.01487 121.8744 48.24155 -16.16513      64.63379 
1 1 1 14  4   26 o 74.43454 29.80715 101.7805       160.9943 169.0472       214.9932 15.90631       242.9160 87.63749 34.65626 76.92552 33.90581 10.71197       48.48361 
1 1 1 14  4   27 o 121.0110 30.52501 415.7459       176.5538 414.9228       237.9041 416.7549       263.4089 117.2856 37.53403 116.7999 39.59558 0.4856873      54.55835 
1 1 1 14  4   28 o 143.3695 41.16106 661.1561       296.9213 735.9576       405.3764 574.5751       436.1283 142.6313 49.10139 127.3661 49.66053 15.26519       69.83634 
1 1 1 14  4   29 o 109.4397 36.45061 368.2221       223.2900 340.8980       259.2590 446.7125       439.4085 105.6334 38.94124 115.6698 48.11307 -10.03644      61.89740 
1 1 1 14  4   30 f 92.20771 35.73086 245.9786       224.6947 352.4501       413.8682 201.4791       267.5610 104.8443 45.25817 89.63756 37.43451 15.20674       58.73367 
1 1 1 14  4   31 o 81.49767 31.87714 182.4241       180.1653 462.1956       246.1981 -140.1329      264.3542 114.5762 38.27732 65.59913 31.14995 48.97707       49.35051 
1 1 1 14  4   32 o 88.54688 35.21016 246.8035       223.0800 295.8909       256.1119 92.47453       454.1179 93.58684 37.55448 87.23785 41.24848 6.348984       55.78329 
1 1 1 14  4   33 o 60.49043 28.79287 -111.4509      228.5793 -480.2107      430.7336 33.10747       269.6861 66.80531 33.32474 72.01591 33.29723 -5.210609      47.10885 
1 1 1 14  4   34 o 63.71748 28.95594 35.55298       192.4075 18.14369       266.1056 54.62589       278.5301 68.53568 32.14690 71.18925 33.22758 -2.653564      46.23306 
1 1 1 14  5   0  f 153.0743 9.369419 565.4276       68.23980 0.000000       0.000000 565.4276       68.23980 ?        ?        153.0743 9.369419 0.000000       9.369419 
1 1 1 14  5   1  o 107.5807 10.55424 281.2632       53.58589 0.000000       0.000000 281.2632       53.58589 ?        ?        107.5807 10.55424 0.000000       10.55424 
1 1 1 14  5   2  o 342.7821 7.656971 2819.226       125.4826 0.000000       0.000000 2819.226       125.4826 ?        ?        342.7821 7.656971 0.000000       7.656971 
1 1 1 14  5   3  o 152.2058 8.922642 558.4321       64.64339 0.000000       0.000000 558.4321       64.64339 ?        ?        152.2058 8.922642 0.000000       8.922642 
1 1 1 14  5   4  o 216.0505 7.922194 1121.663       81.69078 0.000000       0.000000 1121.663       81.69078 ?        ?        216.0505 7.922194 0.000000       7.922194 
1 1 1 14  5   5  o 173.5344 8.625672 724.9630       71.33844 0.000000       0.000000 724.9630       71.33844 ?        ?        173.5344 8.625672 0.000000       8.625672 
1 1 1 14  5   6  o 74.74595 12.43371 138.3522       42.87183 0.000000       0.000000 138.3522       42.87183 ?        ?        74.74595 12.43371 0.000000       12.43371 
1 1 1 14  5   7  o 152.5308 8.829607 560.7440       64.11314 0.000000       0.000000 560.7440       64.11314 ?        ?        152.5308 8.829607 0.000000       8.829607 
1 1 1 14  5   8  o 168.8480 8.395729 686.2740       67.56136 0.000000       0.000000 686.2740       67.56136 ?        ?        168.8480 8.395729 0.000000       8.395729 
1 1 1 14  5   9  o 305.3939 8.727681 2242.461       127.2981 0.000000       0.000000 2242.461       127.2981 ?        ?        305.3939 8.727681 0.000000       8.727681 
1 1 1 14  5   10 f 177.1371 8.592211 755.5499       72.54799 0.000000       0.000000 755.5499       72.54799 ?        ?        177.1371 8.592211 0.000000       8.592211 
1 1 1 14  5   11 o 284.1875 11.77869 1952.467       159.6864 1992.254       235.1653 1918.425       217.5260 285.2325 17.32683 280.2619 16.30490 4.970612       23.79220 
1 1 1 14  5   12 o 151.0819 11.82650 554.3562       84.74310 515.6512       105.9078 623.2412       141.2885 144.8402 15.53687 158.3814 19.04065 -13.54117      24.57521 
1 1 1 14  5   13 f 341.9288 10.07953 2818.032       164.5926 2720.621       188.9960 3123.860       334.8796 335.4480 11.80310 355.9317 19.75700 -20.48370      23.01418 
1 1 1 14  5   14 o 288.8106 10.49423 2013.016       144.6603 2130.074       172.8568 1739.403       264.2743 296.6049 12.21604 264.6142 21.06347 31.99069       24.34957 
1 1 1 14  5   15 o 207.0284 12.00918 1039.339       118.3541 972.3613       150.6028 1147.508       191.3899 199.1360 15.95217 215.4353 18.76925 -16.29924      24.63242 
1 1 1 14  5   16 o 317.1608 13.10045 2441.412       198.2158 2450.775       285.2707 2432.671       275.6174 315.1591 19.02152 314.2913 18.42360 0.8677673      26.48108 
1 1 1 14  5   17 o 249.2884 15.38392 1520.185       182.4553 1526.598       224.5316 1507.716       313.0581 248.3194 19.05859 242.3752 27.50207 5.944229       33.46033 
1 1 1 14  5   18 o 156.8828 20.11464 617.7320       147.4008 611.4057       157.9201 660.5283       410.7392 155.4164 21.85662 149.5479 49.42487 5.868561       54.04192 
1 1 1 14  5   19 o 265.1826 15.12958 1720.957       191.0180 1629.475       242.1467 1871.675       310.8092 255.8318 19.95550 271.8365 24.16705 -16.00476      31.34115 
1 1 1 14  5   20 o 91.90089 32.87886 204.0388       182.9476 263.9581       206.2206 -17.38774      396.4272 101.3921 35.01620 95.26506 42.57339 6.127060       55.12375 
1 1 1 14  5   21 o 252.2956 17.12710 1573.790       205.3618 1759.012       240.2709 1071.660       395.6060 265.7728 19.03565 190.6516 44.25605 75.12123       48.17628 
1 1 1 14  5   22 o 168.1968 20.04128 713.9063       157.9917 677.4707       174.5337 879.2471       371.7978 162.4101 23.13107 170.9472 44.91632 -8.537079      50.52249 
1 1 1 14  5   23 o 206.1336 21.34302 1076.543       207.2962 1427.144       338.9880 867.1230       261.9914 230.4824 31.59432 178.8128 31.81248 51.66957       44.83564 
1 1 1 14  5   24 o 178.3050 24.45603 823.2401       202.9897 699.2370       351.7539 885.1543       248.5522 151.2335 45.18871 181.9316 29.59201 -30.69815      54.01580 
1 1 1 14  5   25 o 92.51438 35.03486 201.6946       212.7214 -128.1303      355.5226 385.6188       265.4881 83.20084 38.38398 116.3747 39.74656 -33.17387      55.25504 
1 1 1 14  5   26 o 145.7449 31.84808 594.7572       215.6988 649.0848       242.3219 387.4701       473.3349 150.6611 34.40052 119.7122 49.87659 30.94881       60.58936 
1 1 1 14  5   27 o 104.7304 34.89512 313.8459       204.6356 281.7187       227.0029 453.1943       472.7658 100.8925 36.55627 121.6506 50.18906 -20.75813      62.09108 
1 1 1 14  5   28 o 135.2942 42.47582 595.5710       305.9483 664.4641       395.9353 493.4707       482.0031 137.2057 48.44181 122.1636 50.56517 15.04210       70.02461 
1 1 1 14  5   29 o 178.8506 24.68815 858.2726       205.4750 848.5912       271.2718 871.3032       314.7149 169.3367 34.67569 166.0520 40.09940 3.284653       53.01288 
1 1 1 14  5   30 o 68.52314 30.59495 1.496080       204.2446 167.9719       296.5804 -148.6784      281.6857 89.90636 38.55437 69.35706 32.70065 20.54929       50.55465 
1 1 1 14  5   31 o 148.4996 30.09845 656.5542       206.3608 594.7070       280.0984 729.9785       305.1899 129.0081 40.66100 142.0558 42.00437 -13.04762      58.46096 
1 1 1 14  5   32 o 135.7554 44.98939 757.3434       340.2580 884.4100       469.6601 616.9762       493.6292 131.1617 51.41909 112.4825 48.98534 18.67922       71.01751 
1 1 1 14  5   33 o 110.7321 35.20934 432.1333       209.6145 494.3508       290.5290 364.5820       302.7263 109.9993 41.09574 97.40341 40.17116 12.59589       57.46809 
1 1 1 14  5   34 o 70.46477 30.45268 113.9195       187.8051 109.0700       325.3381 116.3431       229.9956 77.31497 36.02833 73.20256 32.58932 4.112411       48.58091 
1 1 1 14  6   0  o 319.8277 7.812016 2454.682       119.4504 0.000000       0.000000 2454.682       119.4504 ?        ?        319.8277 7.812016 0.000000       7.812016 
1 1 1 14  6   1  o 419.2022 9.454307 4224.138       189.4792 0.000000       0.000000 4224.138       189.4792 ?        ?        419.2022 9.454307 0.000000       9.454307 
1 1 1 14  6   2  o 86.13502 13.79075 183.7358       54.87534 0.000000       0.000000 183.7358       54.87534 ?        ?        86.13502 13.79075 0.000000       13.79075 
1 1 1 14  6   3  o 225.5594 8.512902 1223.228       91.63615 0.000000       0.000000 1223.228       91.63615 ?        ?        225.5594 8.512902 0.000000       8.512902 
1 1 1 14  6   4  o 400.1332 7.612153 3840.575       145.6198 0.000000       0.000000 3840.575       145.6198 ?        ?        400.1332 7.612153 0.000000       7.612153 
1 1 1 14  6   5  o 330.1481 8.947487 2619.935       141.0970 0.000000       0.000000 2619.935       141.0970 ?        ?        330.1481 8.947487 0.000000       8.947487 
1 1 1 14  6   6  o 218.8602 8.412286 1151.577       87.85769 0.000000       0.000000 1151.577       87.85769 ?        ?        218.8602 8.412286 0.000000       8.412286 
1 1 1 14  6   7  o 44.45509 12.89795 48.68603       29.01217 0.000000       0.000000 48.68603       29.01217 ?        ?        44.45509 12.89795 0.000000       12.89795 
1 1 1 14  6   8  o 269.8378 8.213951 1749.419       105.8418 0.000000       0.000000 1749.419       105.8418 ?        ?        269.8378 8.213951 0.000000       8.213951 
1 1 1 14  6   9  o 289.9329 8.261900 2019.744       114.4044 0.000000       0.000000 2019.744       114.4044 ?        ?        289.9329 8.261900 0.000000       8.261900 
1 1 1 14  6   10 o 41.16636 13.47561 39.41693       30.56106 0.000000       0.000000 39.41693       30.56106 ?        ?        41.16636 13.47561 0.000000       13.47561 
1 1 1 14  6   11 o 253.8483 7.062562 1546.720       85.62935 1660.847       146.6413 1487.669       105.4810 262.1241 11.73121 248.6525 8.887346 13.47162       14.71755 
1 1 1 14  6   12 o 76.72031 22.11517 148.9663       85.55010 216.6661       95.15897 -136.3829      195.3639 91.90951 21.95757 61.32809 28.35013 30.58142       35.85896 
1 1 1 14  6   13 o 261.9036 10.66931 1655.730       133.3141 1672.484       160.7136 1618.769       238.7057 262.6611 12.83707 256.0189 19.65241 6.642212       23.47355 
1 1 1 14  6   14 o 311.8335 13.78243 2361.352       204.9665 2384.999       276.3963 2332.459       305.5194 311.3907 18.65148 306.8050 20.95478 4.585754       28.05317 
1 1 1 14  6   15 o 129.6748 24.57395 432.3818       146.7739 355.6710       185.4389 561.0349       240.1501 115.6156 32.30617 143.9760 35.19043 -28.36044      47.77085 
1 1 1 14  6   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  6   17 o 300.4540 15.57044 2205.729       222.8965 2287.760       287.1228 2081.312       353.6072 303.9622 19.86673 286.2897 26.12239 17.67252       32.81868 
1 1 1 14  6   18 o 178.8949 16.23866 788.0902       137.3738 546.8902       175.7381 1167.020       220.2706 145.1783 26.28709 215.7514 21.64689 -70.57307      34.05288 
1 1 1 14  6   19 o 137.7200 21.27979 481.0294       135.5997 454.1566       154.1408 573.0074       285.1695 132.2577 25.29897 142.4735 40.15255 -10.21574      47.45804 
1 1 1 14  6   20 o 189.4677 21.04700 903.0499       187.4355 779.2148       245.3035 1076.783       290.5515 170.9394 31.16390 201.5857 31.15093 -30.64633      44.06324 
1 1 1 14  6   21 o 85.60371 27.13165 187.9466       124.5538 229.0638       130.0723 -266.0023      432.1922 93.31700 27.37715 87.13838 40.90304 6.178619       49.21958 
1 1 1 14  6   22 o 195.7898 17.01328 950.5630       157.6731 1005.593       190.2249 829.7562       281.8460 199.9954 20.17004 173.1079 35.25454 26.88753       40.61666 
1 1 1 14  6   23 o 120.1996 30.84372 394.9850       178.1137 282.1545       244.5601 522.4362       259.9228 104.5860 37.93670 134.8256 38.44846 -30.23957      54.01368 
1 1 1 14  6   24 o 198.6116 22.70171 1007.861       211.6940 988.9268       307.9830 1024.818       291.4607 188.5299 35.47093 194.0925 32.56170 -5.562668      48.15030 
1 1 1 14  6   25 o 68.11106 30.08455 -17.64900      192.2114 -477.9687      347.7117 184.9114       230.6571 68.31823 33.25238 92.28955 36.07714 -23.97132      49.06405 
1 1 1 14  6   26 o 130.5982 28.29366 463.6547       171.5424 349.1507       234.2123 596.1623       251.9532 111.0143 37.33715 143.3032 36.63783 -32.28897      52.31055 
1 1 1 14  6   27 f 135.3517 28.47939 504.1141       178.4445 413.2650       245.8907 605.1931       259.3654 117.6777 38.20394 142.1732 37.59089 -24.49551      53.59679 
1 1 1 14  6   28 o 132.8095 29.96850 496.8739       185.7480 459.4588       257.2241 537.6454       268.5140 122.0859 39.02396 131.3963 39.53244 -9.310463      55.54892 
1 1 1 14  6   29 o 55.47199 27.15363 -367.2725      241.5241 -214.7930      405.3885 -451.1803      300.7232 81.07617 38.52092 61.03662 29.96401 20.03955       48.80270 
1 1 1 14  6   30 o 172.8061 26.86276 824.5800       214.7248 984.3182       276.3785 581.3362       341.0520 183.4688 32.70861 128.2421 44.98544 55.22678       55.61963 
1 1 1 14  6   31 o 83.97894 35.86402 148.2229       254.7073 15.22087       433.5390 218.3284       314.7569 87.91389 41.17082 92.54378 39.70242 -4.629883      57.19544 
1 1 1 14  6   32 o 95.82321 34.94159 300.1845       207.8472 198.9321       272.6171 440.7437       321.2035 86.72848 37.07258 107.0876 42.35639 -20.35908      56.28890 
1 1 1 14  6   33 o 259.1368 24.72283 1908.953       302.5840 2226.662       360.0970 1145.731       558.1235 274.3063 27.84377 135.2462 55.01779 139.0601       61.66225 
1 1 1 14  6   34 o 101.7057 41.88159 476.2310       328.3904 -265.7492      540.1042 911.3989       413.6278 76.18781 37.89307 127.9146 48.75679 -51.72680      61.75038 
1 1 1 14  6   35 o 75.78307 31.94613 182.1242       197.6913 526.8021       336.2227 -0.5944475E-03 244.4020 99.77549 41.83645 65.43025 30.72760 34.34524       51.90833 
1 1 1 14  7   0  o 278.0182 8.523979 1857.784       113.1646 0.000000       0.000000 1857.784       113.1646 ?        ?        278.0182 8.523979 0.000000       8.523979 
1 1 1 14  7   1  o 116.7862 12.53668 332.8246       68.90304 0.000000       0.000000 332.8246       68.90304 ?        ?        116.7862 12.53668 0.000000       12.53668 
1 1 1 14  7   2  o 363.4608 7.818881 3169.450       135.8659 0.000000       0.000000 3169.450       135.8659 ?        ?        363.4608 7.818881 0.000000       7.818881 
1 1 1 14  7   3  o 411.3001 15.04279 4103.314       295.3000 0.000000       0.000000 4103.314       295.3000 ?        ?        411.3001 15.04279 0.000000       15.04279 
1 1 1 14  7   4  o 629.3137 8.131964 9503.817       244.6645 0.000000       0.000000 9503.817       244.6645 ?        ?        629.3137 8.131964 0.000000       8.131964 
1 1 1 14  7   5  o 158.8228 9.738195 608.5735       73.58797 0.000000       0.000000 608.5735       73.58797 ?        ?        158.8228 9.738195 0.000000       9.738195 
1 1 1 14  7   6  o 496.6369 9.710375 5928.774       230.5597 0.000000       0.000000 5928.774       230.5597 ?        ?        496.6369 9.710375 0.000000       9.710375 
1 1 1 14  7   7  o 208.1126 8.960415 1042.173       88.94387 0.000000       0.000000 1042.173       88.94387 ?        ?        208.1126 8.960415 0.000000       8.960415 
1 1 1 14  7   8  o 203.5293 10.93753 1000.213       106.0367 0.000000       0.000000 1000.213       106.0367 ?        ?        203.5293 10.93753 0.000000       10.93753 
1 1 1 14  7   9  o 76.73796 14.23525 146.9407       50.30319 0.000000       0.000000 146.9407       50.30319 ?        ?        76.73796 14.23525 0.000000       14.23525 
1 1 1 14  7   10 o 72.50229 15.29719 132.1886       51.35413 0.000000       0.000000 132.1886       51.35413 ?        ?        72.50229 15.29719 0.000000       15.29719 
1 1 1 14  7   11 o 91.59059 11.82256 205.6238       50.56274 309.9615       107.8044 176.1982       57.25038 110.5437 21.16893 84.06879 14.78355 26.47486       25.82008 
1 1 1 14  7   12 o 273.6589 10.68047 1806.745       139.4677 1824.589       168.8152 1768.382       247.5281 274.4340 12.90277 267.9093 19.45802 6.524689       23.34729 
1 1 1 14  7   13 o 46.17891 19.56583 5.381149       74.77735 0.1130848E-03  78.00107 66.47356       262.8217 46.30476 19.81260 87.50189 36.85746 -41.19714      41.84510 
1 1 1 14  7   14 o 99.29572 27.68382 256.4636       136.3343 181.5197       154.1105 526.2653       292.4060 87.38548 30.26601 138.1951 41.17852 -50.80964      51.10482 
1 1 1 14  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  7   16 o 201.7378 20.45755 1013.273       194.5851 1020.664       224.1517 990.6719       391.9943 201.1096 23.77215 186.7396 44.53485 14.36996       50.48235 
1 1 1 14  7   17 o 165.6413 26.86711 707.7978       205.4811 684.2693       230.8525 797.5353       450.8423 160.8950 31.13692 163.5200 51.59274 -2.625000      60.26042 
1 1 1 14  7   18 o 153.1789 20.37124 589.2263       145.4898 724.7394       168.6146 194.3182       287.8407 169.7983 21.23371 100.5875 39.99650 69.21079       45.28344 
1 1 1 14  7   19 f 74.09911 26.70488 122.1832       120.9380 220.1073       146.7209 -85.35700      213.5984 92.59106 29.45919 67.60473 30.63780 24.98633       42.50317 
1 1 1 14  7   20 o 230.0872 19.11919 1315.730       208.4166 1310.615       254.5348 1326.134       363.0578 227.3181 23.77201 221.3010 35.51612 6.017166       42.73761 
1 1 1 14  7   21 o 57.04591 24.85290 -9.581950      127.1703 -156.9734      141.6277 603.7950       288.9189 48.09380 22.82669 145.1840 40.23439 -97.09016      46.25866 
1 1 1 14  7   22 o 67.08398 27.08967 64.46021       134.1744 49.26146       151.5254 119.6567       288.7601 68.15922 28.29392 92.68079 38.81033 -24.52157      48.02903 
1 1 1 14  7   23 o 51.24786 25.04346 -341.3641      202.8807 -374.1097      224.6160 -196.3084      472.7504 53.85587 26.32497 93.20386 43.43172 -39.34799      50.78699 
1 1 1 14  7   24 o 94.38139 32.85318 227.8316       181.6921 380.1230       251.0143 60.22850       263.3308 116.4602 38.64320 84.62492 36.30998 31.83526       53.02557 
1 1 1 14  7   25 o 110.7188 33.33183 339.3372       190.8449 278.2423       263.9372 406.2780       276.2763 104.6187 39.15277 119.3642 40.55018 -14.74551      56.36716 
1 1 1 14  7   26 o 247.1217 20.69017 1547.667       242.2044 2012.069       347.6212 1109.516       337.6537 277.0879 26.56603 197.0294 37.20874 80.05850       45.71918 
1 1 1 14  7   27 o 284.7814 18.36369 2040.919       248.6902 2195.060       334.9040 1851.445       371.3086 289.9751 24.38311 260.2747 30.41231 29.70044       38.98006 
1 1 1 14  7   28 o 101.0108 35.74028 287.7191       215.6198 292.8271       247.8483 271.8201       437.2647 102.3902 38.01470 108.3782 46.64947 -5.987923      60.17716 
1 1 1 14  7   29 o 78.53648 36.02134 -56.22516      306.7978 85.68822       421.8845 -215.5064      446.9553 95.75158 43.25845 84.84476 40.35036 10.90681       59.15611 
1 1 1 14  7   30 o 92.79399 36.10931 229.1302       230.2228 123.1749       265.7848 547.5089       460.7242 85.40554 36.55841 122.5431 49.93594 -37.13756      61.88793 
1 1 1 14  7   31 o 59.08031 27.56992 -100.1217      191.5908 -14.88824      265.7977 -192.3002      276.4146 73.97218 33.77687 66.00906 31.48754 7.963120       46.17729 
1 1 1 14  7   32 o 295.3094 20.66598 2328.699       289.9290 2592.405       394.4039 2018.653       427.6547 299.2801 27.88571 248.5952 37.11786 50.68491       46.42573 
1 1 1 14  7   33 o 78.51682 35.31320 97.16912       277.5403 428.7346       479.1326 -70.26317      340.4793 101.3396 45.91036 74.44421 35.35052 26.89536       57.94326 
1 1 1 14  7   34 o 149.8436 35.12705 779.5992       247.2416 1098.642       343.2343 435.5245       356.4447 164.7239 43.09629 98.73307 42.30167 65.99079       60.38809 
1 1 1 14  7   35 o 97.94021 39.71240 449.7574       289.6855 436.5572       553.5560 454.7358       339.9515 89.47868 43.16832 95.19447 41.05486 -5.715797      59.57353 
1 1 1 14  8   0  o 329.2004 7.550182 2599.794       118.8300 2666.215       166.8701 2531.458       169.2574 332.6666 10.50523 324.0348 10.94136 8.631805       15.16816 
1 1 1 14  8   1  o 408.7317 8.080733 4009.424       157.9055 0.000000       0.000000 4009.424       157.9055 ?        ?        408.7317 8.080733 0.000000       8.080733 
1 1 1 14  8   2  o 295.7937 9.339668 2104.475       131.9119 0.000000       0.000000 2104.475       131.9119 ?        ?        295.7937 9.339668 0.000000       9.339668 
1 1 1 14  8   3  o 240.0031 9.202991 1385.823       105.4020 0.000000       0.000000 1385.823       105.4020 ?        ?        240.0031 9.202991 0.000000       9.202991 
1 1 1 14  8   4  o 288.6512 9.256763 2003.743       127.5789 0.000000       0.000000 2003.743       127.5789 ?        ?        288.6512 9.256763 0.000000       9.256763 
1 1 1 14  8   5  o 311.9689 9.190840 2339.991       136.9308 0.000000       0.000000 2339.991       136.9308 ?        ?        311.9689 9.190840 0.000000       9.190840 
1 1 1 14  8   6  o 339.4881 9.211950 2770.787       149.3767 0.000000       0.000000 2770.787       149.3767 ?        ?        339.4881 9.211950 0.000000       9.211950 
1 1 1 14  8   7  o 72.53638 12.31498 130.3338       41.18129 0.000000       0.000000 130.3338       41.18129 ?        ?        72.53638 12.31498 0.000000       12.31498 
1 1 1 14  8   8  o 220.5787 11.09630 1174.601       116.6415 0.000000       0.000000 1174.601       116.6415 ?        ?        220.5787 11.09630 0.000000       11.09630 
1 1 1 14  8   9  o 270.5159 11.75008 1767.424       151.6021 0.000000       0.000000 1767.424       151.6021 ?        ?        270.5159 11.75008 0.000000       11.75008 
1 1 1 14  8   10 o 166.2412 10.87159 668.3458       85.93111 0.000000       0.000000 668.3458       85.93111 ?        ?        166.2412 10.87159 0.000000       10.87159 
1 1 1 14  8   11 o 280.4969 9.682591 1894.491       129.6511 0.000000       0.000000 1894.491       129.6511 ?        ?        280.4969 9.682591 0.000000       9.682591 
1 1 1 14  8   12 o 81.18231 16.51477 166.0063       61.91339 0.000000       0.000000 166.0063       61.91339 ?        ?        81.18231 16.51477 0.000000       16.51477 
1 1 1 14  8   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  8   14 o 263.6881 12.70110 1685.149       159.6471 1556.771       199.2031 1915.656       266.9283 252.1890 16.61451 278.3645 20.19463 -26.17549      26.15081 
1 1 1 14  8   15 o 238.0862 13.77563 1378.425       156.1334 1329.896       198.5008 1457.163       252.8433 232.4526 18.00176 241.6579 22.13021 -9.205246      28.52735 
1 1 1 14  8   16 o 92.99673 28.58749 221.7674       139.3998 -20.87041      195.2039 474.2815       199.1370 69.71584 30.57216 133.4097 31.69368 -63.69386      44.03574 
1 1 1 14  8   17 f 278.9899 14.64198 1896.955       194.6139 1846.795       252.8156 1969.908       304.8932 273.2655 19.47905 280.4926 22.93631 -7.227142      30.09165 
1 1 1 14  8   18 o 229.3836 18.23734 1299.754       198.3558 1125.006       254.1034 1572.336       317.3602 209.9001 25.86814 247.7701 27.24019 -37.87004      37.56579 
1 1 1 14  8   19 o 59.31966 25.81968 -10.03401      136.9893 -6.418546      142.9913 -50.40900      477.8418 60.93970 26.45338 102.3951 46.16925 -41.45544      53.21073 
1 1 1 14  8   20 o 206.4207 21.27499 1069.903       206.9534 1091.642       270.3977 1039.160       321.5589 204.8695 28.36715 195.3842 35.74077 9.485306       45.63001 
1 1 1 14  8   21 o 64.09945 26.59731 40.01485       133.8178 65.56292       143.1608 -136.7735      376.5928 68.90159 27.92488 86.88488 39.87207 -17.98329      48.67834 
1 1 1 14  8   22 o 244.7453 17.22122 1482.156       200.2190 1371.358       279.0477 1599.722       287.4438 230.6436 25.74480 250.2115 24.33618 -19.56784      35.42661 
1 1 1 14  8   23 o 107.2245 36.99160 307.6017       230.1218 255.0769       267.5195 457.0595       451.2657 103.0042 39.22317 128.5642 50.40173 -25.56004      63.86541 
1 1 1 14  8   24 o 203.1018 22.71206 1053.224       216.7642 982.6782       278.5354 1161.564       345.1761 190.6462 31.67006 203.6993 36.79794 -13.05315      48.54978 
1 1 1 14  8   25 o 104.4799 38.99645 277.5583       261.4801 277.5583       261.4801 0.000000       0.000000 104.4799 38.99645 ?        ?        0.000000       38.99645 
1 1 1 14  8   26 o 92.94345 34.72097 210.0449       207.3780 144.4915       272.7235 299.9062       319.3088 91.72955 38.00789 108.7106 42.46182 -16.98103      56.98777 
1 1 1 14  8   27 o 103.6908 38.01737 295.1931       246.5556 300.6934       285.7287 279.1577       487.8686 105.6416 40.46036 112.8854 48.93336 -7.243767      63.49421 
1 1 1 14  8   28 o 91.88968 31.88339 228.4040       171.0560 274.7853       181.8548 -127.7009      503.8976 98.89130 32.89408 93.76762 44.06248 5.123680       54.98656 
1 1 1 14  8   29 o 96.21385 33.87434 260.1058       193.5064 363.8808       250.2407 105.7572       305.1846 109.6506 38.52824 88.43481 38.51458 21.21584       54.47750 
1 1 1 14  8   30 o 81.66501 34.75862 106.2533       237.8301 557.0789       438.0268 -82.21167      283.2120 123.8712 49.31189 73.80148 34.12253 50.06973       59.96674 
1 1 1 14  8   31 o 86.32912 33.44887 200.3870       196.8926 -2.412154      268.9992 434.4134       288.9684 75.28007 34.22107 112.5848 41.17702 -37.30472      53.54091 
1 1 1 14  8   32 o 63.85737 30.24776 -133.2738      246.2794 -458.0801      464.4249 -6.203120      290.4865 73.44178 36.27998 75.12428 34.67153 -1.682495      50.18318 
1 1 1 14  8   33 o 83.62201 34.66335 196.9066       226.9727 521.4108       326.7226 -105.7740      315.5450 112.0582 43.17614 71.08778 33.83500 40.97045       54.85423 
1 1 1 14  8   34 o 138.9654 49.06956 985.5906       406.2739 1287.989       582.5508 699.2374       566.8856 133.0830 55.38061 105.8462 48.70017 27.23685       73.74767 
1 1 1 14  8   35 o 102.7473 41.33423 520.0403       311.0897 535.5907       364.6001 478.4179       596.4984 99.76508 42.76413 90.77441 44.03699 8.990677       61.38425 
1 1 1 14  9   0  o 162.7795 8.612978 638.1125       66.79022 708.7040       105.8074 591.3511       86.11594 170.7872 13.05744 156.2011 11.61476 14.58606       17.47568 
1 1 1 14  9   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  9   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  9   3  o 275.5099 11.72760 1832.682       154.1205 0.000000       0.000000 1832.682       154.1205 ?        ?        275.5099 11.72760 0.000000       11.72760 
1 1 1 14  9   4  f 163.0860 11.92381 644.4954       92.32697 0.000000       0.000000 644.4954       92.32697 ?        ?        163.0860 11.92381 0.000000       11.92381 
1 1 1 14  9   5  o 237.1326 9.568233 1353.663       108.2527 0.000000       0.000000 1353.663       108.2527 ?        ?        237.1326 9.568233 0.000000       9.568233 
1 1 1 14  9   6  o 164.3350 11.21442 653.3550       87.57999 0.000000       0.000000 653.3550       87.57999 ?        ?        164.3350 11.21442 0.000000       11.21442 
1 1 1 14  9   7  o 47.02770 16.25189 48.76068       44.42521 0.000000       0.000000 48.76068       44.42521 ?        ?        47.02770 16.25189 0.000000       16.25189 
1 1 1 14  9   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  9   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  9   10 o 322.4767 20.07446 2559.009       307.9580 0.000000       0.000000 2559.009       307.9580 ?        ?        322.4767 20.07446 0.000000       20.07446 
1 1 1 14  9   11 o 209.4431 10.45848 1058.726       104.3919 0.000000       0.000000 1058.726       104.3919 ?        ?        209.4431 10.45848 0.000000       10.45848 
1 1 1 14  9   12 o 358.5902 10.03303 3097.192       171.8351 3343.153       242.4380 2848.890       243.5892 371.3760 13.67795 342.3322 14.91921 29.04376       20.24029 
1 1 1 14  9   13 o 115.4573 27.56797 348.0518       150.0651 235.9815       173.0689 687.5753       301.2371 97.11446 32.08224 158.1217 39.86465 -61.00724      51.17089 
1 1 1 14  9   14 f 400.5654 16.81059 3919.977       321.2168 4146.284       434.0313 3645.920       477.6304 408.6824 22.29848 380.3103 26.43363 28.37210       34.58264 
1 1 1 14  9   15 o 224.3152 14.89695 1227.656       158.8535 1318.002       192.7575 1036.411       280.4474 231.5702 17.54133 199.7499 30.31793 31.82030       35.02677 
1 1 1 14  9   16 o 238.3702 14.06000 1383.267       159.5191 1329.316       201.5989 1473.611       260.8791 232.2052 18.30767 242.6080 22.75756 -10.40280      29.20749 
1 1 1 14  9   17 o 261.9767 15.20920 1675.889       189.6732 1892.760       247.7890 1369.002       294.7615 276.9502 18.82614 231.3565 27.16595 45.59369       33.05167 
1 1 1 14  9   18 o 209.7348 20.79536 1098.626       205.7761 938.9353       247.6897 1454.398       369.7029 190.4493 28.04169 233.9381 34.05444 -43.48878      44.11396 
1 1 1 14  9   19 o 295.6267 16.47426 2144.308       231.9193 2141.381       284.0993 2150.155       401.5338 293.4437 20.37714 288.0409 29.57791 5.402832       35.91769 
1 1 1 14  9   20 o 281.6348 16.28545 1947.810       218.3425 1792.730       270.4469 2238.102       370.0173 267.6317 21.31257 295.7557 26.44743 -28.12402      33.96605 
1 1 1 14  9   21 o 145.6495 25.19322 550.7262       169.0824 563.0500       179.1499 450.2300       511.5874 146.7145 26.51655 131.8751 53.02222 14.83939       59.28308 
1 1 1 14  9   22 o 197.5509 23.38251 996.6143       216.5641 1101.955       281.4171 843.6370       339.1294 204.0697 29.71676 170.1246 41.96110 33.94511       51.41809 
1 1 1 14  9   23 o 194.4425 25.40216 979.3530       230.4996 677.5083       278.7096 1632.620       410.0202 154.0040 38.07251 242.9373 36.42365 -88.93333      52.68964 
1 1 1 14  9   24 o 225.7145 16.79988 1262.384       179.9901 1353.456       232.2707 1125.493       284.7651 231.3804 21.23365 205.5309 29.85256 25.84952       36.63391 
1 1 1 14  9   25 o 117.2841 26.50190 367.4640       145.0896 442.2518       183.0784 241.1788       237.9018 127.0868 30.51748 99.12236 37.15597 27.96445       48.08204 
1 1 1 14  9   26 o 132.8369 26.83093 472.6648       164.5236 456.0745       172.0466 650.0203       562.5256 129.5748 28.54477 140.3154 55.87422 -10.74060      62.74339 
1 1 1 14  9   27 o 172.0206 27.99651 800.4729       222.3357 661.2986       289.5207 1000.531       347.1193 147.1747 40.07545 181.4125 40.99144 -34.23782      57.32660 
1 1 1 14  9   28 o 127.8900 35.83342 487.3291       227.8121 338.4690       298.5754 694.7337       352.4308 108.5349 41.41127 144.3875 45.62330 -35.85266      61.61477 
1 1 1 14  9   29 o 118.1518 29.61097 397.0365       166.9139 373.5070       196.8459 457.2437       314.8794 112.3483 33.85835 119.0592 43.06614 -6.710892      54.78212 
1 1 1 14  9   30 o 168.3163 23.63389 757.4196       184.9499 775.5334       219.3155 712.8199       344.1348 166.4910 28.58219 142.9977 45.06991 23.49330       53.36889 
1 1 1 14  9   31 o 110.9473 38.87165 408.5945       254.5993 671.8576       386.3535 206.5190       338.4906 130.4723 47.62936 93.78568 40.70609 36.68665       62.65414 
1 1 1 14  9   32 o 73.52925 32.91244 46.30341       237.9389 2.430074       265.6137 224.5417       535.3659 73.32711 33.58892 97.20591 45.59552 -23.87880      56.63186 
1 1 1 14  9   33 o 100.7097 43.35138 399.8428       377.6660 491.1946       533.5822 308.1353       534.6200 103.8822 47.59342 96.79442 45.45360 7.087738       65.81157 
1 1 1 14  9   34 o 117.1920 41.57487 584.6067       291.9290 578.9633       345.2024 598.7763       546.9926 110.9356 43.90019 102.4418 47.38462 8.493820       64.59512 
1 1 1 14  9   35 f 59.90947 28.74537 -109.1547      237.7618 -56.06357      343.5601 -157.9538      329.3800 70.10168 33.86642 65.72629 32.07328 4.375389       46.64365 
1 1 1 14  10  0  o 62.34747 16.43959 97.91936       49.69270 101.7799       84.63977 95.88866       61.38626 66.26736 22.44512 62.38279 18.93073 3.884575       29.36249 
1 1 1 14  10  1  o 322.4360 9.784492 2502.506       150.6563 0.000000       0.000000 2502.506       150.6563 ?        ?        322.4360 9.784492 0.000000       9.784492 
1 1 1 14  10  2  o 100.2874 14.73936 248.6363       68.56297 0.000000       0.000000 248.6363       68.56297 ?        ?        100.2874 14.73936 0.000000       14.73936 
1 1 1 14  10  3  o 290.9385 9.880712 2037.887       137.2357 0.000000       0.000000 2037.887       137.2357 ?        ?        290.9385 9.880712 0.000000       9.880712 
1 1 1 14  10  4  o 68.72250 16.19696 119.2203       52.33920 0.000000       0.000000 119.2203       52.33920 ?        ?        68.72250 16.19696 0.000000       16.19696 
1 1 1 14  10  5  o 560.6955 10.18103 7562.806       272.9149 0.000000       0.000000 7562.806       272.9149 ?        ?        560.6955 10.18103 0.000000       10.18103 
1 1 1 14  10  6  o 186.5695 10.12134 839.7230       89.94104 0.000000       0.000000 839.7230       89.94104 ?        ?        186.5695 10.12134 0.000000       10.12134 
1 1 1 14  10  7  o 362.3500 14.65438 3185.381       253.3419 0.000000       0.000000 3185.381       253.3419 ?        ?        362.3500 14.65438 0.000000       14.65438 
1 1 1 14  10  8  o 254.1716 9.834137 1555.973       119.2756 0.000000       0.000000 1555.973       119.2756 ?        ?        254.1716 9.834137 0.000000       9.834137 
1 1 1 14  10  9  o 233.9751 13.09115 1326.983       145.8546 0.000000       0.000000 1326.983       145.8546 ?        ?        233.9751 13.09115 0.000000       13.09115 
1 1 1 14  10  10 o 390.5021 9.800141 3670.451       182.8188 0.000000       0.000000 3670.451       182.8188 ?        ?        390.5021 9.800141 0.000000       9.800141 
1 1 1 14  10  11 o 456.4318 9.035999 5007.338       197.1789 0.000000       0.000000 5007.338       197.1789 ?        ?        456.4318 9.035999 0.000000       9.035999 
1 1 1 14  10  12 o 172.2098 10.95109 717.5945       89.69498 878.2083       190.9901 672.1469       101.5956 187.5232 21.70353 166.2533 12.88237 21.26982       25.23883 
1 1 1 14  10  13 o 199.2330 10.53288 958.9029       99.97034 1388.760       205.8493 826.2273       114.3623 237.5951 18.26190 184.3596 13.05958 53.23550       22.45105 
1 1 1 14  10  14 o 152.5854 18.92639 578.9587       135.1086 572.6653       175.7141 588.0611       211.3203 149.4929 25.49948 149.5346 30.59130 -0.4173279E-01 39.82526 
1 1 1 14  10  15 o 236.2021 15.01617 1361.259       168.6929 1530.344       207.6315 1032.895       289.3466 249.6104 17.50999 198.7513 31.50010 50.85904       36.03964 
1 1 1 14  10  16 o 201.7091 17.00663 1000.708       162.4767 759.6245       199.9635 1469.129       278.7305 172.6734 24.94454 241.3455 24.49561 -68.67212      34.96091 
1 1 1 14  10  17 o 245.5746 14.48898 1470.683       169.3540 1496.445       214.8144 1428.377       275.2841 246.2596 18.37829 237.6756 24.58067 8.583984       30.69154 
1 1 1 14  10  18 o 177.8653 17.00729 781.0796       142.8629 727.7404       178.2381 876.9190       238.9183 169.6176 22.53686 183.8742 28.06610 -14.25662      35.99467 
1 1 1 14  10  19 o 111.2622 34.61687 331.2998       203.6866 219.3691       241.7681 605.0521       378.0969 98.87971 37.37178 144.2685 47.40828 -45.38879      60.36717 
1 1 1 14  10  20 o 130.8830 22.78566 439.7552       137.4013 368.8450       166.8000 589.4484       242.3497 117.3200 29.71167 146.3077 35.09802 -28.98766      45.98537 
1 1 1 14  10  21 o 184.1129 22.67219 861.9017       195.3558 979.8733       282.2501 753.4169       270.6635 191.2146 32.00497 165.2553 35.32899 25.95921       47.67027 
1 1 1 14  10  22 o 81.97282 35.02520 53.02932       243.1554 13.10465       273.3414 204.4331       532.2959 82.75144 36.23589 116.9808 50.90702 -34.22940      62.48652 
1 1 1 14  10  23 o 243.2361 17.92799 1470.815       207.0168 1457.241       248.9898 1501.208       372.5772 239.8384 21.95812 234.5594 34.23283 5.279053       40.66996 
1 1 1 14  10  24 o 57.39241 25.94209 -58.87448      151.9582 -79.75645      159.6321 142.7867       496.0729 57.28238 26.16366 110.3937 48.56267 -53.11128      55.16221 
1 1 1 14  10  25 o 149.9361 22.66039 579.8391       157.3727 490.3746       193.9846 752.0807       269.1604 133.6634 30.96438 163.4359 35.46802 -29.77243      47.08263 
1 1 1 14  10  26 o 60.66964 26.41851 -1.142079      143.5463 -1.702310      175.2882 -0.1425237E-02 250.1185 66.33749 29.03381 77.56838 34.28753 -11.23090      44.92879 
1 1 1 14  10  27 f 89.09483 32.23503 203.8588       176.4255 180.7474       187.6581 379.7599       517.7117 86.81433 32.89940 119.0923 51.00163 -32.27798      60.69215 
1 1 1 14  10  28 o 179.8404 34.30063 934.5323       284.1563 730.9785       320.4287 1684.012       614.8534 150.9305 42.57178 207.1617 59.15361 -56.23123      72.88009 
1 1 1 14  10  29 o 90.38490 35.61068 200.7507       226.2412 41.97561       294.5359 429.2512       353.3381 83.04751 36.93144 115.8789 44.83300 -32.83141      58.08553 
1 1 1 14  10  30 o 109.5256 31.62044 353.4951       174.7679 370.2880       196.6508 290.3876       381.2175 110.7895 33.93509 103.8876 44.10375 6.901909       55.64827 
1 1 1 14  10  31 f 101.0176 31.83819 310.2748       171.7329 439.9080       200.0198 -53.29078      334.9703 118.6395 33.69374 78.40682 36.54402 40.23273       49.70648 
1 1 1 14  10  32 o 83.20448 30.83796 201.2503       162.9698 -11.60229      198.4375 642.2766       285.6383 64.86041 29.44811 131.9905 40.98183 -67.13011      50.46485 
1 1 1 14  10  33 o 75.43730 30.51296 146.3677       170.5408 41.45644       208.6499 357.5183       296.0079 68.95189 30.84508 98.28812 40.03592 -29.33624      50.54002 
1 1 1 14  10  34 o 54.64642 25.71345 -82.30885      172.6186 -112.8124      211.0141 -20.60255      300.1244 58.17244 27.68244 71.28736 33.65430 -13.11492      43.57671 
1 1 1 14  10  35 o 70.21405 32.85011 47.31122       274.8970 -278.2870      474.2023 212.1136       337.3685 70.34155 35.06930 80.83099 37.32648 -10.48945      51.21642 
1 1 1 14  11  0  o 275.9988 9.499784 1833.739       125.1646 1770.348       220.4823 1863.882       152.0380 269.0345 17.23244 277.8184 11.47144 -8.783905      20.70147 
1 1 1 14  11  1  o 191.2144 8.339057 879.5812       76.05019 911.0752       106.9249 847.3383       108.1887 194.0527 11.57790 186.9985 12.16747 7.054169       16.79568 
1 1 1 14  11  2  o 384.4419 14.99185 3589.106       275.0180 0.000000       0.000000 3589.106       275.0180 ?        ?        384.4419 14.99185 0.000000       14.99185 
1 1 1 14  11  3  o 307.2394 13.57435 2287.287       198.8983 0.000000       0.000000 2287.287       198.8983 ?        ?        307.2394 13.57435 0.000000       13.57435 
1 1 1 14  11  4  o 300.9470 9.635973 2179.972       138.4630 0.000000       0.000000 2179.972       138.4630 ?        ?        300.9470 9.635973 0.000000       9.635973 
1 1 1 14  11  5  o 350.1388 19.74177 3012.005       329.1333 0.000000       0.000000 3012.005       329.1333 ?        ?        350.1388 19.74177 0.000000       19.74177 
1 1 1 14  11  6  o 166.3879 13.20988 673.2210       104.2203 0.000000       0.000000 673.2210       104.2203 ?        ?        166.3879 13.20988 0.000000       13.20988 
1 1 1 14  11  7  o 150.4306 14.35981 552.8815       102.0227 0.000000       0.000000 552.8815       102.0227 ?        ?        150.4306 14.35981 0.000000       14.35981 
1 1 1 14  11  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11  20 o 151.3065 35.82275 634.2372       255.0965 0.000000       0.000000 634.2372       255.0965 ?        ?        151.3065 35.82275 0.000000       35.82275 
1 1 1 14  11  21 o 227.0002 40.35964 1457.179       421.9567 0.000000       0.000000 1457.179       421.9567 ?        ?        227.0002 40.35964 0.000000       40.35964 
1 1 1 14  11  22 o 60.96373 26.32115 3.642132       140.0351 -22.55738      169.4043 60.17493       248.8444 64.05968 28.27144 83.18163 35.48402 -19.12195      45.36948 
1 1 1 14  11  23 o 167.6942 24.21545 726.9535       188.5252 696.1259       202.9268 921.3054       509.5236 162.5773 27.05850 166.0267 55.05503 -3.449463      61.34508 
1 1 1 14  11  24 o 251.3689 18.31193 1574.621       218.5572 1531.565       261.9625 1673.230       396.4398 245.3246 22.58862 247.1463 34.48978 -1.821671      41.22852 
1 1 1 14  11  25 o 90.25116 32.50959 201.9614       179.2007 198.5738       188.0070 235.6026       592.4606 90.40884 33.18967 119.1270 52.70882 -28.71812      62.28783 
1 1 1 14  11  26 o 186.7077 20.29519 887.7256       178.2492 1025.945       218.8991 615.6986       307.0898 198.8857 23.47312 141.4770 42.21025 57.40868       48.29796 
1 1 1 14  11  27 o 120.2604 28.66853 401.4715       162.4925 587.8774       198.9944 28.46355       281.4946 145.5963 29.59769 82.12994 36.33589 63.46635       46.86491 
1 1 1 14  11  28 o 127.7609 31.41036 468.2751       190.4876 413.0742       209.1312 737.1210       461.5276 117.9944 34.74020 140.9523 51.95753 -22.95788      62.50174 
1 1 1 14  11  29 o 91.82122 38.64502 173.3225       288.5555 221.2410       335.7270 37.83449       564.5275 98.32261 41.54881 101.2943 47.28760 -2.971703      62.94776 
1 1 1 14  11  30 f 98.18601 37.77504 279.0980       249.8309 420.2968       326.3176 79.11063       388.3526 112.5882 43.20896 91.02243 41.27478 21.56576       59.75468 
1 1 1 14  11  31 o 96.45570 31.84187 283.6620       170.4951 238.9324       188.0584 490.1327       404.0403 89.97187 33.16605 112.6166 46.42350 -22.64478      57.05373 
1 1 1 14  11  32 f 98.46114 38.15081 334.6264       256.1447 439.0193       322.5580 156.4169       421.4420 106.5156 42.34438 89.86449 41.57596 16.65115       59.34313 
1 1 1 14  11  33 o 114.0423 31.66529 422.3256       178.7668 579.6064       217.7227 96.90591       313.1755 131.3682 34.30156 80.09362 36.60691 51.27462       50.16635 
1 1 1 14  11  34 o 77.54597 33.80374 160.8914       235.5587 463.9706       352.8460 -82.79277      316.3886 99.32775 42.30879 69.15990 33.17743 30.16785       53.76593 
1 1 1 14  11  35 o 64.96330 28.85449 74.54261       179.2456 41.98661       214.6425 149.5648       325.8330 65.37425 30.03788 76.77112 35.86766 -11.39687      46.78422 
1 1 1 14  12  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12  1  o 175.0041 23.81001 771.5665       194.0505 0.000000       0.000000 771.5665       194.0505 ?        ?        175.0041 23.81001 0.000000       23.81001 
1 1 1 14  12  2  o 236.5232 10.69881 1350.016       120.6679 0.000000       0.000000 1350.016       120.6679 ?        ?        236.5232 10.69881 0.000000       10.69881 
1 1 1 14  12  3  o 158.9388 13.52497 615.3242       101.7967 0.000000       0.000000 615.3242       101.7967 ?        ?        158.9388 13.52497 0.000000       13.52497 
1 1 1 14  12  4  o 287.5986 9.961287 1992.371       136.7585 0.000000       0.000000 1992.371       136.7585 ?        ?        287.5986 9.961287 0.000000       9.961287 
1 1 1 14  12  5  o 88.37844 14.35225 193.8771       58.56362 0.000000       0.000000 193.8771       58.56362 ?        ?        88.37844 14.35225 0.000000       14.35225 
1 1 1 14  12  6  o 226.2008 11.79307 1237.578       127.0946 0.000000       0.000000 1237.578       127.0946 ?        ?        226.2008 11.79307 0.000000       11.79307 
1 1 1 14  12  7  o 251.1814 9.310575 1518.912       111.6144 0.000000       0.000000 1518.912       111.6144 ?        ?        251.1814 9.310575 0.000000       9.310575 
1 1 1 14  12  8  o 373.3540 9.319509 3351.548       166.3498 0.000000       0.000000 3351.548       166.3498 ?        ?        373.3540 9.319509 0.000000       9.319509 
1 1 1 14  12  9  o 317.4708 9.670130 2426.795       146.6013 0.000000       0.000000 2426.795       146.6013 ?        ?        317.4708 9.670130 0.000000       9.670130 
1 1 1 14  12  10 o 411.9821 9.841779 4084.435       193.8476 0.000000       0.000000 4084.435       193.8476 ?        ?        411.9821 9.841779 0.000000       9.841779 
1 1 1 14  12  11 o 331.7072 9.886384 2650.588       156.6087 0.000000       0.000000 2650.588       156.6087 ?        ?        331.7072 9.886384 0.000000       9.886384 
1 1 1 14  12  12 o 84.82169 18.95904 183.0454       74.94753 0.000000       0.000000 183.0454       74.94753 ?        ?        84.82169 18.95904 0.000000       18.95904 
1 1 1 14  12  13 o 319.3506 9.009546 2454.305       137.4184 2688.878       301.3149 2392.703       154.4117 330.4635 19.15375 314.9992 10.26698 15.46423       21.73194 
1 1 1 14  12  14 o 239.5857 9.370361 1383.316       107.1241 1438.283       214.7188 1365.101       123.6061 241.4370 18.74877 237.6601 10.90774 3.776840       21.69090 
1 1 1 14  12  15 o 216.0997 14.43166 1139.319       148.2458 1082.445       181.5424 1253.146       256.8285 209.3215 18.32542 222.6160 24.53773 -13.29443      30.62550 
1 1 1 14  12  16 o 353.8173 12.52466 3034.413       211.5280 3293.260       251.6210 2410.695       390.5890 367.8371 14.33558 307.7122 26.81779 60.12491       30.40893 
1 1 1 14  12  17 o 301.2473 16.19522 2223.233       232.3908 2170.834       274.6277 2355.375       436.1193 296.0563 19.51145 300.9476 30.74281 -4.891327      36.41177 
1 1 1 14  12  18 o 182.3705 17.93639 824.7498       154.3647 821.2308       163.9956 852.0977       457.1792 181.5125 19.18819 166.7160 51.86078 14.79655       55.29672 
1 1 1 14  12  19 o 179.0822 17.44892 795.1740       147.5004 885.3679       168.2735 496.0264       306.4571 188.4711 18.93120 132.1225 42.63049 56.34863       46.64492 
1 1 1 14  12  20 f 109.9165 30.75765 325.9735       167.9595 379.8370       230.0126 264.4433       245.8375 117.3830 36.82601 103.4074 37.95397 13.97566       52.88345 
1 1 1 14  12  21 o 117.2557 28.11133 368.1589       155.5427 324.3312       167.2663 648.3431       422.9177 109.4324 30.72002 145.2964 50.14688 -35.86404      58.80841 
1 1 1 14  12  22 o 55.22488 24.52953 -30.60193      129.5458 -60.78791      149.8048 58.91077       257.9677 56.85665 25.72318 84.09631 36.00780 -27.23967      44.25205 
1 1 1 14  12  23 o 77.98783 33.94894 17.79826       236.8848 -10.92149      278.9563 92.05750       448.5606 81.44524 36.09533 104.4594 46.05659 -23.01421      58.51566 
1 1 1 14  12  24 o 108.8810 35.05096 326.9477       207.2494 475.6234       300.5898 192.2283       286.1341 127.3686 42.28819 97.72923 39.52568 29.63939       57.88411 
1 1 1 14  12  25 o 68.43306 32.30423 -219.1980      276.4265 -177.4367      307.6284 -394.3031      629.9244 74.74022 34.89659 97.67571 46.84573 -22.93549      58.41485 
1 1 1 14  12  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12  32 o 42.53418 20.77680 -206.5199      139.2234 -184.7133      147.1646 -392.3735      429.6313 45.24917 21.93310 71.24076 35.13666 -25.99159      41.42036 
1 1 1 14  12  33 o 76.34560 33.90798 111.1328       247.4895 -16.41748      297.6774 396.6722       445.3876 72.46660 33.99382 97.40201 44.18123 -24.93541      55.74551 
1 1 1 14  12  34 o 62.39753 28.57148 10.63721       191.9416 -49.66570      199.8659 726.1953       688.4811 59.40075 27.86146 97.58279 47.33305 -38.18204      54.92430 
1 1 1 14  12  35 o 81.30835 36.87818 256.1927       310.2367 447.0465       365.9472 -231.4313      584.9390 91.09880 40.79371 73.53175 36.98403 17.56705       55.06310 
1 1 1 14  13  0  o 313.8682 8.539893 2368.508       128.0278 2033.614       257.8702 2478.062       147.4895 287.5830 18.85961 320.8025 9.627350 -33.21945      21.17477 
1 1 1 14  13  1  o 139.5585 9.157106 470.2153       60.75991 480.8749       90.13522 461.3372       82.25887 140.3172 13.60676 137.6131 12.64424 2.704041       18.57473 
1 1 1 14  13  2  o 377.0664 8.465345 3415.159       152.6057 0.000000       0.000000 3415.159       152.6057 ?        ?        377.0664 8.465345 0.000000       8.465345 
1 1 1 14  13  3  o 195.4066 10.39463 921.9172       96.75900 0.000000       0.000000 921.9172       96.75900 ?        ?        195.4066 10.39463 0.000000       10.39463 
1 1 1 14  13  4  o 32.07175 14.98156 -53.93403      56.80862 0.000000       0.000000 -53.93403      56.80862 ?        ?        32.07175 14.98156 0.000000       14.98156 
1 1 1 14  13  5  o 109.3292 14.27512 294.3306       72.83426 0.000000       0.000000 294.3306       72.83426 ?        ?        109.3292 14.27512 0.000000       14.27512 
1 1 1 14  13  6  o 101.0617 13.39783 251.2562       63.14038 0.000000       0.000000 251.2562       63.14038 ?        ?        101.0617 13.39783 0.000000       13.39783 
1 1 1 14  13  7  o 178.5942 11.96545 773.2569       101.5761 0.000000       0.000000 773.2569       101.5761 ?        ?        178.5942 11.96545 0.000000       11.96545 
1 1 1 14  13  8  o 206.1062 12.63290 1030.361       123.8827 0.000000       0.000000 1030.361       123.8827 ?        ?        206.1062 12.63290 0.000000       12.63290 
1 1 1 14  13  9  o 207.7744 11.85771 1045.386       117.2990 0.000000       0.000000 1045.386       117.2990 ?        ?        207.7744 11.85771 0.000000       11.85771 
1 1 1 14  13  10 o 147.3184 12.83892 528.6801       89.52366 0.000000       0.000000 528.6801       89.52366 ?        ?        147.3184 12.83892 0.000000       12.83892 
1 1 1 14  13  11 o 194.9800 12.66555 923.0739       117.4264 0.000000       0.000000 923.0739       117.4264 ?        ?        194.9800 12.66555 0.000000       12.66555 
1 1 1 14  13  12 o 27.20264 13.28881 -105.9691      56.98699 0.000000       0.000000 -105.9691      56.98699 ?        ?        27.20264 13.28881 0.000000       13.28881 
1 1 1 14  13  13 o 244.4678 10.14560 1442.324       118.3213 0.000000       0.000000 1442.324       118.3213 ?        ?        244.4678 10.14560 0.000000       10.14560 
1 1 1 14  13  14 f 125.7529 10.53285 383.9342       62.74331 423.0310       104.0562 361.5987       78.64935 130.4990 17.08850 121.3338 13.80340 9.165115       21.96704 
1 1 1 14  13  15 o 28.05963 12.81599 -25.01087      38.30046 151.2906       127.0191 -42.64381      40.17016 79.80260 27.48470 26.40231 12.41741 53.40029       30.15959 
1 1 1 14  13  16 o 290.4469 13.97862 2054.191       193.5363 2238.633       259.7286 1823.927       290.2034 301.3940 18.10858 269.6004 22.72651 31.79358       29.05882 
1 1 1 14  13  17 o 260.1837 13.27106 1647.574       164.5345 1593.927       215.8272 1722.014       254.2361 254.0664 17.88273 262.8892 20.38739 -8.822830      27.11895 
1 1 1 14  13  18 o 125.6426 17.60838 395.0380       102.8708 381.5334       111.2446 474.7457       270.2642 122.7989 19.60765 129.9538 39.77856 -7.154922      44.34855 
1 1 1 14  13  19 o 71.31617 24.04751 122.6118       97.15359 168.2957       121.1544 40.31461       162.6112 81.87199 26.83259 69.19723 29.05996 12.67477       39.55337 
1 1 1 14  13  20 o 61.25908 23.75616 66.14680       99.38200 104.0403       123.0378 -4.985857      168.5740 71.05447 26.70267 65.59806 28.59586 5.456406       39.12487 
1 1 1 14  13  21 o 75.73998 30.22430 96.93147       164.9477 4.285878       189.4566 387.1287       335.3081 69.90763 30.39697 119.4607 44.24147 -49.55303      53.67758 
1 1 1 14  13  22 o 227.4570 15.00980 1272.090       162.3111 1337.371       204.5244 1161.027       266.7676 231.5357 18.63370 210.8323 27.09134 20.70338       32.88092 
1 1 1 14  13  23 o 123.4347 20.96178 391.2502       119.2813 337.5205       125.8643 864.9641       373.7260 113.3306 23.97919 168.2466 45.41356 -54.91602      51.35555 
1 1 1 14  13  24 f 297.9828 14.88094 2184.846       211.3263 2030.407       271.4034 2422.667       336.7924 283.9037 20.12613 307.8336 23.05172 -23.92990      30.60136 
1 1 1 14  13  25 o 78.98399 28.59439 150.0718       138.8519 60.87384       148.1096 797.4142       398.9997 68.02898 28.08158 155.0524 48.48207 -87.02347      56.02755 
1 1 1 14  13  26 o 217.5205 17.17013 1187.808       177.1121 1237.958       221.2022 1098.231       295.6339 219.2871 21.37011 197.7989 32.38186 21.48816       38.79776 
1 1 1 14  13  27 o 54.54673 25.87807 -169.2346      181.6325 266.4934       259.0568 -590.5359      254.7321 99.51728 38.41908 50.67494 25.33181 48.84234       46.01876 
1 1 1 14  13  28 o 66.97422 32.24972 -299.0380      305.4553 -485.5962      341.7024 443.0004       681.4813 65.05582 31.93778 120.4176 54.63279 -55.36179      63.28320 
1 1 1 14  13  29 o 74.87119 30.40281 110.6185       170.0734 28.39983       199.8865 326.2351       323.6974 70.45409 30.91508 104.4320 42.11016 -33.97791      52.23990 
1 1 1 14  13  30 o 87.38572 27.79636 220.4101       130.6314 186.0635       143.2918 389.4172       317.8569 81.70486 29.11283 106.3360 42.11110 -24.63113      51.19474 
1 1 1 14  13  31 f 75.60676 27.49124 157.8266       128.5317 126.3205       140.7172 316.4683       315.7610 71.70506 28.13491 96.98799 40.59709 -25.28293      49.39329 
1 1 1 14  13  32 o 150.8558 24.76225 651.7679       172.4004 704.3130       177.9916 -145.3939      693.2770 157.1803 24.48326 88.02301 43.63375 69.15732       50.03333 
1 1 1 14  13  33 o 60.83733 26.80421 37.38021       151.6747 43.56282       154.2847 -140.7354      828.1097 61.74062 27.12393 86.48949 43.56663 -24.74888      51.32016 
1 1 1 14  13  34 o 51.43875 25.52668 -336.8621      239.7701 -406.9474      272.3833 -95.63633      505.3344 53.08238 26.48260 75.51399 37.40107 -22.43161      45.82759 
1 1 1 14  14  0  o 289.1463 8.267269 2010.014       114.1674 1992.311       151.2236 2033.478       174.0957 287.2301 11.03289 289.7437 12.59809 -2.513550      16.74624 
1 1 1 14  14  1  o 132.8463 8.376817 425.6468       52.93220 345.5258       83.14611 480.2466       68.63789 118.3724 15.03050 140.8444 10.26377 -22.47205      18.20058 
1 1 1 14  14  2  o 116.5608 14.06826 333.9032       76.81352 0.000000       0.000000 333.9032       76.81352 ?        ?        116.5608 14.06826 0.000000       14.06826 
1 1 1 14  14  3  o 31.59963 14.61421 -41.98846      52.00088 0.000000       0.000000 -41.98846      52.00088 ?        ?        31.59963 14.61421 0.000000       14.61421 
1 1 1 14  14  4  o 150.4853 10.84808 548.6111       77.52306 0.000000       0.000000 548.6111       77.52306 ?        ?        150.4853 10.84808 0.000000       10.84808 
1 1 1 14  14  5  o 288.5816 9.412207 2005.354       129.6842 0.000000       0.000000 2005.354       129.6842 ?        ?        288.5816 9.412207 0.000000       9.412207 
1 1 1 14  14  6  o 166.5128 10.32174 670.3184       81.76520 0.000000       0.000000 670.3184       81.76520 ?        ?        166.5128 10.32174 0.000000       10.32174 
1 1 1 14  14  7  o 198.5934 9.888420 951.6950       93.59051 0.000000       0.000000 951.6950       93.59051 ?        ?        198.5934 9.888420 0.000000       9.888420 
1 1 1 14  14  8  o 226.4397 9.489651 1235.840       102.5055 0.000000       0.000000 1235.840       102.5055 ?        ?        226.4397 9.489651 0.000000       9.489651 
1 1 1 14  14  9  o 160.4449 12.03353 625.3066       91.63287 0.000000       0.000000 625.3066       91.63287 ?        ?        160.4449 12.03353 0.000000       12.03353 
1 1 1 14  14  10 f 141.9971 12.16659 490.7977       81.80032 0.000000       0.000000 490.7977       81.80032 ?        ?        141.9971 12.16659 0.000000       12.16659 
1 1 1 14  14  11 o 136.6304 12.59086 455.3407       81.32092 0.000000       0.000000 455.3407       81.32092 ?        ?        136.6304 12.59086 0.000000       12.59086 
1 1 1 14  14  12 o 70.71151 19.11258 127.0784       66.14037 0.000000       0.000000 127.0784       66.14037 ?        ?        70.71151 19.11258 0.000000       19.11258 
1 1 1 14  14  13 o 178.5465 10.55427 771.4602       89.69041 0.000000       0.000000 771.4602       89.69041 ?        ?        178.5465 10.55427 0.000000       10.55427 
1 1 1 14  14  14 o 279.2809 9.237602 1879.632       123.1717 1864.466       166.6324 1897.900       182.8814 277.1910 12.60696 279.2823 13.73893 -2.091248      18.64654 
1 1 1 14  14  15 o 182.7177 9.384285 806.2106       81.70202 704.5553       155.9089 844.6949       95.92866 167.8140 19.81441 186.7395 10.79089 -18.92551      22.56223 
1 1 1 14  14  16 o 82.20586 13.25228 168.0356       50.31311 139.7275       88.10423 181.7348       61.28975 74.38464 22.70086 84.99554 15.65968 -10.61091      27.57816 
1 1 1 14  14  17 o 233.4960 12.64230 1326.578       140.6018 1388.574       178.4398 1225.054       228.3469 237.7537 15.78786 220.4920 21.95315 17.26173       27.04066 
1 1 1 14  14  18 o 159.3276 14.44026 623.9705       108.8021 729.5301       133.7331 417.3104       187.1193 171.6906 16.49508 123.9307 31.51484 47.75989       35.57067 
1 1 1 14  14  19 o 52.19258 20.73654 39.54739       77.31143 61.89159       88.47881 -32.58698      158.9747 58.51276 22.48836 61.28075 27.19890 -2.767982      35.29173 
1 1 1 14  14  20 o 144.0277 21.37409 529.1592       142.7199 929.1362       218.8127 233.0082       188.2832 189.8708 24.68904 95.77461 33.43698 94.09622       41.56417 
1 1 1 14  14  21 o 58.19838 23.47085 45.83152       100.5759 128.5791       124.6198 -108.7573      170.3328 75.04437 27.10005 57.38459 26.50753 17.65979       37.90860 
1 1 1 14  14  22 o 56.40597 24.47057 -3.103128      122.2076 -41.25053      131.1095 249.5444       337.4110 54.47095 24.40277 106.6044 42.99052 -52.13345      49.43359 
1 1 1 14  14  23 o 208.6741 14.72147 1072.985       145.9257 928.3674       176.9254 1380.684       258.0727 191.8341 19.56462 231.6938 23.62839 -39.85973      30.67695 
1 1 1 14  14  24 o 119.7851 22.56030 376.1977       124.4593 405.4906       131.7191 132.2211       380.1388 124.2591 23.01990 98.98985 43.04966 25.26929       48.81792 
1 1 1 14  14  25 f 131.7293 19.20833 445.0163       117.4120 382.3829       134.4245 646.5478       241.1277 119.5691 24.34373 149.5300 34.44012 -29.96088      42.17510 
1 1 1 14  14  26 o 102.5068 24.14566 284.1205       116.3690 337.7103       131.6133 92.15194       249.1001 111.4042 25.29109 82.91729 35.44034 28.48689       43.53914 
1 1 1 14  14  27 o 102.7708 30.44561 302.0662       160.2128 392.0107       172.9312 -242.8176      425.6358 116.7951 30.60634 82.02946 39.11386 34.76562       49.66531 
1 1 1 14  14  28 o 241.3158 16.85879 1472.381       193.2770 1552.771       247.5809 1346.942       309.2664 243.8200 21.45795 218.0439 30.50071 25.77602       37.29258 
1 1 1 14  14  29 o 115.9301 32.65047 411.9337       188.6270 418.1547       275.6884 406.4582       258.6444 111.2610 40.28989 110.5609 39.14168 0.7001419      56.17247 
1 1 1 14  14  30 o 179.4138 30.35875 961.2025       251.1258 1233.189       301.1120 339.8270       455.1259 200.7668 32.47950 101.1578 45.38072 99.60904       55.80616 
1 1 1 14  14  31 o 127.5146 29.94170 501.6155       179.3969 589.4100       194.2383 -7.920605      467.9384 138.3474 30.21488 84.58028 40.51477 53.76716       50.54093 
1 1 1 14  14  32 o 101.1885 30.37597 331.8234       158.6639 392.3477       191.5234 199.4123       283.2820 106.7617 33.61923 84.15916 36.86964 22.60249       49.89612 
1 1 1 14  14  33 f 58.65964 26.36880 18.07061       154.5276 93.62435       183.3902 -166.9082      286.9519 68.14479 29.76381 62.77229 30.47364 5.372501       42.59727 
1 1 1 14  14  34 o 85.94717 31.24103 269.6972       165.9679 235.6410       199.4615 346.3414       299.2269 80.35160 32.81366 87.29373 38.07529 -6.942131      50.26394 
1 1 1 14  15  0  o 60.39737 14.21448 92.05640       40.35724 87.75735       66.09785 94.61163       50.95844 60.61970 19.81635 61.27399 16.86512 -0.6542892     26.02153 
1 1 1 14  15  1  o 188.3902 7.590176 853.5106       68.22263 766.2948       95.96870 942.6152       97.00233 177.8141 11.34822 197.5087 10.30845 -19.69467      15.33121 
1 1 1 14  15  2  o 59.02281 20.04742 80.29892       67.52631 0.000000       0.000000 80.29892       67.52631 ?        ?        59.02281 20.04742 0.000000       20.04742 
1 1 1 14  15  3  o 288.5078 9.028416 2003.880       124.3777 0.000000       0.000000 2003.880       124.3777 ?        ?        288.5078 9.028416 0.000000       9.028416 
1 1 1 14  15  4  o 107.9275 12.99489 285.8598       65.70463 0.000000       0.000000 285.8598       65.70463 ?        ?        107.9275 12.99489 0.000000       12.99489 
1 1 1 14  15  5  o 37.01618 14.47180 20.25409       37.11847 0.000000       0.000000 20.25409       37.11847 ?        ?        37.01618 14.47180 0.000000       14.47180 
1 1 1 14  15  6  o 177.3566 12.21222 763.8074       102.9180 0.000000       0.000000 763.8074       102.9180 ?        ?        177.3566 12.21222 0.000000       12.21222 
1 1 1 14  15  7  o 129.3343 12.32837 407.9826       75.30916 0.000000       0.000000 407.9826       75.30916 ?        ?        129.3343 12.32837 0.000000       12.32837 
1 1 1 14  15  8  o 192.8416 10.01235 898.1279       91.99313 0.000000       0.000000 898.1279       91.99313 ?        ?        192.8416 10.01235 0.000000       10.01235 
1 1 1 14  15  9  o 122.8029 12.20357 368.1145       70.70093 0.000000       0.000000 368.1145       70.70093 ?        ?        122.8029 12.20357 0.000000       12.20357 
1 1 1 14  15  10 o 221.9058 11.87948 1193.570       125.5708 0.000000       0.000000 1193.570       125.5708 ?        ?        221.9058 11.87948 0.000000       11.87948 
1 1 1 14  15  11 o 367.3965 13.56882 3279.293       237.9243 0.000000       0.000000 3279.293       237.9243 ?        ?        367.3965 13.56882 0.000000       13.56882 
1 1 1 14  15  12 f 336.9548 9.499923 2736.755       152.8855 0.000000       0.000000 2736.755       152.8855 ?        ?        336.9548 9.499923 0.000000       9.499923 
1 1 1 14  15  13 o 90.29081 13.91428 202.4973       58.13699 0.000000       0.000000 202.4973       58.13699 ?        ?        90.29081 13.91428 0.000000       13.91428 
1 1 1 14  15  14 o 114.4277 12.98639 321.5824       69.78918 0.000000       0.000000 321.5824       69.78918 ?        ?        114.4277 12.98639 0.000000       12.98639 
1 1 1 14  15  15 o 210.5014 9.785407 1070.881       98.20922 933.4506       162.6245 1149.774       123.2145 194.0636 17.72347 217.5790 11.89023 -23.51534      21.34242 
1 1 1 14  15  16 o 187.0696 10.42184 847.7770       92.84014 701.0571       162.4546 918.9342       113.1350 166.6929 20.83880 194.3069 12.24089 -27.61403      24.16806 
1 1 1 14  15  17 f 71.03761 20.95423 128.3547       76.02533 149.2025       87.82743 66.04383       151.8385 76.31775 22.52472 70.29950 28.65948 6.018250       36.45173 
1 1 1 14  15  18 o 168.7041 15.63693 702.8345       124.6853 688.9719       165.1694 721.2004       190.1131 164.7410 21.48224 167.1997 24.51067 -2.458710      32.59232 
1 1 1 14  15  19 o 86.73631 20.97023 195.1607       85.99145 224.1600       101.1091 119.3481       163.4806 92.57368 22.95814 78.40839 30.45159 14.16529       38.13628 
1 1 1 14  15  20 o 59.98635 21.94139 76.18745       82.05074 87.64223       94.45119 40.95320       165.6519 64.10625 23.52601 69.49897 29.26704 -5.392715      37.55040 
1 1 1 14  15  21 f 94.99760 26.42490 240.1651       124.3710 242.0157       137.7392 231.9958       289.3995 95.25793 28.23206 101.8297 40.22735 -6.571770      49.14558 
1 1 1 14  15  22 o 66.29485 27.22882 56.30870       138.3352 209.4297       219.3712 -44.77835      178.2420 93.87321 35.57167 63.36478 28.41498 30.50843       45.52752 
1 1 1 14  15  23 o 211.8698 20.82374 1145.618       208.2065 867.6892       252.2133 1740.249       368.9143 177.6715 30.80834 252.2975 31.25236 -74.62607      43.88466 
1 1 1 14  15  24 o 101.5253 30.09438 287.4480       156.5003 466.0663       217.4458 95.49033       225.4192 126.3014 34.86765 81.33521 34.18968 44.96623       48.83326 
1 1 1 14  15  25 o 196.3449 17.86644 975.1563       165.8779 958.5484       211.2424 1001.868       267.8992 190.8420 23.65885 189.6813 30.58167 1.160736       38.66496 
1 1 1 14  15  26 o 93.46677 30.28313 244.2829       154.5443 165.6374       199.7433 361.5820       243.9397 84.86921 33.45334 109.5148 38.07040 -24.64563      50.68019 
1 1 1 14  15  27 o 64.82384 28.75672 -4.678707      177.4803 163.6248       260.2961 -150.9057      242.6246 88.51402 36.94085 64.93742 30.53366 23.57659       47.92631 
1 1 1 14  15  28 o 146.2341 22.73938 576.4871       153.8131 439.4422       186.0200 872.7214       273.4927 120.8449 31.78010 168.5730 35.07828 -47.72810      47.33350 
1 1 1 14  15  29 o 47.42348 22.69305 -149.8522      145.9888 -152.7748      156.0486 -129.3517      413.2902 49.21993 23.52806 79.97304 38.24525 -30.75311      44.90288 
1 1 1 14  15  30 o 95.07426 29.21146 278.1157       145.5741 352.3406       173.6815 102.8255       266.9055 104.8153 31.84987 78.92036 35.12265 25.89497       47.41323 
1 1 1 14  15  31 o 47.50961 23.39226 -288.5897      187.7039 -372.6361      280.4875 -220.4232      252.6035 57.26770 28.27227 59.34090 28.75696 -2.073204      40.32721 
1 1 1 14  15  32 o 44.69494 21.68459 -168.8088      144.7206 -314.0337      167.5905 257.0338       286.9813 42.50303 21.13424 85.73750 37.34395 -43.23447      42.90952 
1 1 1 14  15  33 o 73.26641 30.55311 163.1477       177.8519 258.4492       189.8796 -518.4123      507.7859 83.80537 32.74112 67.01253 33.80075 16.79285       47.05817 
1 1 1 14  16  0  o 188.4002 8.795096 855.7616       79.00053 828.4515       129.3071 872.0266       99.79010 183.9235 14.83105 189.7233 11.04948 -5.799744      18.49463 
1 1 1 14  16  1  o 306.9637 13.51329 2290.611       197.8295 0.000000       0.000000 2290.611       197.8295 ?        ?        306.9637 13.51329 0.000000       13.51329 
1 1 1 14  16  2  o 51.12614 18.60393 53.55840       58.87689 0.000000       0.000000 53.55840       58.87689 ?        ?        51.12614 18.60393 0.000000       18.60393 
1 1 1 14  16  3  o 214.7682 10.20518 1114.459       104.4852 0.000000       0.000000 1114.459       104.4852 ?        ?        214.7682 10.20518 0.000000       10.20518 
1 1 1 14  16  4  o 154.7750 11.21903 581.4697       82.45298 0.000000       0.000000 581.4697       82.45298 ?        ?        154.7750 11.21903 0.000000       11.21903 
1 1 1 14  16  5  o 139.9330 11.09308 475.6623       73.60629 0.000000       0.000000 475.6623       73.60629 ?        ?        139.9330 11.09308 0.000000       11.09308 
1 1 1 14  16  6  o 176.0506 10.97662 751.0355       91.92815 0.000000       0.000000 751.0355       91.92815 ?        ?        176.0506 10.97662 0.000000       10.97662 
1 1 1 14  16  7  o 213.9714 9.220484 1104.141       94.10167 0.000000       0.000000 1104.141       94.10167 ?        ?        213.9714 9.220484 0.000000       9.220484 
1 1 1 14  16  8  o 121.5349 11.79917 360.4307       67.69671 0.000000       0.000000 360.4307       67.69671 ?        ?        121.5349 11.79917 0.000000       11.79917 
1 1 1 14  16  9  o 155.6401 11.88254 589.2860       87.74924 0.000000       0.000000 589.2860       87.74924 ?        ?        155.6401 11.88254 0.000000       11.88254 
1 1 1 14  16  10 o 52.01693 18.34989 59.07585       56.80419 0.000000       0.000000 59.07585       56.80419 ?        ?        52.01693 18.34989 0.000000       18.34989 
1 1 1 14  16  11 o 252.5457 12.33477 1548.702       148.4785 0.000000       0.000000 1548.702       148.4785 ?        ?        252.5457 12.33477 0.000000       12.33477 
1 1 1 14  16  12 o 201.3818 10.99066 982.8635       105.4151 0.000000       0.000000 982.8635       105.4151 ?        ?        201.3818 10.99066 0.000000       10.99066 
1 1 1 14  16  13 f 233.3563 12.33836 1323.636       137.1638 0.000000       0.000000 1323.636       137.1638 ?        ?        233.3563 12.33836 0.000000       12.33836 
1 1 1 14  16  14 o 31.64962 14.92344 -63.35450      58.68779 0.000000       0.000000 -63.35450      58.68779 ?        ?        31.64962 14.92344 0.000000       14.92344 
1 1 1 14  16  15 o 129.7221 12.82469 412.5001       78.49736 0.000000       0.000000 412.5001       78.49736 ?        ?        129.7221 12.82469 0.000000       12.82469 
1 1 1 14  16  16 o 101.5600 14.56167 256.5299       68.68362 345.7349       142.3593 229.4653       78.41362 114.2337 26.56968 95.03838 17.91463 19.19527       32.04500 
1 1 1 14  16  17 o 202.7794 10.30124 996.0109       99.53979 1068.782       168.6559 957.1133       123.3056 207.7298 17.13445 197.9675 13.10179 9.762253       21.56957 
1 1 1 14  16  18 o 91.37369 13.21083 207.1559       56.03797 308.0751       98.31332 158.5890       68.20184 109.9351 19.41515 78.56165 18.47126 31.37349       26.79805 
1 1 1 14  16  19 o 120.3760 21.60869 373.3532       119.7891 437.5697       162.5952 297.1216       177.1544 128.1089 27.37792 104.7083 32.23420 23.40057       42.29177 
1 1 1 14  16  20 o 333.2801 12.10802 2703.923       192.6054 2781.111       231.3311 2529.508       347.7379 336.7591 14.40159 314.8173 23.26834 21.94174       27.36460 
1 1 1 14  16  21 o 83.30494 22.44095 182.6241       91.36695 215.0479       106.3929 91.53609       178.3247 89.94687 24.20989 76.14307 31.05231 13.80380       39.37468 
1 1 1 14  16  22 o 93.57836 24.87764 235.5070       113.2048 54.77047       142.5826 543.7394       186.2012 66.35352 27.48657 141.0412 28.59385 -74.68768      39.66257 
1 1 1 14  16  23 o 166.1597 17.29296 695.8035       135.3661 720.2051       172.3646 656.5313       218.6658 166.4064 22.22040 153.2491 30.91294 13.15730       38.07040 
1 1 1 14  16  24 o 102.5974 28.25276 293.7613       142.9683 -11.19432      153.8003 2232.801       387.8219 60.87951 26.89984 286.3049 28.72062 -225.4254      39.35067 
1 1 1 14  16  25 o 133.4801 19.60338 461.2678       121.3748 501.7086       144.8025 365.7296       222.5637 137.5434 22.81995 110.4266 36.37730 27.11676       42.94249 
1 1 1 14  16  26 f 44.66314 21.15046 -117.6020      120.2674 -122.9857      145.0522 -105.7598      215.1271 49.83114 23.48572 63.41776 29.46586 -13.58662      37.68045 
1 1 1 14  16  27 f 52.45279 23.80724 -41.26822      129.5705 -57.46789      152.9012 0.4942980E-05  244.0427 55.63345 25.48419 72.94370 32.93260 -17.31025      41.64133 
1 1 1 14  16  28 o 74.48164 31.20447 109.3721       186.8078 94.23826       271.1025 123.0543       257.7735 80.30247 35.58650 81.40059 35.42461 -1.098122      50.21257 
1 1 1 14  16  29 o 101.2655 34.10773 339.3359       195.4460 563.4792       278.5161 121.8703       274.3360 122.3575 40.70830 80.86753 35.81948 41.48998       54.22362 
1 1 1 14  16  30 o 37.66246 18.90982 -375.5067      149.5285 -361.8372      159.0139 -479.9376      439.5157 39.90067 19.95615 69.03991 34.31205 -29.13924      39.69338 
1 1 1 14  16  31 o 111.1149 29.12807 397.3982       156.5937 469.0442       189.0247 240.6570       279.5853 116.8722 32.60226 85.04409 36.95279 31.82811       49.27896 
1 1 1 14  16  32 o 75.41237 32.23523 172.9268       206.1123 420.2540       303.2118 -39.52884      281.0246 94.43407 39.67162 66.49158 31.72638 27.94250       50.79765 
1 1 1 14  17  0  o 103.0229 10.05460 258.2499       48.89345 333.4994       80.73968 214.6756       61.43992 116.1402 14.88265 92.94843 14.28238 23.19179       20.62716 
1 1 1 14  17  1  o 156.9071 12.79976 600.4800       95.18452 0.000000       0.000000 600.4800       95.18452 ?        ?        156.9071 12.79976 0.000000       12.79976 
1 1 1 14  17  2  o 231.9327 9.930343 1299.029       109.8571 0.000000       0.000000 1299.029       109.8571 ?        ?        231.9327 9.930343 0.000000       9.930343 
1 1 1 14  17  3  o 356.6187 11.85681 3080.125       201.8720 0.000000       0.000000 3080.125       201.8720 ?        ?        356.6187 11.85681 0.000000       11.85681 
1 1 1 14  17  4  o 71.56277 15.00132 129.2776       49.68090 0.000000       0.000000 129.2776       49.68090 ?        ?        71.56277 15.00132 0.000000       15.00132 
1 1 1 14  17  5  o 92.25623 15.55173 213.0472       66.15682 0.000000       0.000000 213.0472       66.15682 ?        ?        92.25623 15.55173 0.000000       15.55173 
1 1 1 14  17  6  o 368.5552 14.72153 3313.754       258.8743 0.000000       0.000000 3313.754       258.8743 ?        ?        368.5552 14.72153 0.000000       14.72153 
1 1 1 14  17  7  o 99.88765 14.36096 247.5178       66.61206 0.000000       0.000000 247.5178       66.61206 ?        ?        99.88765 14.36096 0.000000       14.36096 
1 1 1 14  17  8  o 242.1210 12.29030 1423.800       141.8013 0.000000       0.000000 1423.800       141.8013 ?        ?        242.1210 12.29030 0.000000       12.29030 
1 1 1 14  17  9  o 128.9790 11.81986 405.9371       72.07574 0.000000       0.000000 405.9371       72.07574 ?        ?        128.9790 11.81986 0.000000       11.81986 
1 1 1 14  17  10 o 105.4578 14.06928 275.1760       69.16662 0.000000       0.000000 275.1760       69.16662 ?        ?        105.4578 14.06928 0.000000       14.06928 
1 1 1 14  17  11 o 297.0461 13.49642 2149.340       191.1678 0.000000       0.000000 2149.340       191.1678 ?        ?        297.0461 13.49642 0.000000       13.49642 
1 1 1 14  17  12 o 258.5850 9.866551 1615.441       121.7530 0.000000       0.000000 1615.441       121.7530 ?        ?        258.5850 9.866551 0.000000       9.866551 
1 1 1 14  17  13 o 305.4417 18.15669 2308.197       263.9424 0.000000       0.000000 2308.197       263.9424 ?        ?        305.4417 18.15669 0.000000       18.15669 
1 1 1 14  17  14 o 127.8268 13.31319 401.3969       80.16939 0.000000       0.000000 401.3969       80.16939 ?        ?        127.8268 13.31319 0.000000       13.31319 
1 1 1 14  17  15 o 176.6865 11.83612 759.9698       99.40512 0.000000       0.000000 759.9698       99.40512 ?        ?        176.6865 11.83612 0.000000       11.83612 
1 1 1 14  17  16 o 384.2405 9.562384 3562.786       175.6619 0.000000       0.000000 3562.786       175.6619 ?        ?        384.2405 9.562384 0.000000       9.562384 
1 1 1 14  17  17 o 52.67641 19.68091 54.41565       66.63424 -348.8739      146.8263 159.0232       74.77851 39.62902 19.71781 78.41524 19.91279 -38.78622      28.02341 
1 1 1 14  17  18 o 288.8362 11.74019 2029.208       161.7816 1513.729       271.7401 2312.237       201.3552 242.9543 23.69567 307.3898 13.73610 -64.43544      27.38915 
1 1 1 14  17  19 o 29.64478 13.39693 -20.61748      40.49942 -70.01133      87.22724 -7.043305      45.72697 40.32748 18.74605 34.13222 14.88602 6.195263       23.93758 
1 1 1 14  17  20 o 308.3408 14.92390 2346.633       219.3461 2428.439       288.6138 2234.769       337.4949 310.2212 19.55931 293.4326 24.27449 16.78860       31.17399 
1 1 1 14  17  21 o 47.01450 20.36505 -2.460376      84.37773 50.31848       95.88146 -183.6692      177.6619 57.38823 22.99544 53.37326 25.39924 4.014969       34.26239 
1 1 1 14  17  22 o 224.9414 16.18504 1263.971       172.8934 1296.750       203.1583 1177.877       329.2453 226.0631 18.97221 201.9048 35.39855 24.15836       40.16220 
1 1 1 14  17  23 o 97.84711 28.45241 267.0660       141.0386 186.6725       205.8485 338.1984       193.6292 88.07902 34.18069 107.7775 33.78465 -19.69849      48.05957 
1 1 1 14  17  24 o 153.8803 24.75197 636.5578       175.9218 732.4880       204.3411 361.8334       345.8013 163.5786 27.07521 110.0871 43.81759 53.49150       51.50774 
1 1 1 14  17  25 o 160.1676 21.48223 676.2488       160.3546 708.2410       217.9436 638.4888       236.7765 157.4030 30.05750 145.3005 34.58617 12.10246       45.82201 
1 1 1 14  17  26 o 69.20590 28.40664 88.27940       150.4408 -136.3410      207.1483 338.9803       218.8439 59.39791 28.01647 103.4324 36.05266 -44.03445      45.65870 
1 1 1 14  17  27 o 231.7597 17.82001 1393.734       195.9337 1348.973       221.4830 1554.860       420.2182 224.8014 20.84529 209.1609 43.44453 15.64047       48.18665 
1 1 1 14  17  28 o 91.59657 28.53220 254.6465       138.3302 305.3333       162.6035 121.8677       263.1765 98.41778 30.97519 80.13242 35.30647 18.28535       46.96817 
1 1 1 14  17  29 o 60.29610 26.10225 40.53637       138.4457 -44.34228      161.2813 278.2310       269.8948 56.28499 25.92563 91.07382 37.77982 -34.78883      45.81979 
1 1 1 14  17  30 o 72.49835 31.40272 119.2752       200.6145 -286.6605      281.9704 535.3960       285.4858 58.90904 28.93869 111.0115 40.87392 -52.10245      50.08119 
1 1 1 14  17  31 o 59.14932 26.84204 15.85422       164.6230 -67.84892      175.8296 610.4116       468.6169 54.76574 25.82556 97.71273 44.70496 -42.94699      51.62841 
1 1 1 14  18  0  o 186.2296 8.985232 837.3239       79.76327 872.4353       129.3034 815.7557       101.3426 188.6521 14.44630 183.1976 11.63086 5.454483       18.54649 
1 1 1 14  18  1  o 332.4031 9.862573 2667.362       156.5608 0.000000       0.000000 2667.362       156.5608 ?        ?        332.4031 9.862573 0.000000       9.862573 
1 1 1 14  18  2  o 70.41819 17.15882 126.4138       57.22941 0.000000       0.000000 126.4138       57.22941 ?        ?        70.41819 17.15882 0.000000       17.15882 
1 1 1 14  18  3  o 332.3409 14.11268 2692.154       223.7237 0.000000       0.000000 2692.154       223.7237 ?        ?        332.3409 14.11268 0.000000       14.11268 
1 1 1 14  18  4  o 387.3049 8.898022 3611.322       164.7612 0.000000       0.000000 3611.322       164.7612 ?        ?        387.3049 8.898022 0.000000       8.898022 
1 1 1 14  18  5  o 208.2880 11.66210 1052.943       115.6676 0.000000       0.000000 1052.943       115.6676 ?        ?        208.2880 11.66210 0.000000       11.66210 
1 1 1 14  18  6  o 199.1387 10.89466 960.9301       103.3285 0.000000       0.000000 960.9301       103.3285 ?        ?        199.1387 10.89466 0.000000       10.89466 
1 1 1 14  18  7  o 320.4214 14.30913 2504.905       218.6483 0.000000       0.000000 2504.905       218.6483 ?        ?        320.4214 14.30913 0.000000       14.30913 
1 1 1 14  18  8  o 60.13908 20.13419 85.44421       68.11425 0.000000       0.000000 85.44421       68.11425 ?        ?        60.13908 20.13419 0.000000       20.13419 
1 1 1 14  18  9  o 79.57444 15.14416 159.4548       55.50969 0.000000       0.000000 159.4548       55.50969 ?        ?        79.57444 15.14416 0.000000       15.14416 
1 1 1 14  18  10 o 37.72433 17.02947 -31.63965      65.22974 0.000000       0.000000 -31.63965      65.22974 ?        ?        37.72433 17.02947 0.000000       17.02947 
1 1 1 14  18  11 o 232.1221 12.91201 1312.723       142.7263 0.000000       0.000000 1312.723       142.7263 ?        ?        232.1221 12.91201 0.000000       12.91201 
1 1 1 14  18  12 o 135.7682 13.64368 453.0424       87.36077 0.000000       0.000000 453.0424       87.36077 ?        ?        135.7682 13.64368 0.000000       13.64368 
1 1 1 14  18  13 o 53.96321 16.63692 71.75672       47.17054 0.000000       0.000000 71.75672       47.17054 ?        ?        53.96321 16.63692 0.000000       16.63692 
1 1 1 14  18  14 o 162.1854 11.73015 641.2588       90.33979 0.000000       0.000000 641.2588       90.33979 ?        ?        162.1854 11.73015 0.000000       11.73015 
1 1 1 14  18  15 o 163.2957 12.01136 651.1429       93.11633 0.000000       0.000000 651.1429       93.11633 ?        ?        163.2957 12.01136 0.000000       12.01136 
1 1 1 14  18  16 o 203.6776 12.96782 1015.680       125.6196 0.000000       0.000000 1015.680       125.6196 ?        ?        203.6776 12.96782 0.000000       12.96782 
1 1 1 14  18  17 o 185.1881 11.79318 837.7186       103.8700 0.000000       0.000000 837.7186       103.8700 ?        ?        185.1881 11.79318 0.000000       11.79318 
1 1 1 14  18  18 o 52.89081 20.29367 51.48044       71.96905 -155.5426      159.8964 104.0761       80.59431 51.62273 24.42876 65.21397 21.90200 -13.59124      32.80948 
1 1 1 14  18  19 o 62.94893 17.63800 101.8705       55.19428 123.1517       162.4054 99.09150       58.68748 77.40657 30.26865 62.27689 18.42099 15.12968       35.43338 
1 1 1 14  18  20 o 146.3811 12.41568 527.6312       86.06992 432.1016       191.7766 551.7266       96.31487 122.8414 32.25031 149.2631 13.64771 -26.42164      35.01917 
1 1 1 14  18  21 o 76.39091 25.21749 151.5157       106.9349 198.2943       131.4274 59.89048       183.9373 85.86266 27.93466 72.47961 30.69693 13.38305       41.50478 
1 1 1 14  18  22 o 71.64344 26.82797 117.5165       123.9608 96.76492       134.9274 229.8307       313.9002 69.89826 27.51250 98.62035 40.81173 -28.72208      49.21926 
1 1 1 14  18  23 o 63.58820 24.90846 79.08938       110.1378 83.96587       135.1723 69.45721       189.9750 67.79971 27.25650 73.30222 31.12729 -5.502502      41.37421 
1 1 1 14  18  24 o 43.85325 21.00319 -144.7760      125.6606 -207.3994      135.6786 232.9279       333.2106 42.51609 20.71119 96.32756 41.07544 -53.81147      46.00158 
1 1 1 14  18  25 o 69.66750 24.71137 125.9984       103.1322 175.7354       117.9520 -35.46315      212.5202 79.33635 26.49406 65.98840 30.15842 13.34795       40.14307 
1 1 1 14  18  26 o 33.03246 16.40387 -218.0134      99.68258 -265.5429      111.6227 -30.82268      221.5200 33.86982 16.90616 66.56684 30.55986 -32.69703      34.92454 
1 1 1 14  18  27 o 42.77262 20.13068 -83.91014      105.9010 -134.5248      120.0598 93.51620       224.7856 42.47785 20.39325 74.99169 32.84852 -32.51384      38.66407 
1 1 1 14  18  28 o 69.97824 29.36073 105.6336       165.7567 -31.51864      214.1301 310.6951       261.8294 63.97297 29.61063 93.30526 37.78325 -29.33229      48.00378 
1 1 1 14  18  29 o 109.3846 25.78800 365.2151       132.6458 405.5895       150.8070 227.2193       278.8056 113.1435 28.02603 83.43451 36.56399 29.70904       46.06934 
1 1 1 14  18  30 o 66.69717 27.63819 114.9256       144.2270 217.9326       166.0238 -201.9254      291.1819 79.91930 30.78187 60.99321 29.84751 18.92609       42.87654 
1 1 1 14  19  0  o 199.2864 11.95325 967.8859       113.3630 0.000000       0.000000 967.8859       113.3630 ?        ?        199.2864 11.95325 0.000000       11.95325 
1 1 1 14  19  1  o 228.9048 10.71038 1271.081       116.8860 0.000000       0.000000 1271.081       116.8860 ?        ?        228.9048 10.71038 0.000000       10.71038 
1 1 1 14  19  2  o 70.29233 17.35730 126.6753       57.97868 0.000000       0.000000 126.6753       57.97868 ?        ?        70.29233 17.35730 0.000000       17.35730 
1 1 1 14  19  3  o 125.1107 13.69421 386.0539       80.57400 0.000000       0.000000 386.0539       80.57400 ?        ?        125.1107 13.69421 0.000000       13.69421 
1 1 1 14  19  4  o 217.5451 12.05076 1152.429       124.8452 0.000000       0.000000 1152.429       124.8452 ?        ?        217.5451 12.05076 0.000000       12.05076 
1 1 1 14  19  5  o 169.7934 11.29227 701.5732       91.14554 0.000000       0.000000 701.5732       91.14554 ?        ?        169.7934 11.29227 0.000000       11.29227 
1 1 1 14  19  6  o 106.3696 14.16078 280.7786       70.22599 0.000000       0.000000 280.7786       70.22599 ?        ?        106.3696 14.16078 0.000000       14.16078 
1 1 1 14  19  7  o 85.29296 17.67398 185.8544       69.69958 0.000000       0.000000 185.8544       69.69958 ?        ?        85.29296 17.67398 0.000000       17.67398 
1 1 1 14  19  8  o 74.53699 16.35952 141.6846       56.69469 0.000000       0.000000 141.6846       56.69469 ?        ?        74.53699 16.35952 0.000000       16.35952 
1 1 1 14  19  9  o 199.7148 11.60006 970.7450       110.2822 0.000000       0.000000 970.7450       110.2822 ?        ?        199.7148 11.60006 0.000000       11.60006 
1 1 1 14  19  10 o 160.7446 11.67769 630.3611       89.13122 0.000000       0.000000 630.3611       89.13122 ?        ?        160.7446 11.67769 0.000000       11.67769 
1 1 1 14  19  11 o 51.89197 16.74299 65.09141       47.27121 0.000000       0.000000 65.09141       47.27121 ?        ?        51.89197 16.74299 0.000000       16.74299 
1 1 1 14  19  12 o 40.17102 17.78974 -18.13947      67.63430 0.000000       0.000000 -18.13947      67.63430 ?        ?        40.17102 17.78974 0.000000       17.78974 
1 1 1 14  19  13 o 87.01091 14.88009 190.7198       59.67667 0.000000       0.000000 190.7198       59.67667 ?        ?        87.01091 14.88009 0.000000       14.88009 
1 1 1 14  19  14 o 160.1518 12.31376 628.4907       93.55910 0.000000       0.000000 628.4907       93.55910 ?        ?        160.1518 12.31376 0.000000       12.31376 
1 1 1 14  19  15 o 133.4631 13.83765 440.9020       87.01449 0.000000       0.000000 440.9020       87.01449 ?        ?        133.4631 13.83765 0.000000       13.83765 
1 1 1 14  19  16 o 236.3479 12.80492 1369.354       144.1492 0.000000       0.000000 1369.354       144.1492 ?        ?        236.3479 12.80492 0.000000       12.80492 
1 1 1 14  19  17 o 95.64784 17.96284 235.3917       79.12519 0.000000       0.000000 235.3917       79.12519 ?        ?        95.64784 17.96284 0.000000       17.96284 
1 1 1 14  19  18 o 33.68005 15.66249 -50.43081      60.98915 0.000000       0.000000 -50.43081      60.98915 ?        ?        33.68005 15.66249 0.000000       15.66249 
1 1 1 14  19  19 o 103.8091 19.37315 280.0933       92.61334 479.5616       183.3986 211.8157       107.2996 130.6081 30.00303 88.52438 24.51430 42.08376       38.74445 
1 1 1 14  19  20 o 212.7171 11.52009 1108.711       116.7194 1090.087       312.3552 1111.733       125.8350 193.0723 35.13310 212.5813 12.43565 -19.50899      37.26902 
1 1 1 14  19  21 o 43.85963 20.07190 -49.90934      94.55339 -352.5756      300.6748 -16.69336      99.60672 64.08935 31.13170 48.68557 21.57320 15.40377       37.87593 
1 1 1 14  19  22 o 54.83381 25.25225 -70.17305      152.9063 -171.7306      266.5543 -20.36377      186.6743 66.38394 31.45151 64.35457 28.95095 2.029373       42.74757 
1 1 1 14  19  23 o 115.9221 28.81576 394.8110       159.0123 715.7097       240.8532 146.8721       211.7098 152.2464 33.95497 81.05009 33.52638 71.19632       47.71748 
1 1 1 14  19  24 o 51.90154 25.05270 -205.9471      187.0369 -270.5219      226.7048 -68.30561      330.9816 55.24261 26.87949 75.95438 35.69780 -20.71178      44.68601 
1 1 1 14  19  25 o 129.0906 27.95993 493.7088       167.5574 742.6051       245.8131 277.6908       229.0029 151.5009 34.68718 93.04330 36.06708 58.45760       50.04034 
1 1 1 14  19  26 o 56.71241 25.93922 -33.70844      157.6179 124.8466       219.4696 -202.5957      226.5076 76.64146 33.01970 57.11920 27.57087 19.52225       43.01690 
1 1 1 14  19  27 o ?        ?        -405.3978      106.5586 -407.2063      110.5516 -381.7107      400.0937 28.56032 14.54702 67.03396 33.21489 -38.47364      36.26078 
1 1 1 14  19  28 o 42.67606 20.21408 -85.30315      109.9739 -80.16708      123.1190 -105.5762      244.6069 45.78564 21.59688 61.36224 29.36605 -15.57660      36.45257 
1 1 1 14  20  0  o 41.15495 19.33321 -92.00847      96.87869 0.000000       0.000000 -92.00847      96.87869 ?        ?        41.15495 19.33321 0.000000       19.33321 
1 1 1 14  20  1  o 133.7141 14.76399 443.7449       92.81226 0.000000       0.000000 443.7449       92.81226 ?        ?        133.7141 14.76399 0.000000       14.76399 
1 1 1 14  20  2  o 73.66253 22.50147 139.4480       86.53693 0.000000       0.000000 139.4480       86.53693 ?        ?        73.66253 22.50147 0.000000       22.50147 
1 1 1 14  20  3  o 174.1993 13.23205 744.9589       109.3757 0.000000       0.000000 744.9589       109.3757 ?        ?        174.1993 13.23205 0.000000       13.23205 
1 1 1 14  20  4  o 281.1815 11.07971 1921.360       148.6526 0.000000       0.000000 1921.360       148.6526 ?        ?        281.1815 11.07971 0.000000       11.07971 
1 1 1 14  20  5  o 216.7269 12.80143 1149.251       132.0508 0.000000       0.000000 1149.251       132.0508 ?        ?        216.7269 12.80143 0.000000       12.80143 
1 1 1 14  20  6  o 185.3233 14.38712 846.6840       126.4735 0.000000       0.000000 846.6840       126.4735 ?        ?        185.3233 14.38712 0.000000       14.38712 
1 1 1 14  20  7  f 128.1861 16.67340 412.4214       99.76265 0.000000       0.000000 412.4214       99.76265 ?        ?        128.1861 16.67340 0.000000       16.67340 
1 1 1 14  20  8  o 70.68169 17.88926 128.9008       60.49469 0.000000       0.000000 128.9008       60.49469 ?        ?        70.68169 17.88926 0.000000       17.88926 
1 1 1 14  20  9  o 143.0160 13.82339 505.1826       93.33975 0.000000       0.000000 505.1826       93.33975 ?        ?        143.0160 13.82339 0.000000       13.82339 
1 1 1 14  20  10 o 150.1609 12.68128 553.9677       90.18898 0.000000       0.000000 553.9677       90.18898 ?        ?        150.1609 12.68128 0.000000       12.68128 
1 1 1 14  20  11 o 67.19218 17.46378 116.4179       56.60838 0.000000       0.000000 116.4179       56.60838 ?        ?        67.19218 17.46378 0.000000       17.46378 
1 1 1 14  20  12 o 150.0303 13.35229 555.1644       94.77348 0.000000       0.000000 555.1644       94.77348 ?        ?        150.0303 13.35229 0.000000       13.35229 
1 1 1 14  20  13 o 79.07736 20.20209 163.8201       76.64454 0.000000       0.000000 163.8201       76.64454 ?        ?        79.07736 20.20209 0.000000       20.20209 
1 1 1 14  20  14 o 125.3940 15.28765 393.5733       89.75632 0.000000       0.000000 393.5733       89.75632 ?        ?        125.3940 15.28765 0.000000       15.28765 
1 1 1 14  20  15 o 83.28242 24.76664 185.0881       105.8567 0.000000       0.000000 185.0881       105.8567 ?        ?        83.28242 24.76664 0.000000       24.76664 
1 1 1 14  20  16 o 180.2394 13.48250 802.5076       115.3374 0.000000       0.000000 802.5076       115.3374 ?        ?        180.2394 13.48250 0.000000       13.48250 
1 1 1 14  20  17 o 174.9161 13.97256 759.1242       115.8753 0.000000       0.000000 759.1242       115.8753 ?        ?        174.9161 13.97256 0.000000       13.97256 
1 1 1 14  20  18 o 132.9397 16.26493 447.8487       101.2243 0.000000       0.000000 447.8487       101.2243 ?        ?        132.9397 16.26493 0.000000       16.26493 
1 1 1 14  20  19 o 144.7991 15.17780 528.6224       103.5116 0.000000       0.000000 528.6224       103.5116 ?        ?        144.7991 15.17780 0.000000       15.17780 
1 1 1 14  20  20 o 64.74217 19.51438 110.3976       65.38522 77.88441       176.2863 115.5839       70.40728 71.44727 30.14536 66.16937 20.31234 5.277893       36.35015 
1 1 1 14  20  21 o 117.6745 14.86108 352.5930       81.74561 -54.03419      194.9355 439.3566       90.04546 62.39584 28.65332 131.6828 14.54501 -69.28691      32.13363 
1 1 1 14  20  22 o 134.5921 14.92260 461.7406       94.41074 877.9020       195.9712 335.9609       107.7374 178.7704 23.49750 111.2213 21.03171 67.54910       31.53514 
1 1 1 14  20  23 o 108.5846 16.42112 307.2874       82.58729 292.9276       195.4209 310.4098       91.12471 95.54498 34.00332 108.1240 18.27893 -12.57900      38.60499 
1 1 1 14  20  24 o 46.39217 21.49819 -60.02873      113.3641 -46.64998      136.2145 -90.17722      204.4789 52.12667 23.94284 59.97483 28.14675 -7.848167      36.95266 
1 1 1 14  20  25 o 144.8673 20.76763 578.8013       139.7269 694.0377       174.0309 369.7704       234.3887 155.2905 24.23173 99.69723 36.97686 55.59332       44.20933 
1 1 1 14  20  26 o 51.42875 23.20325 -9.848353      120.9076 -68.30972      141.7016 146.6563       231.8484 50.29674 23.54898 76.11777 33.35067 -25.82103      40.82673 
1 1 1 14  20  27 o 61.10939 26.49489 62.83433       143.0849 10.83514       152.4728 446.5185       414.1722 57.40240 25.96250 92.63496 42.24672 -35.23256      49.58665 
1 1 1 14  21  0  o 169.2013 15.75150 717.4153       125.9554 0.000000       0.000000 717.4153       125.9554 ?        ?        169.2013 15.75150 0.000000       15.75150 
1 1 1 14  21  1  o 94.62673 27.60461 246.8790       132.5688 0.000000       0.000000 246.8790       132.5688 ?        ?        94.62673 27.60461 0.000000       27.60461 
1 1 1 14  21  2  o 165.3893 12.41003 672.7245       97.41143 0.000000       0.000000 672.7245       97.41143 ?        ?        165.3893 12.41003 0.000000       12.41003 
1 1 1 14  21  3  o 93.80785 18.27441 227.3103       79.01029 0.000000       0.000000 227.3103       79.01029 ?        ?        93.80785 18.27441 0.000000       18.27441 
1 1 1 14  21  4  o 139.5578 12.44973 479.5438       82.19460 0.000000       0.000000 479.5438       82.19460 ?        ?        139.5578 12.44973 0.000000       12.44973 
1 1 1 14  21  5  o 170.9491 13.38286 720.5104       108.5052 0.000000       0.000000 720.5104       108.5052 ?        ?        170.9491 13.38286 0.000000       13.38286 
1 1 1 14  21  6  o 363.6338 11.15320 3219.893       193.6682 0.000000       0.000000 3219.893       193.6682 ?        ?        363.6338 11.15320 0.000000       11.15320 
1 1 1 14  21  7  o 205.7650 13.35376 1041.946       130.6566 0.000000       0.000000 1041.946       130.6566 ?        ?        205.7650 13.35376 0.000000       13.35376 
1 1 1 14  21  8  o 36.90179 15.93122 -2.617481      51.29366 0.000000       0.000000 -2.617481      51.29366 ?        ?        36.90179 15.93122 0.000000       15.93122 
1 1 1 14  21  9  o 154.8024 13.70157 592.8196       100.3582 0.000000       0.000000 592.8196       100.3582 ?        ?        154.8024 13.70157 0.000000       13.70157 
1 1 1 14  21  10 o 123.9396 13.86201 382.0442       80.73288 0.000000       0.000000 382.0442       80.73288 ?        ?        123.9396 13.86201 0.000000       13.86201 
1 1 1 14  21  11 o 28.73619 13.30996 -34.55039      43.37514 0.000000       0.000000 -34.55039      43.37514 ?        ?        28.73619 13.30996 0.000000       13.30996 
1 1 1 14  21  12 o 86.46759 20.41901 197.5725       83.05213 0.000000       0.000000 197.5725       83.05213 ?        ?        86.46759 20.41901 0.000000       20.41901 
1 1 1 14  21  13 o 167.4694 13.95028 696.6754       110.6797 0.000000       0.000000 696.6754       110.6797 ?        ?        167.4694 13.95028 0.000000       13.95028 
1 1 1 14  21  14 o 136.2973 15.14890 467.1244       97.04780 0.000000       0.000000 467.1244       97.04780 ?        ?        136.2973 15.14890 0.000000       15.14890 
1 1 1 14  21  15 o 108.1396 16.05446 298.4728       80.48646 0.000000       0.000000 298.4728       80.48646 ?        ?        108.1396 16.05446 0.000000       16.05446 
1 1 1 14  21  16 o 168.2048 15.75025 715.2156       125.1854 0.000000       0.000000 715.2156       125.1854 ?        ?        168.2048 15.75025 0.000000       15.75025 
1 1 1 14  21  17 f 106.0239 21.37075 302.9416       104.5800 0.000000       0.000000 302.9416       104.5800 ?        ?        106.0239 21.37075 0.000000       21.37075 
1 1 1 14  21  18 o 97.41468 23.29016 263.3734       106.9969 0.000000       0.000000 263.3734       106.9969 ?        ?        97.41468 23.29016 0.000000       23.29016 
1 1 1 14  21  19 o 47.15009 19.54188 25.45184       72.12292 0.000000       0.000000 25.45184       72.12292 ?        ?        47.15009 19.54188 0.000000       19.54188 
1 1 1 14  21  20 o 58.46946 20.67322 84.45339       72.13158 0.000000       0.000000 84.45339       72.13158 ?        ?        58.46946 20.67322 0.000000       20.67322 
1 1 1 14  21  21 f 52.15167 18.97122 63.26854       61.21798 -18.94923      184.1040 73.48934       64.91167 62.35785 28.33264 55.00562 19.59507 7.352226       34.44859 
1 1 1 14  21  22 o 112.6137 15.97312 330.9828       83.58812 376.1829       204.7830 321.9465       91.56309 104.5724 34.90918 109.8052 18.06971 -5.232834      39.30859 
1 1 1 14  21  23 o 46.57570 18.54035 39.19545       61.91717 353.1204       186.9263 0.5071371      65.62170 101.0213 33.34059 40.83064 17.81957 60.19062       37.80386 
1 1 1 14  21  24 o 91.13679 18.52094 228.9391       77.94373 156.5514       327.3446 233.2899       80.25190 80.58060 37.05048 91.76255 18.92166 -11.18195      41.60249 
1 1 1 14  21  25 o 69.78044 30.63553 105.2012       196.5210 -99.68664      295.4180 267.8458       263.2078 65.74753 31.67330 84.90415 36.36308 -19.15662      48.22314 
1 1 1 14  22  0  o 87.31409 21.08782 205.1033       87.02889 0.000000       0.000000 205.1033       87.02889 ?        ?        87.31409 21.08782 0.000000       21.08782 
1 1 1 14  22  1  o 99.49014 19.70816 261.4929       90.42590 0.000000       0.000000 261.4929       90.42590 ?        ?        99.49014 19.70816 0.000000       19.70816 
1 1 1 14  22  2  o 114.0867 22.75125 350.8755       119.7387 0.000000       0.000000 350.8755       119.7387 ?        ?        114.0867 22.75125 0.000000       22.75125 
1 1 1 14  22  3  o 100.3980 15.78367 257.4789       73.26292 0.000000       0.000000 257.4789       73.26292 ?        ?        100.3980 15.78367 0.000000       15.78367 
1 1 1 14  22  4  o 198.8027 12.13335 974.4385       114.7725 0.000000       0.000000 974.4385       114.7725 ?        ?        198.8027 12.13335 0.000000       12.13335 
1 1 1 14  22  5  o 135.2932 16.23197 464.8440       102.8980 0.000000       0.000000 464.8440       102.8980 ?        ?        135.2932 16.23197 0.000000       16.23197 
1 1 1 14  22  6  o 53.25539 20.84210 51.16936       77.05451 0.000000       0.000000 51.16936       77.05451 ?        ?        53.25539 20.84210 0.000000       20.84210 
1 1 1 14  22  7  o 220.0217 15.02840 1211.844       157.1344 0.000000       0.000000 1211.844       157.1344 ?        ?        220.0217 15.02840 0.000000       15.02840 
1 1 1 14  22  8  o 66.29862 23.86326 106.1935       96.53351 0.000000       0.000000 106.1935       96.53351 ?        ?        66.29862 23.86326 0.000000       23.86326 
1 1 1 14  22  9  o 104.1507 15.03430 275.4755       72.69630 0.000000       0.000000 275.4755       72.69630 ?        ?        104.1507 15.03430 0.000000       15.03430 
1 1 1 14  22  10 o 188.7925 13.26433 885.7659       118.9613 0.000000       0.000000 885.7659       118.9613 ?        ?        188.7925 13.26433 0.000000       13.26433 
1 1 1 14  22  11 o 134.0400 13.85203 450.4576       87.49055 0.000000       0.000000 450.4576       87.49055 ?        ?        134.0400 13.85203 0.000000       13.85203 
1 1 1 14  22  12 o 136.6538 14.93439 472.0370       95.98365 0.000000       0.000000 472.0370       95.98365 ?        ?        136.6538 14.93439 0.000000       14.93439 
1 1 1 14  22  13 o 119.2601 16.86295 366.5682       93.46808 0.000000       0.000000 366.5682       93.46808 ?        ?        119.2601 16.86295 0.000000       16.86295 
1 1 1 14  22  14 o 36.40517 15.60067 2.142726       48.49769 0.000000       0.000000 2.142726       48.49769 ?        ?        36.40517 15.60067 0.000000       15.60067 
1 1 1 14  22  15 o 145.6002 14.23452 534.7912       97.82186 0.000000       0.000000 534.7912       97.82186 ?        ?        145.6002 14.23452 0.000000       14.23452 
1 1 1 14  22  16 o 91.42950 18.08587 221.5456       76.25480 0.000000       0.000000 221.5456       76.25480 ?        ?        91.42950 18.08587 0.000000       18.08587 
1 1 1 14  22  17 o 138.3675 18.77904 504.8590       121.0236 0.000000       0.000000 504.8590       121.0236 ?        ?        138.3675 18.77904 0.000000       18.77904 
1 1 1 14  22  18 o 73.73889 24.86172 151.3619       103.8439 0.000000       0.000000 151.3619       103.8439 ?        ?        73.73889 24.86172 0.000000       24.86172 
1 1 1 14  22  19 f 107.6956 22.76789 327.6045       113.5557 0.000000       0.000000 327.6045       113.5557 ?        ?        107.6956 22.76789 0.000000       22.76789 
1 1 1 14  22  20 o 94.54206 26.65755 272.1793       125.6624 0.000000       0.000000 272.1793       125.6624 ?        ?        94.54206 26.65755 0.000000       26.65755 
1 1 1 14  22  21 o 45.21017 20.92623 -50.30951      106.9493 0.000000       0.000000 -50.30951      106.9493 ?        ?        45.21017 20.92623 0.000000       20.92623 
1 1 1 14  22  22 o 56.11379 23.51911 53.81027       106.1900 0.000000       0.000000 53.81027       106.1900 ?        ?        56.11379 23.51911 0.000000       23.51911 
1 1 1 14  23  0  o 60.23335 24.68610 62.08400       113.3939 0.000000       0.000000 62.08400       113.3939 ?        ?        60.23335 24.68610 0.000000       24.68610 
1 1 1 14  23  1  o 148.3245 15.55329 562.3895       108.6535 0.000000       0.000000 562.3895       108.6535 ?        ?        148.3245 15.55329 0.000000       15.55329 
1 1 1 14  23  2  o 111.8988 17.38844 327.1111       90.00478 0.000000       0.000000 327.1111       90.00478 ?        ?        111.8988 17.38844 0.000000       17.38844 
1 1 1 14  23  3  o 220.8508 11.20593 1203.760       117.9325 0.000000       0.000000 1203.760       117.9325 ?        ?        220.8508 11.20593 0.000000       11.20593 
1 1 1 14  23  4  o 62.87807 21.75042 100.4037       79.57912 0.000000       0.000000 100.4037       79.57912 ?        ?        62.87807 21.75042 0.000000       21.75042 
1 1 1 14  23  5  o 114.3567 16.10450 336.5847       85.61205 0.000000       0.000000 336.5847       85.61205 ?        ?        114.3567 16.10450 0.000000       16.10450 
1 1 1 14  23  6  o 101.3704 23.09747 284.4607       109.4349 0.000000       0.000000 284.4607       109.4349 ?        ?        101.3704 23.09747 0.000000       23.09747 
1 1 1 14  23  7  o 72.35183 29.50063 107.1431       160.9116 0.000000       0.000000 107.1431       160.9116 ?        ?        72.35183 29.50063 0.000000       29.50063 
1 1 1 14  23  8  o 92.87544 31.66410 258.2360       168.4789 0.000000       0.000000 258.2360       168.4789 ?        ?        92.87544 31.66410 0.000000       31.66410 
1 1 1 14  23  9  o 143.6330 13.84739 519.6091       93.91173 0.000000       0.000000 519.6091       93.91173 ?        ?        143.6330 13.84739 0.000000       13.84739 
1 1 1 14  23  10 o 100.8548 16.69489 264.9223       77.68481 0.000000       0.000000 264.9223       77.68481 ?        ?        100.8548 16.69489 0.000000       16.69489 
1 1 1 14  23  11 o 117.3835 14.13620 349.9035       77.73691 0.000000       0.000000 349.9035       77.73691 ?        ?        117.3835 14.13620 0.000000       14.13620 
1 1 1 14  23  12 o 53.56884 26.14408 -281.6313      219.0601 0.000000       0.000000 -281.6313      219.0601 ?        ?        53.56884 26.14408 0.000000       26.14408 
1 1 1 14  23  13 o 89.32495 21.21507 220.8715       89.24538 0.000000       0.000000 220.8715       89.24538 ?        ?        89.32495 21.21507 0.000000       21.21507 
1 1 1 14  23  14 o 227.9307 14.50604 1319.961       157.2536 0.000000       0.000000 1319.961       157.2536 ?        ?        227.9307 14.50604 0.000000       14.50604 
1 1 1 14  23  15 o 120.1858 13.57071 367.8832       76.61448 0.000000       0.000000 367.8832       76.61448 ?        ?        120.1858 13.57071 0.000000       13.57071 
1 1 1 14  23  16 o 68.05828 20.56423 128.4532       72.54612 0.000000       0.000000 128.4532       72.54612 ?        ?        68.05828 20.56423 0.000000       20.56423 
1 1 1 14  23  17 o 160.7270 15.27761 669.5307       115.9858 0.000000       0.000000 669.5307       115.9858 ?        ?        160.7270 15.27761 0.000000       15.27761 
1 1 1 14  23  18 o 73.60765 20.81913 154.0202       76.52441 0.000000       0.000000 154.0202       76.52441 ?        ?        73.60765 20.81913 0.000000       20.81913 
1 1 1 15  -8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -7  15 o 66.33318 13.83891 116.9000       42.46579 198.1416       66.07125 59.71706       55.43148 85.12871 16.83078 49.33254 18.03598 35.79617       24.66925 
1 1 1 15  -6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -6  15 o 48.06290 15.38624 59.08296       39.97511 -31.12198      106.0173 74.03355       43.16090 47.10907 21.44173 53.01914 15.82597 -5.910076      26.64975 
1 1 1 15  -6  16 o 47.23008 16.74250 53.84798       47.33522 51.87011       130.6853 54.14665       50.78356 59.76131 25.60932 47.81945 17.29548 11.94186       30.90261 
1 1 1 15  -6  17 o 133.1408 12.71803 452.2706       79.97151 347.0489       169.7607 482.2814       90.66154 100.2093 31.66422 136.5685 14.08751 -36.35914      34.65661 
1 1 1 15  -6  18 o 72.21532 18.55483 146.5388       64.40079 125.9580       176.4962 149.6998       69.16988 70.37487 29.94783 72.51384 19.52200 -2.138969      35.74886 
1 1 1 15  -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -5  14 o 59.79053 22.46141 82.05733       87.03981 82.05733       87.03981 0.000000       0.000000 59.79053 22.46141 ?        ?        0.000000       22.46141 
1 1 1 15  -5  15 o 27.06775 11.79485 -3.649404      28.65514 0.000000       0.000000 -3.649404      28.65514 ?        ?        27.06775 11.79485 0.000000       11.79485 
1 1 1 15  -5  16 o 70.41577 17.73870 133.4962       59.67908 -15.53958      115.8596 187.3202       69.62655 51.18735 22.93511 83.53333 17.96811 -32.34598      29.13542 
1 1 1 15  -5  17 o 87.52877 12.85001 195.2847       52.17274 279.3022       159.7642 185.2554       55.19896 94.02444 30.81276 84.67761 14.13274 9.346825       33.89928 
1 1 1 15  -5  18 o 95.29596 19.48241 248.5533       85.76312 165.2921       178.5602 273.5208       97.78008 77.80310 31.30988 98.92264 21.30517 -21.11954      37.87109 
1 1 1 15  -5  19 o 41.92595 18.63781 -9.589779      74.94382 254.0168       185.2345 -61.18603      81.95072 87.38579 32.77998 38.17856 17.88598 49.20723       37.34214 
1 1 1 15  -5  20 f 53.14397 20.35412 65.13314       72.31048 83.52303       130.8258 57.04360       86.76928 62.91093 26.21715 53.78232 21.76083 9.128609       34.07159 
1 1 1 15  -5  21 o 104.1235 24.68608 330.9053       121.0073 0.000000       0.000000 330.9053       121.0073 ?        ?        104.1235 24.68608 0.000000       24.68608 
1 1 1 15  -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  14 o 97.38682 10.25075 233.6228       47.01212 298.6924       111.2978 219.4917       51.86629 105.0429 22.81651 93.90841 11.81319 11.13446       25.69328 
1 1 1 15  -4  15 o 115.8352 10.70507 330.7839       58.61369 299.2362       102.4551 346.1325       71.46358 105.7752 21.00103 117.7255 12.90858 -11.95029      24.65106 
1 1 1 15  -4  16 o 44.22298 18.02231 25.11622       60.01801 37.92264       127.0970 21.44090       68.08781 60.00445 25.46950 45.64592 18.95891 14.35853       31.75116 
1 1 1 15  -4  17 o 219.8899 9.352361 1182.160       98.09389 1190.791       170.2705 1177.872       120.0109 215.5938 16.64830 218.2255 11.54395 -2.631714      20.25904 
1 1 1 15  -4  18 o 91.27831 13.30284 212.0159       56.34615 223.2087       113.4818 208.3537       64.91309 87.87592 25.51289 89.43302 15.75735 -1.557098      29.98669 
1 1 1 15  -4  19 o 100.2010 21.22781 277.2063       98.52522 258.8247       204.5151 282.7617       112.4321 90.64770 34.34684 99.50650 23.92848 -8.858803      41.86021 
1 1 1 15  -4  20 o 66.53931 22.70943 119.6939       86.66497 85.95374       120.9882 155.2495       124.2005 63.82208 25.74130 74.51498 27.03425 -10.69290      37.32914 
1 1 1 15  -4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -4  22 o 116.2006 22.89174 390.0220       122.6473 384.8425       215.7615 392.4945       149.0744 101.1856 35.75664 111.6796 27.98102 -10.49395      45.40347 
1 1 1 15  -4  23 o 43.31009 20.88599 -135.3728      129.2585 -56.79823      299.9588 -153.2908      143.2402 67.89622 32.50009 44.96058 21.75625 22.93563       39.10998 
1 1 1 15  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  14 o 85.12222 12.14446 180.7569       48.02336 0.000000       0.000000 180.7569       48.02336 ?        ?        85.12222 12.14446 0.000000       12.14446 
1 1 1 15  -3  15 o 209.9513 8.601341 1068.869       86.15345 1002.896       132.4719 1117.225       113.4146 201.0884 13.86420 213.6383 11.14257 -12.54990      17.78688 
1 1 1 15  -3  16 o 78.43616 15.93185 158.6127       57.70245 203.4352       102.4248 137.7729       69.84003 86.45723 23.95444 72.23074 19.68903 14.22649       31.00763 
1 1 1 15  -3  17 o 198.6623 10.96295 967.3519       103.7204 910.1882       159.6828 1009.071       136.4155 188.8613 17.89868 201.2106 14.27359 -12.34935      22.89319 
1 1 1 15  -3  18 o 49.92122 19.11502 48.41177       63.76374 49.13070       148.7929 48.25004       70.57237 65.08031 27.58809 51.26846 19.98036 13.81186       34.06344 
1 1 1 15  -3  19 o 137.9862 14.20847 480.2323       92.39444 602.9267       199.7495 446.8361       104.2130 143.1212 30.14625 131.6336 16.95266 11.48764       34.58597 
1 1 1 15  -3  20 o 58.26724 23.47019 61.47614       100.4374 149.8875       130.5617 -66.68967      157.1983 75.06705 27.64115 55.07254 25.44856 19.99452       37.57209 
1 1 1 15  -3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -3  22 o 137.7651 22.38052 526.2177       142.3524 542.5118       206.9691 511.5896       196.1036 129.1717 33.30164 126.3391 32.33492 2.832603       46.41709 
1 1 1 15  -3  23 o 86.92777 27.75569 231.7971       130.1501 300.3880       203.4326 184.2688       169.3415 93.78243 34.50817 79.41840 30.95063 14.36403       46.35467 
1 1 1 15  -3  24 f 75.03248 23.06200 164.9102       90.72413 474.8880       367.3106 144.7707       93.62495 100.0808 42.91157 70.68755 23.60430 29.39323       48.97515 
1 1 1 15  -3  25 o 61.75755 26.60544 68.01242       142.4666 337.6340       393.4713 27.33208       152.8368 88.36134 40.62535 59.02428 26.40197 29.33706       48.45083 
1 1 1 15  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  14 o 56.30204 13.70237 80.87879       36.52919 124.9535       65.41882 60.91013       44.03341 69.32333 19.11981 50.03336 16.16082 19.28998       25.03476 
1 1 1 15  -2  15 o 180.6194 8.525525 790.2157       73.41188 940.8381       110.9781 673.0265       97.88954 195.9364 11.90330 165.3996 12.47109 30.53674       17.23998 
1 1 1 15  -2  16 o 83.98530 15.47258 179.9569       59.83769 147.7699       115.2874 191.8250       70.00561 76.16759 26.18654 86.08344 17.60441 -9.915840      31.55392 
1 1 1 15  -2  17 o 132.5567 11.43744 432.1677       71.77517 619.2891       132.1368 353.8485       85.48622 155.8953 18.06279 118.4454 15.46527 37.44990       23.77896 
1 1 1 15  -2  18 f 58.94091 20.15683 84.21918       68.28410 -18.35800      151.9340 110.1832       76.43906 59.61790 26.51783 65.70238 21.29847 -6.084484      34.01206 
1 1 1 15  -2  19 o 82.30639 21.81453 182.0956       87.21120 201.0628       169.1035 175.2228       101.7927 86.86767 31.54071 80.49023 24.36749 6.377434       39.85713 
1 1 1 15  -2  20 o 57.75773 22.28110 66.65536       87.08464 4.686620       195.9051 81.91608       97.21800 67.95530 30.17552 61.95508 23.63219 6.000217       38.32809 
1 1 1 15  -2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -2  22 o 94.90343 28.29829 267.1024       138.0538 -148.0665      440.5183 312.3181       145.3772 81.31225 39.04411 102.3478 28.60648 -21.03557      48.40221 
1 1 1 15  -2  23 o 63.40336 22.76730 102.2880       87.81094 -25.14839      285.8355 115.5684       92.27303 73.26833 34.01607 66.33269 23.38843 6.935638       41.28089 
1 1 1 15  -2  24 o 92.88145 27.43830 260.5032       130.2755 89.38905       209.6565 368.1257       166.2711 73.17281 31.89434 107.7989 30.75475 -34.62611      44.30692 
1 1 1 15  -2  25 o 72.91721 25.13525 152.8515       106.2395 534.7389       369.2814 118.3917       110.9293 107.4435 44.34538 67.07178 25.32230 40.37170       51.06596 
1 1 1 15  -2  26 o 72.19154 28.56648 148.3313       146.1609 -5.353320      233.9228 246.7568       187.2023 65.94073 30.66801 84.91849 32.69179 -18.97776      44.82500 
1 1 1 15  -2  27 o 65.66459 28.92603 79.30812       176.5670 274.6429       418.9015 37.10696       194.7082 84.68073 39.91083 63.90230 29.07454 20.77843       49.37817 
1 1 1 15  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  13 o 72.29631 11.34627 129.7554       37.92744 107.8442       53.08242 152.6078       54.21036 64.88353 16.93472 77.60500 15.15504 -12.72147      22.72575 
1 1 1 15  -1  14 o 234.4990 7.641205 1325.284       85.55216 1333.791       122.9697 1317.304       119.1011 234.2308 11.01193 232.8752 10.72636 1.355652       15.37261 
1 1 1 15  -1  15 o 164.1071 9.404589 653.1858       73.47731 697.7824       105.8574 611.7222       102.0712 168.4676 13.24962 157.5240 13.68919 10.94356       19.05115 
1 1 1 15  -1  16 o 51.20761 18.72722 55.23619       59.76864 94.54255       106.7704 37.29797       72.12888 66.48473 24.89794 50.19271 20.00080 16.29202       31.93649 
1 1 1 15  -1  17 o 71.22563 22.20360 131.0599       83.75375 240.6419       131.0998 55.49475       108.8662 93.81593 27.47453 60.50991 24.41337 33.30602       36.75408 
1 1 1 15  -1  18 o 44.37777 20.30322 -53.06143      96.65412 0.000000       0.000000 -53.06143      96.65412 ?        ?        44.37777 20.30322 0.000000       20.30322 
1 1 1 15  -1  19 o 308.0490 10.86850 2315.187       159.8147 2630.418       289.8414 2177.483       191.5669 321.9171 18.91586 297.0947 13.52251 24.82245       23.25227 
1 1 1 15  -1  20 o 99.45537 25.56871 272.3522       122.2424 205.7393       189.1913 320.0933       160.1652 88.89436 33.17250 105.8003 30.18485 -16.90592      44.85019 
1 1 1 15  -1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  -1  22 f 71.44397 28.46017 105.0592       146.0013 292.9141       276.2114 32.22075       171.9929 100.0581 39.37009 66.85777 29.01738 33.20029       48.90820 
1 1 1 15  -1  23 o 38.32041 18.27822 -104.5127      93.10788 -357.4557      291.7640 -75.83285      98.24468 61.34585 29.98971 42.02352 19.65364 19.32233       35.85593 
1 1 1 15  -1  24 o 72.84998 27.84334 134.5786       135.1264 261.7975       192.5432 11.11014       189.6839 92.02434 33.61910 65.77429 29.41769 26.25005       44.67264 
1 1 1 15  -1  25 o 81.55571 31.10567 190.8925       168.4189 327.4862       309.1685 133.2539       200.8335 97.30568 40.40621 76.85162 32.28613 20.45406       51.72094 
1 1 1 15  -1  26 o 106.0765 34.11023 383.3666       196.3111 547.6084       473.3688 349.2524       215.7376 106.5216 47.12373 99.91079 35.70859 6.610794       59.12486 
1 1 1 15  -1  27 o 62.75146 28.26892 22.55459       178.6834 -37.41181      230.2510 113.3462       283.3156 64.36261 30.09682 77.13224 35.08525 -12.76963      46.22546 
1 1 1 15  -1  28 o 43.07963 21.23810 -241.0636      156.3876 -260.2173      413.2377 -237.8619      168.9537 68.44719 33.88682 45.34360 22.29975 23.10359       40.56594 
1 1 1 15  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0   12 o 42.83849 15.94874 35.30885       43.68204 0.000000       0.000000 35.30885       43.68204 ?        ?        42.83849 15.94874 0.000000       15.94874 
1 1 1 15  0   13 o 102.5787 10.88320 257.6201       52.55963 248.6913       71.34859 268.2149       77.72063 99.57998 15.49010 103.2560 16.28279 -3.676041      22.47382 
1 1 1 15  0   14 o 177.6873 9.488640 764.5313       80.31396 721.6752       112.9978 808.2838       114.1735 171.3564 13.91267 181.6347 13.23886 -10.27834      19.20494 
1 1 1 15  0   15 o 139.4764 11.47730 475.1316       75.85648 493.5956       100.3648 450.5314       115.8478 141.1067 15.11246 133.5000 18.65995 7.606750       24.01208 
1 1 1 15  0   16 o 283.0945 8.636429 1934.554       116.7524 2127.377       166.6233 1748.567       163.6427 295.6455 11.81221 267.5550 12.83047 28.09052       17.43988 
1 1 1 15  0   17 o 178.5301 11.97508 778.9509       101.6200 870.7236       153.4562 707.2758       135.6163 186.6102 17.40107 168.1680 17.10568 18.44215       24.40085 
1 1 1 15  0   18 o 104.3577 16.37985 275.5621       79.03448 328.6974       150.4440 255.3077       92.88432 109.3421 28.49525 99.01202 20.30419 10.33008       34.98913 
1 1 1 15  0   19 o 114.1222 21.16435 340.5543       111.2229 472.4593       167.9251 237.4645       148.4543 131.4529 27.60034 93.19849 29.63042 38.25440       40.49371 
1 1 1 15  0   20 o 138.3787 19.83533 493.6395       127.4777 588.7651       272.9259 467.0960       144.1703 138.1538 39.39873 132.6213 23.60335 5.532516       45.92797 
1 1 1 15  0   21 o 161.1275 20.06334 670.0538       151.2156 625.5124       198.4591 731.7064       233.4881 150.1277 28.69613 160.4219 31.56812 -10.29420      42.66162 
1 1 1 15  0   22 o 82.46095 32.12996 158.1909       182.4633 306.0305       304.4290 75.30674       227.9429 104.1647 41.22442 78.62259 33.75919 25.54207       53.28354 
1 1 1 15  0   23 o 72.50447 30.88778 64.92755       188.1076 129.7823       307.8023 26.26619       237.6509 89.23639 38.77356 75.26330 33.33781 13.97309       51.13511 
1 1 1 15  0   24 o 151.5239 21.92028 613.4783       154.1861 562.3278       315.6744 629.5045       176.6972 125.5225 43.32460 150.9446 25.38522 -25.42207      50.21385 
1 1 1 15  0   25 o 49.51261 22.59555 -44.07128      118.7325 -144.6353      190.4246 19.89211       151.8684 55.81981 26.48639 61.55326 26.98006 -5.733459      37.80810 
1 1 1 15  0   26 o 71.17686 27.24653 128.7016       129.5295 85.53407       208.5487 155.8126       165.2727 73.42582 31.90961 77.19030 30.42902 -3.764481      44.09250 
1 1 1 15  0   27 o 73.10154 32.49381 70.73100       227.7464 59.35247       376.5733 77.29308       285.9742 82.39264 38.51543 77.96715 35.38018 4.425491       52.29910 
1 1 1 15  0   28 o 84.21718 32.56575 229.4961       186.3564 251.5912       240.5657 196.3401       294.6911 86.67818 35.78515 83.46165 37.03824 3.216537       51.50154 
1 1 1 15  0   29 o 77.82924 34.01282 176.8197       239.7809 319.3572       383.9190 85.65975       307.0273 88.17799 40.38814 74.96894 34.95665 13.20905       53.41507 
1 1 1 15  1   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1   10 o 159.6405 10.92348 619.2540       82.86816 0.000000       0.000000 619.2540       82.86816 ?        ?        159.6405 10.92348 0.000000       10.92348 
1 1 1 15  1   11 o 298.8814 7.171252 2146.648       102.4713 0.000000       0.000000 2146.648       102.4713 ?        ?        298.8814 7.171252 0.000000       7.171252 
1 1 1 15  1   12 o 131.8954 9.515516 421.9182       59.59929 433.6384       79.54930 406.9216       89.98424 133.0011 12.66308 128.1669 14.96669 4.834167       19.60498 
1 1 1 15  1   13 o 462.7165 7.741928 5150.989       171.2665 5153.508       234.9408 5148.132       250.1929 461.5175 10.64785 460.8974 11.35435 0.6201172      15.56592 
1 1 1 15  1   14 o 52.38375 18.84982 58.77200       60.22819 63.88683       71.74855 46.56898       110.8233 55.66302 20.49157 60.30717 24.52238 -4.644150      31.95702 
1 1 1 15  1   15 o 155.5301 11.07289 588.9843       81.79632 675.2957       108.3920 474.8172       124.6618 165.7869 13.80039 136.8265 19.61748 28.96039       23.98534 
1 1 1 15  1   16 o 197.2736 10.54769 944.5270       99.11812 1069.909       134.1682 793.8787       147.0665 209.0163 13.49862 178.4347 17.46288 30.58163       22.07181 
1 1 1 15  1   17 o 68.09414 22.85115 112.7566       87.73233 165.0209       120.9887 54.80264       127.4043 80.80777 26.82898 64.39709 26.25271 16.41068       37.53664 
1 1 1 15  1   18 o 252.7047 10.97258 1551.219       132.2496 2073.582       191.6952 1076.791       182.6881 290.9234 13.82190 207.2611 18.63550 83.66237       23.20188 
1 1 1 15  1   19 o 90.96021 25.26750 220.7778       113.7990 120.3603       166.5836 308.6455       155.8267 78.08117 30.61919 106.0304 29.60979 -27.94923      42.59430 
1 1 1 15  1   20 o 81.44706 31.68953 142.3833       177.2945 -96.85844      269.3070 325.3874       235.5372 73.28659 33.66338 107.2587 37.40139 -33.97209      50.31985 
1 1 1 15  1   21 o 144.9270 23.50584 554.2122       157.2925 447.3710       198.9452 732.3566       256.8918 124.6352 32.90785 158.9657 34.77159 -34.33051      47.87473 
1 1 1 15  1   22 o 66.08044 29.53313 -23.42828      190.8055 5.106336       292.5371 -44.55552      251.7192 81.24569 36.42040 73.27784 33.22900 7.967850       49.30124 
1 1 1 15  1   23 f 85.26972 33.68414 167.1852       202.9041 -89.65980      316.8654 345.7045       264.1689 77.93732 36.05524 107.6119 39.36853 -29.67458      53.38409 
1 1 1 15  1   24 o 83.04612 33.87654 143.8113       212.3061 -234.7056      338.2290 389.9165       272.7272 73.14616 34.87503 111.5909 40.11718 -38.44476      53.15690 
1 1 1 15  1   25 o 143.3422 25.61176 567.5262       169.0762 824.2537       346.2492 487.1443       193.7456 152.6593 44.63446 127.8894 31.81743 24.76985       54.81408 
1 1 1 15  1   26 o 99.45539 27.90880 290.4449       138.0808 397.7532       208.0454 205.9585       184.6014 111.0205 35.04984 85.66354 32.59131 25.35698       47.86110 
1 1 1 15  1   27 o 60.60545 28.89791 -159.0012      232.3159 -9.433891      354.5867 -271.4891      307.5085 79.54209 37.24491 64.83260 31.49061 14.70949       48.77337 
1 1 1 15  1   28 o 191.4058 23.34738 1022.306       209.2334 1001.422       267.2688 1055.368       336.2795 178.2684 32.55861 169.0693 41.83384 9.199097       53.01069 
1 1 1 15  1   29 o 58.93901 26.65659 -1.774889      160.7183 137.9728       278.9733 -71.19858      196.6274 79.29453 35.55432 58.97632 27.65358 20.31821       45.04254 
1 1 1 15  1   30 o 53.73844 24.94348 -42.64969      153.5657 -137.6658      243.0745 20.46400       198.1082 59.70782 28.75534 63.68816 29.11123 -3.980335      40.91861 
1 1 1 15  2   0  o 43.19823 16.35423 33.48026       46.34423 0.000000       0.000000 33.48026       46.34423 ?        ?        43.19823 16.35423 0.000000       16.35423 
1 1 1 15  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2   7  o 53.49292 15.35233 71.49431       41.31325 0.000000       0.000000 71.49431       41.31325 ?        ?        53.49292 15.35233 0.000000       15.35233 
1 1 1 15  2   8  o 60.99394 19.06442 91.52081       61.70216 0.000000       0.000000 91.52081       61.70216 ?        ?        60.99394 19.06442 0.000000       19.06442 
1 1 1 15  2   9  f 137.4305 7.877306 455.4749       51.54022 0.000000       0.000000 455.4749       51.54022 ?        ?        137.4305 7.877306 0.000000       7.877306 
1 1 1 15  2   10 o 44.23315 12.18714 48.87104       26.59451 0.000000       0.000000 48.87104       26.59451 ?        ?        44.23315 12.18714 0.000000       12.18714 
1 1 1 15  2   11 o 269.9482 7.555082 1752.697       97.40934 0.000000       0.000000 1752.697       97.40934 ?        ?        269.9482 7.555082 0.000000       7.555082 
1 1 1 15  2   12 o 173.9653 9.225460 731.4044       76.45461 829.8110       97.85068 577.1678       122.5026 184.8887 11.12135 152.3660 17.11245 32.52269       20.40883 
1 1 1 15  2   13 o 185.7466 9.827011 834.9516       86.95660 815.9769       113.6647 861.7285       135.0262 182.7538 13.09602 187.1377 15.22343 -4.383911      20.08130 
1 1 1 15  2   14 o 130.5886 12.38332 417.6254       76.38885 392.2687       95.06760 463.8263       128.3251 125.4520 16.23066 135.0658 20.51722 -9.613838      26.16086 
1 1 1 15  2   15 o 216.4074 10.17586 1134.211       104.9865 1167.381       134.4485 1082.385       168.0602 218.6978 12.91640 208.9969 16.96540 9.700851       21.32272 
1 1 1 15  2   16 o 117.2721 16.23000 343.9909       88.55936 334.4469       111.1132 360.6122       146.6327 113.9337 21.17815 116.2387 26.91659 -2.304947      34.24933 
1 1 1 15  2   17 o 145.7152 13.35809 521.7105       92.02444 580.7197       111.6177 396.4677       162.6108 153.1212 15.45861 121.2426 28.53181 31.87861       32.45047 
1 1 1 15  2   18 o 244.1853 11.56223 1449.893       134.5967 1555.837       179.6784 1314.426       203.1771 251.5313 15.00981 229.3494 18.69165 22.18193       23.97232 
1 1 1 15  2   19 f 94.92790 29.93304 240.0515       151.7784 288.9326       183.2968 133.4275       270.7148 103.1124 32.94041 91.15504 37.82741 11.95737       50.15958 
1 1 1 15  2   20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2   21 o 261.5892 15.36576 1693.000       191.3222 1862.026       269.5317 1521.342       271.6214 270.4979 21.00646 242.3381 23.74871 28.15977       31.70604 
1 1 1 15  2   22 o 227.0597 20.92856 1321.488       224.6345 1218.857       331.2974 1408.824       305.6167 206.5531 34.78344 228.0997 28.65572 -21.54660      45.06704 
1 1 1 15  2   23 o 80.26850 29.08801 160.3494       143.7332 342.4092       314.9691 112.4641       161.5333 109.1934 42.30640 75.42393 29.97162 33.76950       51.84718 
1 1 1 15  2   24 o 99.87144 29.98631 282.7768       154.6084 332.2766       328.9031 268.7364       175.1683 107.5734 42.76081 97.34526 32.28070 10.22819       53.57732 
1 1 1 15  2   25 f 90.31644 35.40495 205.2861       222.6619 181.1558       349.0905 221.8361       289.1060 96.02867 41.50956 95.64658 39.33220 0.3820953      57.18449 
1 1 1 15  2   26 o 111.4907 27.33894 353.5041       144.5886 319.8419       226.7695 376.5634       187.6881 102.2365 36.60210 111.5520 32.92883 -9.315529      49.23435 
1 1 1 15  2   27 o 73.97958 31.11473 100.0595       186.8558 20.60963       236.5023 232.0400       304.8201 72.61902 32.63456 92.90083 39.43849 -20.28181      51.18993 
1 1 1 15  2   28 o 86.96058 31.73840 228.3233       171.5423 586.0642       390.4960 142.7787       190.9540 116.3171 46.47491 77.44236 31.91827 38.87471       56.37990 
1 1 1 15  2   29 o 65.14362 27.48905 72.85763       146.6166 -97.09373      228.4059 191.9645       191.2112 62.57987 29.48713 81.82131 32.57781 -19.24144      43.94092 
1 1 1 15  2   30 o 91.88559 37.37400 309.7292       257.5117 75.39382       407.4433 465.5936       332.2933 81.50307 38.69335 102.6048 42.17793 -21.10175      57.23769 
1 1 1 15  2   31 o 50.96868 24.09618 -84.77206      154.8733 -56.66939      247.1206 -102.9493      198.7463 63.64022 30.19007 56.11209 26.74792 7.528126       40.33475 
1 1 1 15  3   0  f 149.6378 9.163305 541.0624       65.24007 0.000000       0.000000 541.0624       65.24007 ?        ?        149.6378 9.163305 0.000000       9.163305 
1 1 1 15  3   1  o 92.65646 15.97610 215.2120       68.21562 0.000000       0.000000 215.2120       68.21562 ?        ?        92.65646 15.97610 0.000000       15.97610 
1 1 1 15  3   2  o 172.2840 8.440792 715.4271       69.31265 0.000000       0.000000 715.4271       69.31265 ?        ?        172.2840 8.440792 0.000000       8.440792 
1 1 1 15  3   3  o 62.41663 15.16908 98.61386       44.81619 0.000000       0.000000 98.61386       44.81619 ?        ?        62.41663 15.16908 0.000000       15.16908 
1 1 1 15  3   4  o 127.7586 9.430336 395.1256       57.19444 0.000000       0.000000 395.1256       57.19444 ?        ?        127.7586 9.430336 0.000000       9.430336 
1 1 1 15  3   5  o 257.7842 7.484811 1597.186       92.14788 0.000000       0.000000 1597.186       92.14788 ?        ?        257.7842 7.484811 0.000000       7.484811 
1 1 1 15  3   6  o 266.0228 7.398761 1700.640       94.00788 0.000000       0.000000 1700.640       94.00788 ?        ?        266.0228 7.398761 0.000000       7.398761 
1 1 1 15  3   7  o 111.8671 10.80709 304.7828       57.08008 0.000000       0.000000 304.7828       57.08008 ?        ?        111.8671 10.80709 0.000000       10.80709 
1 1 1 15  3   8  o 162.2344 8.160424 634.2719       63.09100 0.000000       0.000000 634.2719       63.09100 ?        ?        162.2344 8.160424 0.000000       8.160424 
1 1 1 15  3   9  o 88.76592 9.720321 192.0861       40.57733 0.000000       0.000000 192.0861       40.57733 ?        ?        88.76592 9.720321 0.000000       9.720321 
1 1 1 15  3   10 o 107.5968 9.494745 281.0206       48.34112 0.000000       0.000000 281.0206       48.34112 ?        ?        107.5968 9.494745 0.000000       9.494745 
1 1 1 15  3   11 o 247.7005 8.622073 1478.043       101.9493 0.000000       0.000000 1478.043       101.9493 ?        ?        247.7005 8.622073 0.000000       8.622073 
1 1 1 15  3   12 o 109.0627 13.53782 293.1955       69.07362 282.4177       79.75928 325.5292       138.1475 106.3256 16.20172 111.2089 26.38357 -4.883255      30.96108 
1 1 1 15  3   13 o 127.2445 12.80692 396.6965       76.85117 463.5701       89.81715 213.9300       148.4843 137.3779 13.86472 91.41602 29.68848 45.96186       32.76639 
1 1 1 15  3   14 f 133.8416 13.33078 439.5970       84.16811 384.5347       99.61568 576.9953       157.3590 123.9808 17.27448 150.2969 22.59827 -26.31614      28.44450 
1 1 1 15  3   15 o 198.6902 11.24323 958.5447       106.3654 1000.822       131.4757 878.4564       180.9573 202.2983 13.67427 186.7939 20.60503 15.50441       24.72960 
1 1 1 15  3   16 o 140.0282 15.02764 484.7767       99.03171 468.3195       119.2494 521.3495       177.7694 136.3557 18.79170 140.3096 27.48457 -3.953949      33.29459 
1 1 1 15  3   17 o 145.9205 13.75485 523.6091       94.82581 517.0184       131.4447 530.7614       136.9314 142.9273 19.76461 144.6036 20.37067 -1.676270      28.38317 
1 1 1 15  3   18 o 184.8757 13.01211 836.1706       114.2755 813.3444       153.5008 864.5499       171.1570 180.4449 18.03471 185.3809 19.60860 -4.936005      26.64109 
1 1 1 15  3   19 o 218.5093 17.82117 1188.920       184.5567 1293.005       219.1868 935.3566       342.1086 226.5237 20.45947 179.1451 40.85267 47.37860       45.68950 
1 1 1 15  3   20 o 89.68716 31.81309 200.3061       170.9285 218.4278       198.8606 149.0471       334.4527 93.96133 34.19064 98.30197 41.50142 -4.340645      53.77143 
1 1 1 15  3   21 o 154.0596 17.59863 595.3124       127.2986 483.5544       156.2611 815.8315       219.5000 135.4426 25.05424 175.6508 27.00130 -40.20821      36.83456 
1 1 1 15  3   22 o 81.61094 34.11002 94.19631       222.4158 36.73745       299.0159 165.3605       332.7717 85.67146 37.69460 97.83817 41.35588 -12.16672      55.95705 
1 1 1 15  3   23 o 223.8997 23.55715 1307.364       248.3914 1320.240       343.7891 1293.303       359.2796 215.3773 34.55574 210.7426 37.00882 4.634735       50.63351 
1 1 1 15  3   24 o 219.1288 20.78141 1235.011       215.1101 958.0553       364.4579 1383.069       266.4751 172.3658 44.06329 228.7159 24.76439 -56.35008      50.54551 
1 1 1 15  3   25 o 94.59119 37.61425 223.4166       254.5871 308.0536       357.4886 136.3191       362.6477 106.4215 43.74739 94.85114 41.63008 11.57037       60.38955 
1 1 1 15  3   26 o 188.8504 24.06872 952.0662       212.3786 614.3318       371.9912 1115.387       258.6818 131.5377 46.90315 201.4539 27.58198 -69.91615      54.41205 
1 1 1 15  3   27 o 74.33241 31.53304 83.56230       194.6270 24.58416       226.2725 251.2906       381.5834 73.00440 32.42312 99.70222 43.24715 -26.69781      54.05159 
1 1 1 15  3   28 o 73.51736 29.90716 117.0055       164.9237 63.69931       236.8009 167.2194       229.8298 75.52918 33.37528 83.57542 34.78246 -8.046234      48.20507 
1 1 1 15  3   29 o 87.37116 34.35244 229.2508       210.1554 260.9735       423.7333 218.9022       242.0184 95.03063 43.10092 87.19366 35.93501 7.836967       56.11608 
1 1 1 15  3   30 o 129.3914 35.55323 573.9261       226.6806 735.0849       278.8022 259.6155       389.3577 141.3998 39.64943 92.04720 41.57374 49.35264       57.44957 
1 1 1 15  3   31 o 89.16759 33.69445 277.5655       196.5074 85.06911       441.7259 325.0605       219.4145 82.08361 39.33078 93.82889 35.57052 -11.74528      53.02991 
1 1 1 15  3   32 o 59.04720 27.89248 -59.60879      206.7252 -54.73998      251.7374 -69.69147      362.2631 63.67370 30.28199 70.53576 34.24189 -6.862057      45.71112 
1 1 1 15  4   0  o 119.8777 11.18284 349.9078       63.35187 0.000000       0.000000 349.9078       63.35187 ?        ?        119.8777 11.18284 0.000000       11.18284 
1 1 1 15  4   1  o 62.13707 18.30302 96.45966       58.03840 0.000000       0.000000 96.45966       58.03840 ?        ?        62.13707 18.30302 0.000000       18.30302 
1 1 1 15  4   2  o 32.85719 14.25721 -5.663926      41.50052 0.000000       0.000000 -5.663926      41.50052 ?        ?        32.85719 14.25721 0.000000       14.25721 
1 1 1 15  4   3  o 323.7450 7.597520 2516.771       117.5935 0.000000       0.000000 2516.771       117.5935 ?        ?        323.7450 7.597520 0.000000       7.597520 
1 1 1 15  4   4  o 64.52624 13.91656 104.8061       41.66793 0.000000       0.000000 104.8061       41.66793 ?        ?        64.52624 13.91656 0.000000       13.91656 
1 1 1 15  4   5  o 359.6016 7.509173 3104.767       129.0988 0.000000       0.000000 3104.767       129.0988 ?        ?        359.6016 7.509173 0.000000       7.509173 
1 1 1 15  4   6  f 128.2088 9.517866 397.8431       57.92380 0.000000       0.000000 397.8431       57.92380 ?        ?        128.2088 9.517866 0.000000       9.517866 
1 1 1 15  4   7  o 175.0891 8.590209 738.8224       71.68752 0.000000       0.000000 738.8224       71.68752 ?        ?        175.0891 8.590209 0.000000       8.590209 
1 1 1 15  4   8  o 171.3384 8.734093 707.8204       71.30920 0.000000       0.000000 707.8204       71.30920 ?        ?        171.3384 8.734093 0.000000       8.734093 
1 1 1 15  4   9  f 62.33549 12.58257 97.35518       36.20455 0.000000       0.000000 97.35518       36.20455 ?        ?        62.33549 12.58257 0.000000       12.58257 
1 1 1 15  4   10 o 128.6293 9.598577 400.6689       58.60204 0.000000       0.000000 400.6689       58.60204 ?        ?        128.6293 9.598577 0.000000       9.598577 
1 1 1 15  4   11 o 173.8167 8.945547 728.9501       74.08720 0.000000       0.000000 728.9501       74.08720 ?        ?        173.8167 8.945547 0.000000       8.945547 
1 1 1 15  4   12 o 179.4648 10.21945 779.2640       87.32053 866.7521       110.1391 631.2115       143.2764 188.8168 12.26732 158.9417 19.24669 29.87515       22.82372 
1 1 1 15  4   13 o 52.25573 19.84805 49.65049       68.39468 60.05250       75.94781 5.019152       157.3174 55.93134 20.98782 64.87428 27.95303 -8.942944      34.95512 
1 1 1 15  4   14 o 170.6740 12.44143 709.6016       100.8215 736.5154       120.1146 645.4198       185.4872 173.2863 14.63521 158.1542 25.39057 15.13208       29.30649 
1 1 1 15  4   15 o 236.9120 12.85569 1366.397       145.0643 1533.275       192.5673 1147.441       220.5774 249.6975 16.21871 213.3364 21.93893 36.36107       27.28302 
1 1 1 15  4   16 o 139.5832 13.03794 477.3958       85.99966 555.4951       107.3737 337.6442       143.6326 150.0427 15.17684 112.8043 26.99403 37.23833       30.96795 
1 1 1 15  4   17 o 288.5366 10.97925 2017.541       151.1780 2171.009       183.2601 1690.641       267.4655 298.5741 12.86851 258.9142 21.81004 39.65985       25.32344 
1 1 1 15  4   18 o 195.9400 19.26615 961.9568       178.1474 1042.901       214.5652 782.3364       319.6274 202.4232 22.55391 164.0310 40.90019 38.39224       46.70658 
1 1 1 15  4   19 o 172.2876 23.70815 764.5444       190.1089 672.7563       223.2119 1007.002       362.7791 157.7499 30.70152 185.5030 41.89861 -27.75305      51.94302 
1 1 1 15  4   20 o 98.15224 32.93159 254.0385       182.2095 224.1222       206.3000 360.1594       388.5491 95.32657 34.80346 118.3353 46.65396 -23.00870      58.20543 
1 1 1 15  4   21 o 220.6555 15.91233 1203.388       166.7363 1354.475       204.9228 907.4268       286.8092 232.8162 18.56428 180.9006 34.41954 51.91566       39.10674 
1 1 1 15  4   22 o 95.89124 31.17563 245.7850       163.7082 208.3429       226.2546 286.9260       237.1675 94.26860 36.02899 103.9771 37.40669 -9.708519      51.93601 
1 1 1 15  4   23 o 65.18724 28.89493 -19.78879      178.8376 137.3525       274.8400 -135.1816      235.5181 90.68600 37.91128 66.42673 30.85258 24.25926       48.87890 
1 1 1 15  4   24 o 172.7575 21.35316 771.0731       172.6127 879.3704       231.6273 635.8146       258.8589 180.2917 27.76191 146.1819 37.00943 34.10974       46.26469 
1 1 1 15  4   25 o 115.4204 33.52571 389.1235       195.9162 322.7101       224.3041 602.8138       402.3480 105.4214 36.51381 132.2592 48.55311 -26.83779      60.75082 
1 1 1 15  4   26 o 136.5786 33.15648 546.8562       214.2966 802.2801       386.3970 433.3924       257.5323 150.7086 47.79013 117.8522 39.14287 32.85645       61.77427 
1 1 1 15  4   27 o 60.96719 28.46071 -118.6887      204.4704 -274.6863      384.2802 -57.08111      241.4939 76.17147 36.54712 70.12615 32.08692 6.045319       48.63396 
1 1 1 15  4   28 o 58.39285 27.36864 -116.0914      192.2567 -198.2260      230.8446 69.85751       347.3390 59.91791 28.63497 86.31408 39.09776 -26.39617      48.46232 
1 1 1 15  4   29 o 84.21551 34.15749 188.2945       214.3852 237.8928       247.2372 37.97716       430.4125 90.35780 36.66942 87.11080 40.86742 3.247002       54.90712 
1 1 1 15  4   30 o 69.79482 31.46967 26.72694       221.9985 -221.9595      428.5142 117.9581       259.5439 76.04311 36.99012 79.41304 35.02281 -3.369934      50.93983 
1 1 1 15  4   31 o 51.69164 24.96405 -185.0631      186.2927 -714.8817      267.7912 311.7960       259.3280 47.05285 23.82740 93.51261 37.69695 -46.45976      44.59602 
1 1 1 15  4   32 o 51.82784 25.62805 -322.7848      233.7887 -280.4257      273.8775 -436.5456      448.8271 57.83145 28.43144 67.51136 33.72944 -9.679913      44.11374 
1 1 1 15  4   33 o 77.11613 33.89884 189.5613       241.3108 -64.55402      487.1905 272.1711       277.7788 74.85828 37.01252 83.37735 36.51891 -8.519073      51.99574 
1 1 1 15  5   0  o 372.3221 7.690413 3328.865       136.8916 0.000000       0.000000 3328.865       136.8916 ?        ?        372.3221 7.690413 0.000000       7.690413 
1 1 1 15  5   1  o 291.4795 7.979100 2042.284       111.0865 0.000000       0.000000 2042.284       111.0865 ?        ?        291.4795 7.979100 0.000000       7.979100 
1 1 1 15  5   2  o 180.0591 8.547542 781.0243       73.37074 0.000000       0.000000 781.0243       73.37074 ?        ?        180.0591 8.547542 0.000000       8.547542 
1 1 1 15  5   3  o 221.4195 8.827584 1180.686       93.25984 0.000000       0.000000 1180.686       93.25984 ?        ?        221.4195 8.827584 0.000000       8.827584 
1 1 1 15  5   4  o 85.67690 12.97840 181.5426       51.49819 0.000000       0.000000 181.5426       51.49819 ?        ?        85.67690 12.97840 0.000000       12.97840 
1 1 1 15  5   5  o 229.6232 8.214757 1268.421       90.03650 0.000000       0.000000 1268.421       90.03650 ?        ?        229.6232 8.214757 0.000000       8.214757 
1 1 1 15  5   6  f 209.0404 8.301266 1051.653       82.79775 0.000000       0.000000 1051.653       82.79775 ?        ?        209.0404 8.301266 0.000000       8.301266 
1 1 1 15  5   7  o 169.5426 8.446363 692.5421       68.24759 0.000000       0.000000 692.5421       68.24759 ?        ?        169.5426 8.446363 0.000000       8.446363 
1 1 1 15  5   8  o 173.5723 8.908320 726.4326       73.67656 0.000000       0.000000 726.4326       73.67656 ?        ?        173.5723 8.908320 0.000000       8.908320 
1 1 1 15  5   9  o 240.5461 8.485944 1392.587       97.43745 0.000000       0.000000 1392.587       97.43745 ?        ?        240.5461 8.485944 0.000000       8.485944 
1 1 1 15  5   10 o 77.93175 11.83505 149.9878       42.71081 0.000000       0.000000 149.9878       42.71081 ?        ?        77.93175 11.83505 0.000000       11.83505 
1 1 1 15  5   11 o 143.9679 9.988710 501.7669       68.32541 0.000000       0.000000 501.7669       68.32541 ?        ?        143.9679 9.988710 0.000000       9.988710 
1 1 1 15  5   12 o 294.8682 6.954008 2086.698       98.03282 2264.081       161.3794 1982.960       123.4135 306.0292 11.04816 286.9216 9.008027 19.10764       14.25505 
1 1 1 15  5   13 o 180.1324 11.07102 786.5626       94.88219 937.4572       117.8790 508.9211       159.8975 196.3201 12.62617 140.5598 24.69500 55.76039       27.73559 
1 1 1 15  5   14 o 72.02276 20.89931 131.6519       76.16827 236.7119       98.50796 -24.54588      120.1130 95.72997 21.98742 54.03444 23.82807 41.69554       32.42258 
1 1 1 15  5   15 o 131.9665 16.82356 433.0996       103.7326 471.2164       119.7290 318.3576       207.7316 137.1216 18.75450 109.3521 35.08114 27.76948       39.77961 
1 1 1 15  5   16 o 46.84029 21.09421 -42.44423      99.40065 -75.05280      112.8404 70.50645       210.0116 47.24635 21.73440 79.62688 33.20276 -32.38054      39.68385 
1 1 1 15  5   17 o 78.73727 28.60579 140.2653       139.1253 151.9843       188.0647 126.0996       206.7682 85.55793 32.81084 84.67323 33.82274 0.8846970      47.12249 
1 1 1 15  5   18 o 47.65865 22.06111 -86.89265      118.8955 -86.89265      118.8955 0.000000       0.000000 47.65865 22.06111 ?        ?        0.000000       22.06111 
1 1 1 15  5   19 o 320.0323 14.66780 2509.342       223.8262 2431.622       266.8823 2693.628       410.9619 313.1742 17.89938 322.6111 26.88916 -9.436890      32.30193 
1 1 1 15  5   20 o 94.15359 33.29070 223.5427       187.0494 151.1481       219.2458 417.1711       358.5607 88.06669 34.94276 122.4759 45.67488 -34.40920      57.50819 
1 1 1 15  5   21 o 92.76044 25.92500 228.1603       119.4046 67.98277       144.0936 579.2042       213.3166 68.93819 27.98787 145.4994 31.57461 -76.56123      42.19333 
1 1 1 15  5   22 o 50.24593 23.67678 -139.6205      147.2975 -45.05791      211.2730 -229.0584      205.4685 69.11537 30.96931 56.71995 27.08159 12.39542       41.14014 
1 1 1 15  5   23 f 98.22257 25.85791 258.7303       123.0671 207.7111       148.8755 368.8286       218.6988 89.20525 29.76458 114.0782 35.92554 -24.87297      46.65377 
1 1 1 15  5   24 o 247.1564 16.51140 1522.004       193.9841 1595.341       242.7018 1392.286       322.7831 250.4032 20.45129 225.6178 30.72199 24.78537       36.90659 
1 1 1 15  5   25 o 84.78618 31.23968 178.8656       166.8137 238.9066       209.8990 75.92849       274.8351 95.02312 35.03716 84.66592 36.71398 10.35721       50.74957 
1 1 1 15  5   26 o 178.6761 27.01913 867.4065       223.6050 909.7957       253.2044 717.2339       476.5836 180.2606 30.46516 138.4104 52.43457 41.85011       60.64248 
1 1 1 15  5   27 o 142.6203 52.95046 798.2567       480.8616 0.000000       0.000000 798.2567       480.8616 ?        ?        142.6203 52.95046 0.000000       52.95046 
1 1 1 15  5   28 o 147.9843 42.43681 740.7080       315.7871 1000.841       418.7437 397.6875       480.8511 163.1900 49.42670 112.0211 48.56934 51.16898       69.29632 
1 1 1 15  5   29 o 103.6612 33.71747 337.0616       191.4796 276.8174       261.1565 407.0977       281.5817 95.70743 38.08395 108.7224 40.48972 -13.01494      55.58601 
1 1 1 15  5   30 o 104.3430 33.79775 356.0986       192.5061 -14.94507      256.1580 837.5822       291.8006 71.07990 32.71600 155.0418 39.31634 -83.96188      51.14793 
1 1 1 15  5   31 f 66.67972 30.74363 -22.51006      227.5848 13.06960       258.7316 -144.1725      478.4393 71.89573 33.01393 80.37486 39.09459 -8.479126      51.16940 
1 1 1 15  5   32 o 84.29787 35.30082 229.6381       238.9065 221.7579       274.0965 254.5527       487.3729 84.29587 36.60831 89.55961 42.46007 -5.263741      56.06269 
1 1 1 15  5   33 o 64.88887 29.49466 42.73054       199.7676 -34.36428      279.4618 123.2879       285.6686 66.94369 31.85667 75.21661 34.59420 -8.272926      47.02771 
1 1 1 15  6   0  o 367.8246 7.788851 3248.795       136.9691 0.000000       0.000000 3248.795       136.9691 ?        ?        367.8246 7.788851 0.000000       7.788851 
1 1 1 15  6   1  o 327.5631 7.764446 2576.351       121.5945 0.000000       0.000000 2576.351       121.5945 ?        ?        327.5631 7.764446 0.000000       7.764446 
1 1 1 15  6   2  o 233.3616 9.182432 1311.855       102.2461 0.000000       0.000000 1311.855       102.2461 ?        ?        233.3616 9.182432 0.000000       9.182432 
1 1 1 15  6   3  o 90.82327 11.68124 202.3262       49.54865 0.000000       0.000000 202.3262       49.54865 ?        ?        90.82327 11.68124 0.000000       11.68124 
1 1 1 15  6   4  o 153.2162 9.240931 566.6830       67.37602 0.000000       0.000000 566.6830       67.37602 ?        ?        153.2162 9.240931 0.000000       9.240931 
1 1 1 15  6   5  o 39.72917 14.95215 28.43765       38.60826 0.000000       0.000000 28.43765       38.60826 ?        ?        39.72917 14.95215 0.000000       14.95215 
1 1 1 15  6   6  o 167.3928 9.310063 676.1223       74.21358 0.000000       0.000000 676.1223       74.21358 ?        ?        167.3928 9.310063 0.000000       9.310063 
1 1 1 15  6   7  o 189.5170 10.34818 867.8864       93.40488 0.000000       0.000000 867.8864       93.40488 ?        ?        189.5170 10.34818 0.000000       10.34818 
1 1 1 15  6   8  o 295.3391 8.009908 2096.580       112.9941 0.000000       0.000000 2096.580       112.9941 ?        ?        295.3391 8.009908 0.000000       8.009908 
1 1 1 15  6   9  o 239.4397 8.379598 1379.401       95.77620 0.000000       0.000000 1379.401       95.77620 ?        ?        239.4397 8.379598 0.000000       8.379598 
1 1 1 15  6   10 o 142.3920 9.464498 490.0995       64.06480 0.000000       0.000000 490.0995       64.06480 ?        ?        142.3920 9.464498 0.000000       9.464498 
1 1 1 15  6   11 o 250.0587 8.833438 1505.615       105.4381 0.000000       0.000000 1505.615       105.4381 ?        ?        250.0587 8.833438 0.000000       8.833438 
1 1 1 15  6   12 o 226.5748 7.389108 1233.776       79.93385 1390.739       137.6711 1153.952       98.17729 239.5304 12.06073 218.7463 9.409768 20.78412       15.29722 
1 1 1 15  6   13 o 103.1659 19.92594 270.7831       94.72145 249.4253       105.7905 357.1212       212.7012 98.20393 22.94772 115.3998 35.28241 -17.19587      42.08856 
1 1 1 15  6   14 o 43.43335 19.69235 -46.03320      88.36160 -3.199698      96.16047 -278.4303      223.9856 50.65294 21.84010 58.40207 27.98984 -7.749130      35.50241 
1 1 1 15  6   15 o 337.4013 11.33992 2754.674       182.6618 2582.970       209.3809 3301.589       373.6861 325.8920 13.46765 363.7862 21.58284 -37.89420      25.44006 
1 1 1 15  6   16 o 108.3618 28.31093 311.5866       148.2575 283.5320       169.9994 400.7038       302.9887 103.4839 31.52363 121.7969 42.42329 -18.31301      52.85333 
1 1 1 15  6   17 o 190.8373 14.72733 893.3149       133.3291 705.8317       166.3709 1229.875       222.9088 167.1236 21.30622 221.2266 21.34022 -54.10300      30.15560 
1 1 1 15  6   18 o 214.4532 17.99189 1141.664       182.7675 1198.558       200.0115 853.7377       449.9470 219.1721 19.28448 164.9837 51.46882 54.18842       54.96300 
1 1 1 15  6   19 o 112.7394 24.07866 332.7197       125.8374 297.8281       143.9088 446.0624       259.3723 105.4841 28.05216 125.4596 39.06785 -19.97557      48.09595 
1 1 1 15  6   20 o 73.21696 31.51471 24.22205       199.5588 -49.32460      227.5794 268.9365       415.1272 71.67648 32.12762 113.3186 46.91731 -41.64213      56.86315 
1 1 1 15  6   21 o 89.72716 28.16682 210.9488       134.5402 245.5026       143.0291 -54.49921      396.4301 95.95155 28.84884 92.00750 41.71365 3.944054       50.71770 
1 1 1 15  6   22 o 120.0259 30.57968 394.2665       175.9462 325.4503       247.7345 464.3085       249.9310 109.5841 38.34766 127.2341 38.10804 -17.64997      54.06261 
1 1 1 15  6   23 o 294.7527 15.47348 2141.415       217.2854 1990.824       277.6836 2379.240       348.9635 280.7574 20.83614 304.2888 24.18640 -23.53143      31.92376 
1 1 1 15  6   24 o 268.0149 15.89058 1779.479       202.6998 1890.721       262.4747 1615.101       319.0606 273.3752 20.22585 246.9203 27.49338 26.45491       34.13167 
1 1 1 15  6   25 o 80.43950 28.00766 164.4527       132.0536 182.6870       158.4992 123.0706       238.7743 84.97744 30.57878 85.21670 35.45815 -0.2392578     46.82245 
1 1 1 15  6   26 o 109.8789 27.62553 335.0758       144.9481 253.1470       176.3453 505.7107       254.4953 95.51409 32.39746 128.3636 38.45631 -32.84953      50.28403 
1 1 1 15  6   27 o 172.6057 23.44412 789.3588       188.4664 1133.361       257.7238 393.9523       276.3094 204.1262 27.07582 112.8286 40.40179 91.29762       48.63543 
1 1 1 15  6   28 o 90.20699 33.31819 220.9554       189.9475 420.7480       245.4335 -77.44157      299.9447 115.6416 38.20527 75.95313 35.11691 39.68848       51.89257 
1 1 1 15  6   29 o 87.70190 36.50427 181.6606       253.1915 305.7527       426.8790 114.3133       314.4797 103.3314 45.26454 86.68317 38.37536 16.64819       59.34262 
1 1 1 15  6   30 o 101.1283 35.06722 333.0965       206.9099 208.3426       273.5889 499.7964       316.2562 88.61087 37.47906 114.5549 42.86071 -25.94400      56.93610 
1 1 1 15  6   31 o 69.73325 32.40663 -34.87010      260.4087 -328.6739      463.6551 100.5144       314.7391 75.23795 36.98972 81.54253 37.04765 -6.304573      52.35234 
1 1 1 15  6   32 o 70.50311 32.39704 19.50327       249.7507 13.33254       282.7573 41.40225       532.6689 72.82307 33.81726 85.86890 41.64711 -13.04582      53.64783 
1 1 1 15  6   33 o 82.20465 38.20126 192.5654       361.8217 -72.62794      491.4582 506.4234       534.6529 77.29308 38.01640 94.59691 44.73665 -17.30383      58.70787 
1 1 1 15  7   0  o 142.8480 10.96225 494.8747       74.29353 0.000000       0.000000 494.8747       74.29353 ?        ?        142.8480 10.96225 0.000000       10.96225 
1 1 1 15  7   1  o 238.5179 8.671502 1369.136       98.71890 0.000000       0.000000 1369.136       98.71890 ?        ?        238.5179 8.671502 0.000000       8.671502 
1 1 1 15  7   2  o 73.07551 17.28443 135.4802       59.43336 0.000000       0.000000 135.4802       59.43336 ?        ?        73.07551 17.28443 0.000000       17.28443 
1 1 1 15  7   3  o 73.49091 15.36021 136.0148       52.22758 0.000000       0.000000 136.0148       52.22758 ?        ?        73.49091 15.36021 0.000000       15.36021 
1 1 1 15  7   4  o 228.8912 8.937821 1261.439       97.61880 0.000000       0.000000 1261.439       97.61880 ?        ?        228.8912 8.937821 0.000000       8.937821 
1 1 1 15  7   5  o 166.3804 9.382603 667.9859       74.33109 0.000000       0.000000 667.9859       74.33109 ?        ?        166.3804 9.382603 0.000000       9.382603 
1 1 1 15  7   6  f 166.6745 9.629379 670.6899       76.40520 0.000000       0.000000 670.6899       76.40520 ?        ?        166.6745 9.629379 0.000000       9.629379 
1 1 1 15  7   7  o 107.4171 11.95351 281.9967       60.34850 0.000000       0.000000 281.9967       60.34850 ?        ?        107.4171 11.95351 0.000000       11.95351 
1 1 1 15  7   8  f 304.5064 8.469399 2229.843       123.1786 0.000000       0.000000 2229.843       123.1786 ?        ?        304.5064 8.469399 0.000000       8.469399 
1 1 1 15  7   9  o 265.0510 8.826186 1690.855       111.6875 0.000000       0.000000 1690.855       111.6875 ?        ?        265.0510 8.826186 0.000000       8.826186 
1 1 1 15  7   10 o 133.8197 11.35835 435.2252       71.98219 0.000000       0.000000 435.2252       71.98219 ?        ?        133.8197 11.35835 0.000000       11.35835 
1 1 1 15  7   11 o 235.0920 8.808980 1330.793       98.83322 0.000000       0.000000 1330.793       98.83322 ?        ?        235.0920 8.808980 0.000000       8.808980 
1 1 1 15  7   12 o 393.2281 7.836594 3713.915       147.3263 3957.047       393.6437 3674.311       158.8728 399.8117 20.66406 390.9624 8.499748 8.849243       22.34388 
1 1 1 15  7   13 o 246.8551 13.58204 1482.363       159.6756 1672.857       209.2567 1216.845       247.0508 261.0904 16.85414 219.5482 23.92336 41.54219       29.26413 
1 1 1 15  7   14 o 214.2055 13.26996 1116.809       135.2294 1271.559       166.9978 822.0664       230.4714 227.9250 15.41605 178.0533 27.99754 49.87166       31.96118 
1 1 1 15  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  7   16 o 166.2224 18.57476 688.0366       145.0915 592.1924       172.6085 918.8344       267.8520 151.7788 24.63072 186.3910 31.15703 -34.61215      39.71692 
1 1 1 15  7   17 o 177.8185 23.02802 803.5446       191.1752 777.2893       212.2389 916.4703       440.1630 173.2579 26.46045 173.1744 50.23703 0.8348083E-01  56.77953 
1 1 1 15  7   18 o 300.8977 14.54701 2213.284       208.6472 2149.880       252.4854 2349.825       370.5182 294.8242 17.99861 303.0490 25.81903 -8.224731      31.47336 
1 1 1 15  7   19 o 54.00917 23.88097 -25.46998      121.4221 -38.19810      157.4058 -6.766711      190.8083 60.49027 26.94323 69.32522 30.31784 -8.834949      40.55994 
1 1 1 15  7   20 o 66.18429 26.80070 61.17032       131.7377 68.10914       139.2710 2.186035       406.0562 68.34093 27.59862 96.38079 43.07859 -28.03986      51.16101 
1 1 1 15  7   21 o 95.00379 32.91156 231.4168       182.2336 486.8486       241.2113 -108.2455      278.1530 130.8546 36.94590 75.23428 34.42876 55.62031       50.50088 
1 1 1 15  7   22 o 59.03928 25.20583 13.46168       125.7464 41.30978       142.3626 -85.38063      268.2066 65.44096 27.31601 75.11355 34.15525 -9.672585      43.73495 
1 1 1 15  7   23 o 88.63587 29.74907 202.3830       148.6925 179.8716       157.2088 393.4341       457.9838 85.68230 30.49769 122.7986 49.88116 -37.11630      58.46571 
1 1 1 15  7   24 o 91.80438 32.87704 213.7776       182.9752 362.6653       253.1691 50.95514       264.7515 113.1417 38.80864 83.26245 36.07003 29.87921       52.98262 
1 1 1 15  7   25 o 171.6434 24.79138 777.4438       197.5521 1060.754       267.1510 435.5851       293.4603 197.6101 29.15183 120.0202 41.75417 77.58993       50.92387 
1 1 1 15  7   26 o 92.85840 33.88785 227.7793       195.5575 231.5421       270.7688 223.6766       282.7395 97.30493 38.75916 97.27995 39.30971 0.2498627E-01  55.20440 
1 1 1 15  7   27 o 118.3852 27.21896 388.8562       150.8319 487.8742       182.3524 174.3579       268.3899 131.3471 29.73381 91.01406 37.70746 40.33308       48.02033 
1 1 1 15  7   28 o 169.0562 21.27651 747.4095       168.1647 617.3316       209.0184 986.1307       283.1574 146.8316 30.76185 184.0182 33.41578 -37.18658      45.41922 
1 1 1 15  7   29 o 194.0625 22.75710 1004.929       207.1317 1150.073       282.2694 835.5857       304.8941 200.0575 30.47328 159.9372 39.98476 40.12027       50.27327 
1 1 1 15  7   30 o 111.1777 37.79437 419.1849       240.0052 107.3209       438.8029 552.3062       286.6889 91.17207 42.26544 123.5140 41.30596 -32.34197      59.09780 
1 1 1 15  7   31 o 55.64384 26.70929 -179.2301      205.7330 -317.7938      265.0592 30.75134       326.2937 57.99486 28.40058 78.90639 36.53303 -20.91153      46.27370 
1 1 1 15  7   32 o 71.42949 33.22115 -11.14920      274.5055 409.3024       475.0618 -221.9010      336.3394 99.18381 45.23811 67.87344 32.95978 31.31037       55.97172 
1 1 1 15  7   33 o 69.79194 31.45189 70.17126       221.4145 190.0028       291.2665 -93.87129      340.7873 81.27814 36.39516 70.25453 33.88807 11.02361       49.72935 
1 1 1 15  7   34 o 95.35458 42.82241 530.6503       406.4374 734.8308       590.1163 346.3859       560.5977 96.07375 45.87812 85.86964 41.88972 10.20411       62.12528 
1 1 1 15  8   0  o 175.6354 11.09065 746.8025       92.65184 0.000000       0.000000 746.8025       92.65184 ?        ?        175.6354 11.09065 0.000000       11.09065 
1 1 1 15  8   1  o 203.0235 9.889320 994.4946       95.70015 0.000000       0.000000 994.4946       95.70015 ?        ?        203.0235 9.889320 0.000000       9.889320 
1 1 1 15  8   2  o 98.27062 13.02709 237.5463       59.69781 0.000000       0.000000 237.5463       59.69781 ?        ?        98.27062 13.02709 0.000000       13.02709 
1 1 1 15  8   3  o 51.19778 15.87062 63.61851       42.85691 0.000000       0.000000 63.61851       42.85691 ?        ?        51.19778 15.87062 0.000000       15.87062 
1 1 1 15  8   4  o 224.4204 9.394399 1213.529       100.5723 0.000000       0.000000 1213.529       100.5723 ?        ?        224.4204 9.394399 0.000000       9.394399 
1 1 1 15  8   5  o 95.99980 13.92591 227.7554       62.05124 0.000000       0.000000 227.7554       62.05124 ?        ?        95.99980 13.92591 0.000000       13.92591 
1 1 1 15  8   6  o 202.5325 9.359579 988.7138       90.38235 0.000000       0.000000 988.7138       90.38235 ?        ?        202.5325 9.359579 0.000000       9.359579 
1 1 1 15  8   7  f 137.5736 11.56114 459.8698       75.33753 0.000000       0.000000 459.8698       75.33753 ?        ?        137.5736 11.56114 0.000000       11.56114 
1 1 1 15  8   8  o 217.1418 11.19231 1140.228       115.7987 0.000000       0.000000 1140.228       115.7987 ?        ?        217.1418 11.19231 0.000000       11.19231 
1 1 1 15  8   9  f 335.0298 13.55218 2723.406       216.6226 0.000000       0.000000 2723.406       216.6226 ?        ?        335.0298 13.55218 0.000000       13.55218 
1 1 1 15  8   10 o 149.9033 11.77985 545.9106       83.74490 0.000000       0.000000 545.9106       83.74490 ?        ?        149.9033 11.77985 0.000000       11.77985 
1 1 1 15  8   11 o 171.9939 10.77497 716.0300       88.15559 0.000000       0.000000 716.0300       88.15559 ?        ?        171.9939 10.77497 0.000000       10.77497 
1 1 1 15  8   12 o 435.8138 10.81053 4580.870       225.2455 0.000000       0.000000 4580.870       225.2455 ?        ?        435.8138 10.81053 0.000000       10.81053 
1 1 1 15  8   13 o 268.1056 18.25100 1770.746       232.5432 1770.746       232.5432 0.000000       0.000000 268.1056 18.25100 ?        ?        0.000000       18.25100 
1 1 1 15  8   14 o 172.1779 15.66953 728.3591       127.5742 793.3380       163.2820 626.5340       204.3996 178.4978 19.44775 154.7699 28.67979 23.72794       34.65177 
1 1 1 15  8   15 o 79.81029 26.46253 156.2168       117.7162 133.7289       152.3184 189.5671       185.4927 79.70517 29.76058 90.73986 33.02101 -11.03469      44.45311 
1 1 1 15  8   16 o 118.9762 18.04888 355.0389       99.44576 270.1713       114.1061 623.1200       202.8014 101.9219 23.84354 154.0842 28.58202 -52.16234      37.22159 
1 1 1 15  8   17 o 248.1931 14.19063 1503.841       167.6818 1505.756       211.7584 1500.620       274.5684 246.7687 18.07445 243.3721 23.90596 3.396652       29.96966 
1 1 1 15  8   18 o 251.0706 17.24585 1556.054       205.7514 1551.730       229.0542 1574.121       468.1982 249.7151 19.33659 234.4559 43.36650 15.25912       47.48218 
1 1 1 15  8   19 o 149.7520 29.64635 598.9316       204.7386 322.8109       227.9029 1753.845       466.0958 109.6814 36.83036 249.4885 40.46133 -139.8071      54.71375 
1 1 1 15  8   20 o 60.80981 25.13826 37.89771       118.9234 3.787534       144.6815 108.9458       208.8080 61.91970 26.74415 82.77761 33.66010 -20.85791      42.99130 
1 1 1 15  8   21 o 118.1419 34.40400 388.1754       206.0793 421.8947       252.8244 321.4197       355.7332 121.9835 38.65430 114.0131 44.73413 7.970390       59.12104 
1 1 1 15  8   22 o 75.19495 27.31277 128.6965       126.8226 74.13587       159.0380 223.9880       210.1786 72.01286 29.34117 95.59215 35.09222 -23.57928      45.74241 
1 1 1 15  8   23 f 66.26951 29.68216 -45.05453      193.8638 114.5044       252.5280 -274.0489      302.5251 87.71552 36.47878 70.04416 33.27864 17.67136       49.37782 
1 1 1 15  8   24 o 162.2817 32.74260 730.1498       245.2622 790.2026       279.1091 526.6161       513.8375 166.6101 36.08611 132.1395 53.13514 34.47067       64.23045 
1 1 1 15  8   25 o 116.1791 35.21172 389.8693       212.4704 333.1374       287.5168 458.1243       315.3677 109.3630 40.87728 122.6965 43.24066 -13.33347      59.50384 
1 1 1 15  8   26 o 121.2615 33.83653 428.0405       203.5761 461.2429       285.2359 393.5680       290.6402 122.0698 41.20433 114.4537 41.37874 7.616074       58.39518 
1 1 1 15  8   27 f 80.69311 32.90351 125.2453       200.1882 122.5931       273.2767 128.3167       294.0847 87.28047 37.20741 89.46601 38.37917 -2.185539      53.45420 
1 1 1 15  8   28 o 115.3656 35.54336 403.5640       215.3426 486.9706       298.6951 313.2932       310.7430 122.0659 42.14281 104.6364 41.57321 17.42950       59.19754 
1 1 1 15  8   29 o 189.2978 21.28859 942.3155       189.3281 1167.779       229.4904 461.8495       335.0100 209.0518 23.36046 116.1380 43.96996 92.91376       49.79024 
1 1 1 15  8   30 f 96.51783 32.81443 286.4552       180.9245 214.5490       195.6516 710.8688       475.3297 87.09055 33.44892 125.4202 50.86437 -38.32970      60.87704 
1 1 1 15  8   31 o 70.38458 33.41528 -115.7477      303.8858 -285.9929      390.0124 147.3172       484.8109 71.69759 34.96819 91.74422 43.14555 -20.04663      55.53659 
1 1 1 15  8   32 o 55.76473 26.57845 -139.0476      196.0873 166.2641       265.2259 -507.1141      291.2108 82.20516 35.85146 54.86941 27.37546 27.33575       45.10812 
1 1 1 15  8   33 o 66.63922 31.64225 -66.75206      272.7081 514.8779       540.1969 -265.6807      315.9202 97.53331 45.76553 62.88782 30.83993 34.64549       55.18682 
1 1 1 15  8   34 o 118.9858 38.61956 601.6412       251.2783 818.1664       355.6302 385.7700       355.0927 121.9841 45.48857 89.78015 40.19511 32.20399       60.70302 
1 1 1 15  9   0  o 219.5038 7.571713 1157.853       79.34029 1111.396       113.1596 1202.773       111.2724 214.4035 11.07711 223.1996 10.45670 -8.796188      15.23302 
1 1 1 15  9   1  o 450.1834 17.01747 4950.658       365.6035 0.000000       0.000000 4950.658       365.6035 ?        ?        450.1834 17.01747 0.000000       17.01747 
1 1 1 15  9   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9   5  o 154.5374 14.25911 583.7330       104.1626 0.000000       0.000000 583.7330       104.1626 ?        ?        154.5374 14.25911 0.000000       14.25911 
1 1 1 15  9   6  o 93.94662 18.44005 223.0631       79.86472 0.000000       0.000000 223.0631       79.86472 ?        ?        93.94662 18.44005 0.000000       18.44005 
1 1 1 15  9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9   10 o 232.3110 10.15581 1302.306       112.5232 0.000000       0.000000 1302.306       112.5232 ?        ?        232.3110 10.15581 0.000000       10.15581 
1 1 1 15  9   11 o 362.8932 14.36618 3201.348       248.7537 0.000000       0.000000 3201.348       248.7537 ?        ?        362.8932 14.36618 0.000000       14.36618 
1 1 1 15  9   12 o 280.9812 10.12068 1904.418       135.7330 0.000000       0.000000 1904.418       135.7330 ?        ?        280.9812 10.12068 0.000000       10.12068 
1 1 1 15  9   13 o 152.1778 10.83936 561.4294       78.34495 589.2551       133.8315 546.9223       96.63332 153.9186 18.56119 149.5730 13.66418 4.345627       23.04837 
1 1 1 15  9   14 o 80.59034 27.78068 154.3555       129.7794 223.2851       161.8515 30.23112       217.1913 94.05888 31.02307 77.50182 33.10831 16.55706       45.37170 
1 1 1 15  9   15 o 226.4348 13.76115 1249.437       148.2693 1321.032       186.9662 1128.108       243.3890 231.7171 16.99528 210.7486 24.61944 20.96844       29.91582 
1 1 1 15  9   16 o 236.8229 13.88615 1367.415       156.5323 1474.560       197.5556 1186.682       256.5800 244.7917 16.98581 215.6682 25.36913 29.12347       30.53048 
1 1 1 15  9   17 f 91.66181 30.20943 213.2734       153.4832 131.3281       172.3184 527.8476       337.6223 81.54772 31.37276 135.9634 44.80488 -54.41570      54.69669 
1 1 1 15  9   18 o 223.7697 17.85164 1240.161       189.3977 992.5220       221.4499 1914.735       365.4944 197.2595 23.97328 271.5510 28.58078 -74.29149      37.30387 
1 1 1 15  9   19 o 208.7509 15.62925 1072.566       154.8498 975.8146       192.4113 1250.428       260.8807 196.9093 20.75042 220.6853 25.17618 -23.77596      32.62545 
1 1 1 15  9   20 o 152.1005 26.50832 606.8462       185.7587 565.4558       237.3172 672.3218       298.4827 142.3778 35.09247 152.4004 40.34064 -10.02263      53.46820 
1 1 1 15  9   21 o 64.47227 27.22583 29.53179       143.9946 6.683445       150.5139 276.2781       494.6231 63.24208 27.29642 118.1538 50.20175 -54.91168      57.14289 
1 1 1 15  9   22 o 91.36960 32.13556 209.4437       174.1183 292.3992       264.1179 145.6783       231.5622 106.5659 39.30106 88.70844 35.67030 17.85742       53.07489 
1 1 1 15  9   23 o 170.8503 24.04231 755.4189       190.9568 749.1993       285.5153 760.4526       256.8595 161.7946 37.62486 165.8033 33.55678 -4.008774      50.41515 
1 1 1 15  9   24 o 363.8375 17.28315 3287.465       299.7749 3711.239       409.3172 2797.190       440.2637 381.7139 22.52938 325.1740 28.61116 56.53989       36.41664 
1 1 1 15  9   25 o 212.2817 19.01848 1138.862       190.9745 1117.916       224.8101 1193.164       361.9680 207.7594 23.01899 201.3913 39.00352 6.368149       45.28961 
1 1 1 15  9   26 o 56.89640 25.83187 -56.51641      152.6864 37.01204       171.7745 -408.5770      333.2695 68.67342 29.39299 67.37086 32.73723 1.302559       43.99630 
1 1 1 15  9   27 o 215.9227 21.89863 1212.497       222.9371 1104.945       242.5629 1797.611       565.7615 203.1902 25.53202 223.3150 53.66143 -20.12480      59.42587 
1 1 1 15  9   28 o 73.85047 29.61134 107.0055       159.0980 104.3028       166.3897 135.8301       543.3895 74.36301 30.11728 103.9971 47.78750 -29.63409      56.48625 
1 1 1 15  9   29 o 73.52135 32.14799 44.69068       214.4680 136.7360       294.7675 -58.84637      312.6270 88.04683 38.10137 77.62394 35.87606 10.42289       52.33360 
1 1 1 15  9   30 f 155.2644 25.28444 672.5902       181.2343 639.1060       214.0918 757.2605       340.4439 145.4549 31.68538 141.5694 44.85432 3.885468       54.91696 
1 1 1 15  9   31 o 83.35092 31.34859 203.0679       169.6495 364.6069       196.2284 -275.0208      337.5806 105.0424 34.13055 67.53829 32.84819 37.50416       47.36980 
1 1 1 15  9   32 o 74.74577 32.68155 102.8406       221.6190 -21.19710      335.6040 198.7565       295.1180 75.89610 35.75593 85.78820 37.60631 -9.892097      51.89144 
1 1 1 15  9   33 o 63.14180 28.13541 37.83760       171.8194 -86.75322      204.3111 338.8055       317.5477 58.59005 27.69235 92.34620 39.75137 -33.75615      48.44624 
1 1 1 15  9   34 o 92.67026 37.97612 377.4096       268.3174 552.9960       460.3389 287.0621       330.2101 95.08860 43.79949 84.68028 38.26247 10.40832       58.15851 
1 1 1 15  10  0  o 213.1687 8.296955 1093.271       84.39574 1155.498       124.3518 1040.132       114.9134 218.4173 11.95406 207.2649 11.64357 11.15236       16.68749 
1 1 1 15  10  1  o 417.8227 8.248263 4193.368       164.7642 0.000000       0.000000 4193.368       164.7642 ?        ?        417.8227 8.248263 0.000000       8.248263 
1 1 1 15  10  2  o 264.5216 11.79137 1692.276       148.7444 0.000000       0.000000 1692.276       148.7444 ?        ?        264.5216 11.79137 0.000000       11.79137 
1 1 1 15  10  3  o 203.0203 10.51528 995.5300       101.7153 0.000000       0.000000 995.5300       101.7153 ?        ?        203.0203 10.51528 0.000000       10.51528 
1 1 1 15  10  4  o 304.9672 12.09225 2249.512       175.9571 0.000000       0.000000 2249.512       175.9571 ?        ?        304.9672 12.09225 0.000000       12.09225 
1 1 1 15  10  5  o 147.2873 11.39359 526.3488       79.60622 0.000000       0.000000 526.3488       79.60622 ?        ?        147.2873 11.39359 0.000000       11.39359 
1 1 1 15  10  6  o 277.1404 12.60798 1860.386       166.6153 0.000000       0.000000 1860.386       166.6153 ?        ?        277.1404 12.60798 0.000000       12.60798 
1 1 1 15  10  7  o 265.9801 9.502466 1704.141       120.6412 0.000000       0.000000 1704.141       120.6412 ?        ?        265.9801 9.502466 0.000000       9.502466 
1 1 1 15  10  8  o 177.3216 12.96254 764.6027       109.1314 0.000000       0.000000 764.6027       109.1314 ?        ?        177.3216 12.96254 0.000000       12.96254 
1 1 1 15  10  9  f 191.5779 11.11389 888.1110       101.3564 0.000000       0.000000 888.1110       101.3564 ?        ?        191.5779 11.11389 0.000000       11.11389 
1 1 1 15  10  10 o 282.7571 13.54310 1941.263       182.5473 0.000000       0.000000 1941.263       182.5473 ?        ?        282.7571 13.54310 0.000000       13.54310 
1 1 1 15  10  11 o 167.4380 11.98921 680.7430       95.33868 0.000000       0.000000 680.7430       95.33868 ?        ?        167.4380 11.98921 0.000000       11.98921 
1 1 1 15  10  12 o 161.2827 12.26067 632.4803       93.83046 0.000000       0.000000 632.4803       93.83046 ?        ?        161.2827 12.26067 0.000000       12.26067 
1 1 1 15  10  13 o 346.1607 8.850713 2884.003       146.3551 3156.241       331.5932 2818.139       163.1015 357.5603 19.47107 341.8639 9.989929 15.69635       21.88427 
1 1 1 15  10  14 o 162.9418 11.36512 644.3732       87.98001 581.3054       194.0663 660.6886       98.70617 149.1000 28.25878 164.7135 12.63086 -15.61354      30.95314 
1 1 1 15  10  15 o 129.3767 22.92572 428.5251       136.6133 429.3646       166.8783 426.8195       237.8753 127.6513 28.10632 124.8711 37.12441 2.780258       46.56379 
1 1 1 15  10  16 o 224.0333 15.01834 1228.348       159.9289 1093.447       194.5894 1509.146       280.7430 209.5742 19.65026 244.0301 24.38982 -34.45590      31.32086 
1 1 1 15  10  17 o 78.33113 23.56816 156.4089       95.43404 190.4727       109.2633 46.81469       195.9844 85.81521 25.06857 75.41205 31.79981 10.40316       40.49273 
1 1 1 15  10  18 o 105.6395 23.27695 290.3744       114.3834 321.1442       121.1989 39.63885       345.9744 111.1235 23.54592 93.49693 40.85809 17.62662       47.15712 
1 1 1 15  10  19 o 103.2052 29.54593 285.1167       153.1993 69.36747       213.1602 515.6254       220.3307 79.62404 33.34409 136.7059 33.88344 -57.08185      47.53858 
1 1 1 15  10  20 f 324.3353 16.03371 2588.172       247.8497 2894.494       330.1824 2192.776       375.1286 340.0928 20.40089 290.7276 27.30868 49.36526       34.08754 
1 1 1 15  10  21 o 68.58739 30.77336 -51.56862      209.3627 52.07314       238.0617 -405.3597      439.8409 80.99796 34.63376 82.12402 39.32251 -1.126053      52.39997 
1 1 1 15  10  22 o 101.7263 29.22435 278.7362       149.6317 324.1361       171.1255 131.2975       308.3849 108.9648 31.23689 94.98524 39.96222 13.97961       50.72202 
1 1 1 15  10  23 o 57.49139 26.09926 -66.21583      155.8133 -89.24932      163.0665 175.5595       528.3124 57.16734 26.23544 113.4851 50.01188 -56.31781      56.47554 
1 1 1 15  10  24 o 70.76790 28.02320 88.86337       140.7478 148.9704       172.4781 -30.94201      243.5059 82.43143 31.46890 74.62897 33.35782 7.802452       45.85887 
1 1 1 15  10  25 o 252.2246 17.38894 1592.260       208.4025 2033.732       272.5984 971.3113       323.2953 282.9559 20.28559 181.3927 38.47362 101.5632       43.49396 
1 1 1 15  10  26 o 91.35388 31.21218 225.5030       163.7201 163.2196       178.3011 560.2652       413.3672 83.57439 31.97341 129.3459 48.87107 -45.77148      58.40103 
1 1 1 15  10  27 o 154.6724 25.45910 644.9797       181.7183 570.5007       209.2839 873.1630       366.3202 140.9022 31.82229 161.2342 45.53232 -20.33195      55.55043 
1 1 1 15  10  28 o 162.8347 24.90884 714.4449       187.7593 714.1584       218.0629 715.2664       369.2057 159.1456 29.75381 142.2173 46.85315 16.92830       55.50232 
1 1 1 15  10  29 o 105.5912 32.41788 333.7634       179.3289 349.1227       207.4224 288.3033       356.8509 106.6059 35.11808 101.8915 42.93469 4.714409       55.46771 
1 1 1 15  10  30 o 102.2283 40.00259 347.4806       283.8184 283.7631       325.2018 551.1288       581.3854 97.25272 40.98366 113.6077 51.10150 -16.35499      65.50591 
1 1 1 15  10  31 o 75.84426 30.73639 141.5320       173.4245 193.8852       182.5872 -341.1655      554.4167 82.45074 32.13662 80.70734 39.82619 1.743401       51.17507 
1 1 1 15  10  32 o 73.87048 30.81135 127.4802       180.9256 176.7297       195.5048 -166.2740      477.4728 79.85913 32.53404 79.19550 38.63948 0.6636353      50.51212 
1 1 1 15  10  33 o 64.62892 29.90883 -8.709599      218.3184 135.4934       330.3547 -120.5200      290.8939 80.03053 36.94958 65.84967 31.64750 14.18085       48.65013 
1 1 1 15  10  34 f 75.19645 30.64452 180.1328       173.5232 194.2667       204.7012 144.0434       327.0988 77.11403 32.50740 76.95037 35.94676 0.1636581      48.46546 
1 1 1 15  11  0  o 119.5859 12.01712 348.8470       67.77469 368.1139       96.16203 329.8299       95.53679 121.7121 16.98795 114.8254 17.99364 6.886703       24.74594 
1 1 1 15  11  1  o 36.97058 16.91533 -44.01277      67.10145 0.000000       0.000000 -44.01277      67.10145 ?        ?        36.97058 16.91533 0.000000       16.91533 
1 1 1 15  11  2  o 176.1782 11.55737 752.2002       96.80876 0.000000       0.000000 752.2002       96.80876 ?        ?        176.1782 11.55737 0.000000       11.55737 
1 1 1 15  11  3  o 123.8580 12.68954 374.6565       74.08008 0.000000       0.000000 374.6565       74.08008 ?        ?        123.8580 12.68954 0.000000       12.68954 
1 1 1 15  11  4  o 374.0754 8.958707 3364.082       160.2186 0.000000       0.000000 3364.082       160.2186 ?        ?        374.0754 8.958707 0.000000       8.958707 
1 1 1 15  11  5  o 50.72772 17.34772 58.02659       50.57778 0.000000       0.000000 58.02659       50.57778 ?        ?        50.72772 17.34772 0.000000       17.34772 
1 1 1 15  11  6  f 344.3805 13.68267 2877.189       224.8291 0.000000       0.000000 2877.189       224.8291 ?        ?        344.3805 13.68267 0.000000       13.68267 
1 1 1 15  11  7  o 177.6652 10.66872 763.3725       90.20229 0.000000       0.000000 763.3725       90.20229 ?        ?        177.6652 10.66872 0.000000       10.66872 
1 1 1 15  11  8  o 152.0302 12.83832 562.9315       92.44260 0.000000       0.000000 562.9315       92.44260 ?        ?        152.0302 12.83832 0.000000       12.83832 
1 1 1 15  11  9  f 94.25186 13.69300 219.5607       59.89788 0.000000       0.000000 219.5607       59.89788 ?        ?        94.25186 13.69300 0.000000       13.69300 
1 1 1 15  11  10 o 126.7876 13.35375 393.5057       79.73061 0.000000       0.000000 393.5057       79.73061 ?        ?        126.7876 13.35375 0.000000       13.35375 
1 1 1 15  11  11 o 175.5323 11.28371 746.6725       94.19132 0.000000       0.000000 746.6725       94.19132 ?        ?        175.5323 11.28371 0.000000       11.28371 
1 1 1 15  11  12 o 186.6443 11.62660 844.7109       103.2318 0.000000       0.000000 844.7109       103.2318 ?        ?        186.6443 11.62660 0.000000       11.62660 
1 1 1 15  11  13 o 158.3933 13.18558 612.1389       98.94444 0.000000       0.000000 612.1389       98.94444 ?        ?        158.3933 13.18558 0.000000       13.18558 
1 1 1 15  11  14 o 125.3413 12.87131 384.5114       76.03561 448.6703       129.5764 350.8171       93.90229 133.1396 21.05630 118.6085 17.04897 14.53114       27.09308 
1 1 1 15  11  15 o 209.0486 16.25635 1074.061       161.1959 1031.310       182.6720 1224.479       342.6511 203.8212 18.96381 213.7319 34.72388 -9.910690      39.56481 
1 1 1 15  11  16 o 270.2859 16.03749 1792.019       206.3057 1805.778       235.7566 1747.039       426.2697 270.2671 18.35467 254.4196 36.05366 15.84749       40.45689 
1 1 1 15  11  17 o 84.28352 24.21062 183.7814       102.6996 200.5609       112.7586 102.1244       248.7470 87.85140 25.40950 87.50466 36.28174 0.3467407      44.29455 
1 1 1 15  11  18 o 428.0012 12.14299 4445.350       248.2216 4528.797       285.2202 4184.844       503.9458 431.0319 13.85886 404.3939 26.20693 26.63806       29.64576 
1 1 1 15  11  19 o 185.5155 15.49484 848.1907       136.1741 773.7344       163.3830 1017.586       246.4374 175.4569 19.82403 197.8627 26.73504 -22.40572      33.28295 
1 1 1 15  11  20 o 118.9085 33.13454 389.9604       195.3610 430.3033       226.9461 274.5270       383.8885 123.8442 36.11503 112.1276 45.62310 11.71654       58.18731 
1 1 1 15  11  21 o 69.42002 26.67878 93.02921       124.5196 86.76785       147.6126 108.4776       231.8626 71.94212 28.63051 85.23933 35.15562 -13.29721      45.33899 
1 1 1 15  11  22 o 264.0859 17.76940 1732.611       223.0443 1805.256       261.3359 1537.763       428.0011 267.8987 20.56139 232.0848 40.01855 35.81386       44.99172 
1 1 1 15  11  23 f 95.82749 35.17106 228.1781       211.1060 312.3935       278.8622 115.1268       323.0962 108.8343 40.33877 94.62920 40.40202 14.20512       57.09238 
1 1 1 15  11  24 o 249.5983 23.52030 1606.107       277.3590 81.78019       312.3571 7287.772       603.0456 90.39585 39.16957 532.7374 23.73671 -442.3416      45.80051 
1 1 1 15  11  25 o 210.3618 24.55969 1161.857       242.3587 1078.974       318.4601 1275.926       373.5992 193.5612 35.72940 207.4790 39.09751 -13.91780      52.96419 
1 1 1 15  11  26 o 104.7302 35.00924 315.7034       205.9478 131.0828       317.2612 450.1570       270.7466 92.21864 39.71532 120.8331 40.13459 -28.61443      56.46319 
1 1 1 15  11  27 o 138.6799 38.58086 598.2558       265.0970 566.4882       322.6830 664.2130       464.9593 130.6016 43.82439 133.9413 51.53287 -3.339706      67.64772 
1 1 1 15  11  28 o 95.11845 34.69081 254.0984       204.8878 507.3112       319.2210 76.71038       267.1841 123.0285 43.49104 82.33675 35.94484 40.69177       56.42253 
1 1 1 15  11  29 o 64.30792 28.32411 11.45125       169.2350 62.32191       191.2908 -171.7754      363.0402 71.89404 30.89895 76.79431 36.47699 -4.900269      47.80498 
1 1 1 15  11  30 o 102.1360 32.94526 328.3762       183.0358 317.7337       209.7205 362.3959       374.9594 99.49850 35.24392 102.8536 43.70544 -3.355103      56.14534 
1 1 1 15  11  31 o 61.24060 29.02176 -125.8424      227.2266 -37.22326      241.7856 -795.9265      664.8618 67.82740 31.41913 77.70433 39.12792 -9.876930      50.18123 
1 1 1 15  11  32 o 44.70088 21.57402 -158.5531      138.5862 -169.5535      142.6518 26.22326       584.6508 44.89854 21.72268 87.84171 42.83572 -42.94317      48.02889 
1 1 1 15  11  33 o 103.6901 32.89169 381.0184       183.0195 373.2009       196.6898 431.4652       499.6493 100.8507 34.21519 93.74985 43.99791 7.100838       55.73594 
1 1 1 15  11  34 o 77.99139 33.12247 206.6600       215.1532 257.1964       236.8808 -31.52577      514.2634 82.41051 34.86621 76.16322 37.72395 6.247292       51.36875 
1 1 1 15  12  0  o 179.3973 9.701476 776.9623       82.89787 838.1840       126.8119 731.2776       109.5450 185.2793 14.42980 173.2646 13.32666 12.01471       19.64228 
1 1 1 15  12  1  f 143.4670 14.87718 505.1764       100.5630 0.000000       0.000000 505.1764       100.5630 ?        ?        143.4670 14.87718 0.000000       14.87718 
1 1 1 15  12  2  o 158.4165 13.61367 612.3878       102.1071 0.000000       0.000000 612.3878       102.1071 ?        ?        158.4165 13.61367 0.000000       13.61367 
1 1 1 15  12  3  o 206.8995 11.51943 1036.379       113.4961 0.000000       0.000000 1036.379       113.4961 ?        ?        206.8995 11.51943 0.000000       11.51943 
1 1 1 15  12  4  o 81.44437 17.19879 167.8175       64.86402 0.000000       0.000000 167.8175       64.86402 ?        ?        81.44437 17.19879 0.000000       17.19879 
1 1 1 15  12  5  o 171.2672 11.25862 710.6415       91.67537 0.000000       0.000000 710.6415       91.67537 ?        ?        171.2672 11.25862 0.000000       11.25862 
1 1 1 15  12  6  o 197.6815 11.46571 946.2220       107.8966 0.000000       0.000000 946.2220       107.8966 ?        ?        197.6815 11.46571 0.000000       11.46571 
1 1 1 15  12  7  o 205.0191 10.40789 1015.356       101.6815 0.000000       0.000000 1015.356       101.6815 ?        ?        205.0191 10.40789 0.000000       10.40789 
1 1 1 15  12  8  o 329.6446 9.783429 2618.419       154.0156 0.000000       0.000000 2618.419       154.0156 ?        ?        329.6446 9.783429 0.000000       9.783429 
1 1 1 15  12  9  o 200.2644 11.39069 971.1647       108.6095 0.000000       0.000000 971.1647       108.6095 ?        ?        200.2644 11.39069 0.000000       11.39069 
1 1 1 15  12  10 o 192.6138 13.16616 902.7315       120.5135 0.000000       0.000000 902.7315       120.5135 ?        ?        192.6138 13.16616 0.000000       13.16616 
1 1 1 15  12  11 o 148.2164 13.44224 536.7627       94.21769 0.000000       0.000000 536.7627       94.21769 ?        ?        148.2164 13.44224 0.000000       13.44224 
1 1 1 15  12  12 o 58.32105 17.35598 84.48754       51.97092 0.000000       0.000000 84.48754       51.97092 ?        ?        58.32105 17.35598 0.000000       17.35598 
1 1 1 15  12  13 o 208.4287 12.93850 1056.615       128.2931 0.000000       0.000000 1056.615       128.2931 ?        ?        208.4287 12.93850 0.000000       12.93850 
1 1 1 15  12  14 o 135.1870 12.70960 446.5410       81.18019 411.8190       137.2878 465.2088       100.6647 126.5446 23.55909 137.2713 15.61600 -10.72670      28.26465 
1 1 1 15  12  15 f 213.2138 9.951700 1098.503       101.1629 1488.530       186.0013 934.6652       120.5524 246.3399 15.87786 195.8875 12.94501 50.45242       20.48608 
1 1 1 15  12  16 o 169.7800 15.89937 710.7234       127.5538 830.1780       151.3680 418.1269       236.9013 183.0345 17.51114 123.0802 37.15502 59.95434       41.07476 
1 1 1 15  12  17 o 194.5000 17.91742 939.2205       164.7397 952.5256       201.0154 912.0055       287.4910 194.0736 22.05556 183.2960 34.06019 10.77760       40.57763 
1 1 1 15  12  18 o 220.4415 15.26702 1193.952       159.9059 1106.642       188.8314 1415.269       300.6416 210.6520 18.95237 233.4408 27.46269 -22.78882      33.36753 
1 1 1 15  12  19 o 211.7369 19.62781 1122.903       196.4288 1024.517       220.6222 1499.139       431.4305 200.2268 23.49360 229.4572 40.82428 -29.23036      47.10171 
1 1 1 15  12  20 o 37.11169 17.98212 -155.6894      98.68658 -146.2831      110.3275 -193.3401      220.7299 40.92574 19.62206 61.55673 28.99961 -20.63099      35.01432 
1 1 1 15  12  21 o 164.3740 23.30354 694.9297       178.0040 759.3415       245.5622 623.6075       258.3994 167.1808 31.88652 148.4011 36.64235 18.77968       48.57378 
1 1 1 15  12  22 o 77.07978 33.04209 40.81395       217.6912 130.1304       258.5560 -176.6717      403.4635 89.82050 37.09240 86.70762 40.30943 3.112877       54.77861 
1 1 1 15  12  23 o 93.38234 28.68757 233.2609       140.4054 93.43598       167.5212 563.3893       257.4062 75.12769 30.29372 139.2376 37.73461 -64.10989      48.39019 
1 1 1 15  12  24 o 111.1983 30.54879 344.7962       167.3743 325.1703       177.2693 506.0163       508.0753 107.6726 32.05709 128.3191 52.38279 -20.64651      61.41347 
1 1 1 15  12  25 o 217.2499 20.08879 1204.831       206.2892 1325.798       243.9344 901.1039       386.5279 225.8791 22.90488 164.9094 46.83988 60.96967       52.14027 
1 1 1 15  12  26 o 188.7457 22.16865 928.7488       196.2345 903.3289       229.2295 998.4780       379.6563 182.5615 27.08340 174.3274 45.18512 8.234116       52.68021 
1 1 1 15  12  27 f 215.2010 22.53737 1214.216       228.4411 1227.124       249.9551 1148.773       562.8349 214.3785 24.84739 164.9760 57.79604 49.40250       62.91085 
1 1 1 15  12  28 o 102.5006 31.44112 307.3656       168.7320 441.4877       208.9389 55.89839       286.0948 120.4808 34.50893 82.25603 36.49912 38.22474       50.22999 
1 1 1 15  12  29 o 73.65859 32.35129 51.48360       219.3522 275.8826       337.6514 -112.3734      288.5298 98.44881 41.63811 71.23531 33.43250 27.21349       53.39911 
1 1 1 15  12  30 o 64.62991 28.71782 17.31198       177.7292 68.41202       229.3509 -59.49955      281.1920 74.45526 32.87582 71.53737 33.38872 2.917892       46.85751 
1 1 1 15  12  31 o 97.49957 29.65396 296.5511       150.5114 287.0272       154.2955 483.6038       683.7980 95.60052 30.18483 103.4413 49.39341 -7.840790      57.88638 
1 1 1 15  12  32 o 70.82804 32.13894 45.66663       235.9404 103.9689       250.8479 -401.5785      694.7693 75.87132 33.88896 81.69671 40.98286 -5.825394      53.17947 
1 1 1 15  12  33 o 67.76585 28.09824 114.9705       149.1955 128.5399       156.1315 -27.65656      506.1863 69.76161 28.81784 78.60628 38.64637 -8.844666      48.20798 
1 1 1 15  12  34 o 36.01325 18.07711 -319.8920      136.2111 -434.6093      152.2484 140.1954       304.9005 35.48329 17.96834 75.05058 34.94132 -39.56730      39.29068 
1 1 1 15  13  0  o 347.8300 9.907662 2916.721       164.5902 2950.991       310.9754 2903.385       193.9886 346.0729 18.86669 346.4474 11.72890 -0.3744202     22.21529 
1 1 1 15  13  1  o 374.1621 11.89717 3386.435       212.5493 0.000000       0.000000 3386.435       212.5493 ?        ?        374.1621 11.89717 0.000000       11.89717 
1 1 1 15  13  2  o 51.23121 18.77475 52.65583       60.12017 0.000000       0.000000 52.65583       60.12017 ?        ?        51.23121 18.77475 0.000000       18.77475 
1 1 1 15  13  3  o 395.2426 15.82554 3810.524       298.4363 0.000000       0.000000 3810.524       298.4363 ?        ?        395.2426 15.82554 0.000000       15.82554 
1 1 1 15  13  4  o 295.5700 13.15862 2119.619       185.4765 0.000000       0.000000 2119.619       185.4765 ?        ?        295.5700 13.15862 0.000000       13.15862 
1 1 1 15  13  5  o 167.9282 11.75944 684.3693       93.81340 0.000000       0.000000 684.3693       93.81340 ?        ?        167.9282 11.75944 0.000000       11.75944 
1 1 1 15  13  6  f 234.2140 12.07347 1329.218       134.7365 0.000000       0.000000 1329.218       134.7365 ?        ?        234.2140 12.07347 0.000000       12.07347 
1 1 1 15  13  7  o 155.1097 11.97921 584.7661       88.14536 0.000000       0.000000 584.7661       88.14536 ?        ?        155.1097 11.97921 0.000000       11.97921 
1 1 1 15  13  8  o 197.1396 12.23581 943.2460       114.7542 0.000000       0.000000 943.2460       114.7542 ?        ?        197.1396 12.23581 0.000000       12.23581 
1 1 1 15  13  9  o 89.71867 14.74768 200.5378       61.06190 0.000000       0.000000 200.5378       61.06190 ?        ?        89.71867 14.74768 0.000000       14.74768 
1 1 1 15  13  10 o 64.92164 17.00101 106.8055       53.38226 0.000000       0.000000 106.8055       53.38226 ?        ?        64.92164 17.00101 0.000000       17.00101 
1 1 1 15  13  11 o 168.6510 12.34932 691.8246       98.88250 0.000000       0.000000 691.8246       98.88250 ?        ?        168.6510 12.34932 0.000000       12.34932 
1 1 1 15  13  12 o 34.96105 14.89807 0.5211892      43.78348 0.000000       0.000000 0.5211892      43.78348 ?        ?        34.96105 14.89807 0.000000       14.89807 
1 1 1 15  13  13 o 294.9752 14.03792 2119.618       197.4006 0.000000       0.000000 2119.618       197.4006 ?        ?        294.9752 14.03792 0.000000       14.03792 
1 1 1 15  13  14 o 227.5945 10.94714 1254.181       118.7669 0.000000       0.000000 1254.181       118.7669 ?        ?        227.5945 10.94714 0.000000       10.94714 
1 1 1 15  13  15 o 195.5184 10.18583 924.9481       94.88383 1160.064       178.7350 832.6884       111.9629 216.6577 17.40172 184.8431 12.74766 31.81456       21.57134 
1 1 1 15  13  16 o 151.6457 12.80139 562.1089       91.94414 599.0334       222.3437 554.4924       100.9827 148.7464 32.20100 150.2199 14.23051 -1.473511      35.20528 
1 1 1 15  13  17 o 215.8522 15.28446 1144.807       156.7101 1233.268       190.7836 961.3318       274.7615 222.9052 18.05692 189.6880 31.39479 33.21710       36.21719 
1 1 1 15  13  18 o 121.7693 28.08910 396.3360       160.1931 539.3541       196.6438 114.1708       276.2082 141.6295 29.97728 90.99297 38.02008 50.63657       48.41657 
1 1 1 15  13  19 o 186.0067 16.77201 857.8384       147.5492 829.9923       169.3248 945.6962       300.7661 181.6681 19.81637 185.0167 35.28982 -3.348557      40.47295 
1 1 1 15  13  20 o 236.6079 17.24558 1387.555       193.7417 1458.895       235.4433 1237.937       340.9660 240.8258 20.64822 212.4617 34.76928 28.36411       40.43825 
1 1 1 15  13  21 o 127.6405 21.57963 419.1000       126.9974 412.6415       147.9191 437.2102       247.6968 124.9631 25.62006 123.8208 38.11502 1.142258       45.92540 
1 1 1 15  13  22 o 189.5012 19.15610 903.6039       171.1706 951.7483       186.3321 643.3589       433.2175 193.8905 20.40685 142.0307 50.61919 51.85976       54.57785 
1 1 1 15  13  23 o 278.7719 16.38051 1928.872       217.3535 1739.074       276.8261 2233.958       350.9723 260.4863 22.44745 292.8301 25.31813 -32.34381      33.83631 
1 1 1 15  13  24 o 249.7972 22.15969 1608.019       261.8994 1987.543       313.4592 730.4956       476.6404 276.2205 23.97368 143.3558 52.80868 132.8647       57.99564 
1 1 1 15  13  25 o 109.3394 34.86073 348.3463       205.3707 143.5907       296.9542 536.0667       284.3330 91.56563 38.90112 130.7142 40.93497 -39.14862      56.47096 
1 1 1 15  13  26 o 106.6490 38.01320 336.5843       244.3178 -39.75726      320.0690 862.0276       378.1948 81.05270 37.03096 158.5385 46.72829 -77.48579      59.62235 
1 1 1 15  13  27 o 79.71790 33.59410 102.2761       218.5017 46.00953       232.1341 539.5580       647.1343 76.44673 33.43606 123.3380 54.80178 -46.89130      64.19661 
1 1 1 15  13  28 o 67.76939 29.41720 36.08743       176.8166 180.6993       197.7363 -540.9208      394.9803 84.85855 33.33481 68.20625 33.64944 16.65230       47.36554 
1 1 1 15  13  29 o 58.19917 26.47424 -37.22707      161.3335 90.60979       193.5677 -328.0853      291.9749 73.62604 31.34813 62.02484 30.25173 11.60120       43.56457 
1 1 1 15  13  30 o 59.76713 26.99465 -13.55394      164.1669 -29.37872      197.7339 21.55406       294.5204 63.29941 28.99004 76.31197 35.10822 -13.01256      45.53032 
1 1 1 15  13  31 o 62.78129 30.05611 -156.1749      256.7467 -217.9079      297.2256 25.29721       509.6037 64.59047 31.27536 86.24631 41.56134 -21.65584      52.01435 
1 1 1 15  13  32 o 64.49214 27.07989 84.39771       141.1730 63.76241       149.0197 265.0063       440.8670 63.08300 27.19373 88.98012 41.62058 -25.89712      49.71692 
1 1 1 15  13  33 o 40.60120 19.99538 -215.3170      137.4112 -164.2287      144.2802 -713.8561      450.7086 44.37094 21.55616 61.36855 31.05824 -16.99761      37.80585 
1 1 1 15  14  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  8  o 155.2712 27.78119 627.4358       198.6573 0.000000       0.000000 627.4358       198.6573 ?        ?        155.2712 27.78119 0.000000       27.78119 
1 1 1 15  14  9  o 220.2362 21.64010 1214.369       224.9147 0.000000       0.000000 1214.369       224.9147 ?        ?        220.2362 21.64010 0.000000       21.64010 
1 1 1 15  14  10 o 261.1634 21.47672 1703.559       265.7893 0.000000       0.000000 1703.559       265.7893 ?        ?        261.1634 21.47672 0.000000       21.47672 
1 1 1 15  14  11 o 160.1803 27.24145 666.7915       201.1541 0.000000       0.000000 666.7915       201.1541 ?        ?        160.1803 27.24145 0.000000       27.24145 
1 1 1 15  14  12 o 236.4452 24.03170 1416.281       267.8881 0.000000       0.000000 1416.281       267.8881 ?        ?        236.4452 24.03170 0.000000       24.03170 
1 1 1 15  14  13 o 249.8080 32.59702 1653.891       380.0301 0.000000       0.000000 1653.891       380.0301 ?        ?        249.8080 32.59702 0.000000       32.59702 
1 1 1 15  14  14 o 160.7602 45.17977 762.3603       361.5734 0.000000       0.000000 762.3603       361.5734 ?        ?        160.7602 45.17977 0.000000       45.17977 
1 1 1 15  14  15 o 474.3988 18.40932 5562.725       416.7394 5565.697       575.9683 5559.459       603.7283 467.1087 25.89255 465.2717 27.26047 1.836975       37.59731 
1 1 1 15  14  16 o 316.1749 14.00059 2440.664       211.1075 2726.660       264.9184 1943.079       349.4343 332.7666 16.70534 274.3099 26.99434 58.45663       31.74528 
1 1 1 15  14  17 o 103.0893 24.89323 280.0081       121.2897 403.1942       140.8129 -74.14295      238.7568 124.2403 24.57749 71.92388 32.51344 52.31642       40.75754 
1 1 1 15  14  18 o 225.7693 18.28190 1268.209       195.6440 1293.593       220.4843 1174.215       424.2793 226.8783 20.54978 198.2893 45.69408 28.58897       50.10232 
1 1 1 15  14  19 o 206.4022 17.03054 1056.109       166.5608 1246.141       192.3669 486.9389       332.9187 223.7912 18.13481 129.5590 44.50117 94.23213       48.05440 
1 1 1 15  14  20 o 146.4210 21.98577 549.7345       149.1559 549.7345       149.1559 0.000000       0.000000 146.4210 21.98577 ?        ?        0.000000       21.98577 
1 1 1 15  14  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14  29 o 84.72759 36.32626 170.9454       263.1929 -46.68110      338.1346 505.4677       419.2242 77.04612 36.17006 110.3719 46.52355 -33.32574      58.92974 
1 1 1 15  14  30 o 130.7681 32.48312 548.6990       202.1677 416.3543       221.3112 1215.932       496.9227 109.0757 36.28765 151.9509 54.20702 -42.87511      65.23185 
1 1 1 15  14  31 o 98.24232 33.04940 328.9441       183.5072 217.1501       220.6680 579.5947       330.4188 83.86570 34.41169 113.9891 43.54620 -30.12341      55.50168 
1 1 1 15  14  32 o 73.88293 33.30161 113.9885       248.3539 174.1136       370.4035 64.88171       334.7478 81.54919 38.14639 75.50089 35.61277 6.048302       52.18636 
1 1 1 15  14  33 o 59.28913 27.55458 -11.27407      188.3092 0.2345243E-01  225.9542 -36.96275      340.7217 63.50187 29.73332 69.35693 33.55987 -5.855064      44.83676 
1 1 1 15  15  0  o 331.9213 8.851156 2653.187       140.3317 2838.027       186.9820 2414.797       212.3470 342.4573 11.43654 314.8354 14.14375 27.62189       18.18901 
1 1 1 15  15  1  o 97.65380 21.62196 245.6346       98.27987 0.000000       0.000000 245.6346       98.27987 ?        ?        97.65380 21.62196 0.000000       21.62196 
1 1 1 15  15  2  o 262.0348 10.66913 1659.899       133.3789 0.000000       0.000000 1659.899       133.3789 ?        ?        262.0348 10.66913 0.000000       10.66913 
1 1 1 15  15  3  o 189.4760 12.15930 872.3848       109.5653 0.000000       0.000000 872.3848       109.5653 ?        ?        189.4760 12.15930 0.000000       12.15930 
1 1 1 15  15  4  f 151.1232 13.62724 558.8035       97.40063 0.000000       0.000000 558.8035       97.40063 ?        ?        151.1232 13.62724 0.000000       13.62724 
1 1 1 15  15  5  o 384.9450 13.45928 3600.984       247.3205 0.000000       0.000000 3600.984       247.3205 ?        ?        384.9450 13.45928 0.000000       13.45928 
1 1 1 15  15  6  o 90.43787 17.51294 206.9753       72.98495 0.000000       0.000000 206.9753       72.98495 ?        ?        90.43787 17.51294 0.000000       17.51294 
1 1 1 15  15  7  o 178.0568 10.88193 768.3428       92.19212 0.000000       0.000000 768.3428       92.19212 ?        ?        178.0568 10.88193 0.000000       10.88193 
1 1 1 15  15  8  o 38.29473 17.01208 -20.39911      62.33342 0.000000       0.000000 -20.39911      62.33342 ?        ?        38.29473 17.01208 0.000000       17.01208 
1 1 1 15  15  9  o 181.6533 12.78759 803.9230       110.3460 0.000000       0.000000 803.9230       110.3460 ?        ?        181.6533 12.78759 0.000000       12.78759 
1 1 1 15  15  10 o 238.6827 11.96687 1382.594       136.1201 0.000000       0.000000 1382.594       136.1201 ?        ?        238.6827 11.96687 0.000000       11.96687 
1 1 1 15  15  11 o 35.99181 16.10623 -22.94494      56.94258 0.000000       0.000000 -22.94494      56.94258 ?        ?        35.99181 16.10623 0.000000       16.10623 
1 1 1 15  15  12 o 205.2752 12.70955 1026.128       124.1195 0.000000       0.000000 1026.128       124.1195 ?        ?        205.2752 12.70955 0.000000       12.70955 
1 1 1 15  15  13 o 215.0049 13.38237 1127.977       136.8772 0.000000       0.000000 1127.977       136.8772 ?        ?        215.0049 13.38237 0.000000       13.38237 
1 1 1 15  15  14 o 215.9843 10.39193 1129.388       106.9919 0.000000       0.000000 1129.388       106.9919 ?        ?        215.9843 10.39193 0.000000       10.39193 
1 1 1 15  15  15 o 70.64560 15.90195 126.9315       52.40914 0.000000       0.000000 126.9315       52.40914 ?        ?        70.64560 15.90195 0.000000       15.90195 
1 1 1 15  15  16 o 136.9951 10.76609 456.5934       69.94718 554.8069       115.7635 400.1184       87.78362 149.4762 16.47189 127.2004 14.70549 22.27573       22.08109 
1 1 1 15  15  17 o 204.0790 11.18932 1011.319       108.7540 810.5004       175.4937 1136.522       138.5690 179.1119 20.88556 215.6295 13.50944 -36.51758      24.87391 
1 1 1 15  15  18 o 66.50600 22.10028 107.3122       82.09348 149.6627       93.33399 -37.42893      172.5467 76.48717 23.36927 63.33720 28.21043 13.14997       36.63265 
1 1 1 15  15  19 o 330.9979 12.09241 2665.064       191.0363 2961.879       230.3880 2011.881       341.7704 348.0231 13.87442 278.9018 25.92850 69.12131       29.40725 
1 1 1 15  15  20 o 140.6346 16.37780 493.8309       108.0592 477.5783       127.4551 535.3760       203.7774 136.8468 20.07796 139.4386 31.33352 -2.591797      37.21443 
1 1 1 15  15  21 o 144.4991 16.34604 522.5223       110.9434 548.7075       132.0111 459.5548       204.7110 146.8890 19.26170 127.3025 33.27101 19.58653       38.44442 
1 1 1 15  15  22 o 156.4598 18.03254 619.2111       132.4219 623.2660       165.2278 611.9293       221.4184 154.3848 23.09412 147.2212 32.34384 7.163574       39.74245 
1 1 1 15  15  23 o 167.3745 19.20557 714.8557       150.9017 845.9517       175.2427 338.8209       296.7968 181.4213 20.56668 108.9865 41.35781 72.43484       46.18936 
1 1 1 15  15  24 o 95.05888 33.16827 249.9447       185.2541 241.3334       240.7999 262.4326       289.9789 96.14661 37.06100 100.5448 40.09041 -4.398163      54.59632 
1 1 1 15  15  25 o 133.1468 36.65795 541.4424       240.7151 738.4407       273.0695 -145.2378      509.8226 155.7951 37.18034 92.05970 43.58095 63.73540       57.28592 
1 1 1 15  15  26 o 97.07469 28.68667 268.7511       142.3799 298.2633       158.9417 148.8665       320.3453 101.4008 30.39402 91.21529 39.59516 10.18551       49.91566 
1 1 1 15  15  27 o 149.6401 23.47503 609.4581       162.4226 783.6787       191.5434 163.5676       306.4301 169.2077 24.38026 89.13871 38.70945 80.06902       45.74733 
1 1 1 15  15  28 o 49.19672 23.47771 -145.5871      154.0134 -104.6090      162.6862 -499.4680      478.0836 53.34024 25.05615 73.87904 36.55312 -20.53881      44.31637 
1 1 1 15  15  29 o 142.4666 24.57399 575.8503       161.3326 502.7672       193.9895 739.7822       290.5369 125.6392 32.16246 141.7507 40.72235 -16.11149      51.89156 
1 1 1 15  15  30 o 87.02074 34.70159 241.6227       217.2848 443.8309       330.8920 88.32655       288.1061 103.5670 42.27533 77.95029 35.42733 25.61674       55.15704 
1 1 1 15  15  31 o 65.94927 30.47828 4.610781       225.5761 49.38543       366.4179 -22.71478      286.2498 77.29520 36.69509 69.51201 32.83160 7.783188       49.23864 
1 1 1 15  15  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  16  0  o 244.4819 8.108006 1438.507       94.63852 1378.527       132.5552 1500.867       135.1610 238.4633 11.66235 248.9226 11.38756 -10.45930      16.29991 
1 1 1 15  16  1  o 55.19948 16.95517 74.88230       49.04784 0.000000       0.000000 74.88230       49.04784 ?        ?        55.19948 16.95517 0.000000       16.95517 
1 1 1 15  16  2  o 307.0049 9.216510 2271.731       135.1227 0.000000       0.000000 2271.731       135.1227 ?        ?        307.0049 9.216510 0.000000       9.216510 
1 1 1 15  16  3  o 205.6598 11.20779 1025.131       109.7826 0.000000       0.000000 1025.131       109.7826 ?        ?        205.6598 11.20779 0.000000       11.20779 
1 1 1 15  16  4  o 78.64756 15.97888 156.3629       58.02962 0.000000       0.000000 156.3629       58.02962 ?        ?        78.64756 15.97888 0.000000       15.97888 
1 1 1 15  16  5  o 144.9878 11.42643 511.3615       78.56483 0.000000       0.000000 511.3615       78.56483 ?        ?        144.9878 11.42643 0.000000       11.42643 
1 1 1 15  16  6  o 264.8438 9.708600 1693.056       122.7211 0.000000       0.000000 1693.056       122.7211 ?        ?        264.8438 9.708600 0.000000       9.708600 
1 1 1 15  16  7  o 303.7713 12.62759 2241.235       182.9901 0.000000       0.000000 2241.235       182.9901 ?        ?        303.7713 12.62759 0.000000       12.62759 
1 1 1 15  16  8  o 168.9299 11.09176 692.6744       89.08531 0.000000       0.000000 692.6744       89.08531 ?        ?        168.9299 11.09176 0.000000       11.09176 
1 1 1 15  16  9  o 290.4978 9.621863 2036.662       133.4476 0.000000       0.000000 2036.662       133.4476 ?        ?        290.4978 9.621863 0.000000       9.621863 
1 1 1 15  16  10 o 248.9455 13.42924 1510.552       159.2405 0.000000       0.000000 1510.552       159.2405 ?        ?        248.9455 13.42924 0.000000       13.42924 
1 1 1 15  16  11 o 166.1824 11.34305 671.1946       89.58012 0.000000       0.000000 671.1946       89.58012 ?        ?        166.1824 11.34305 0.000000       11.34305 
1 1 1 15  16  12 o 72.63856 19.26470 135.2428       67.98704 0.000000       0.000000 135.2428       67.98704 ?        ?        72.63856 19.26470 0.000000       19.26470 
1 1 1 15  16  13 o 303.7551 13.69401 2250.206       198.3555 0.000000       0.000000 2250.206       198.3555 ?        ?        303.7551 13.69401 0.000000       13.69401 
1 1 1 15  16  14 o 74.26179 19.19796 141.6613       68.65579 0.000000       0.000000 141.6613       68.65579 ?        ?        74.26179 19.19796 0.000000       19.19796 
1 1 1 15  16  15 o 37.37205 15.14928 15.02727       42.14251 0.000000       0.000000 15.02727       42.14251 ?        ?        37.37205 15.14928 0.000000       15.14928 
1 1 1 15  16  16 o 61.30299 21.47622 85.59312       77.71425 0.000000       0.000000 85.59312       77.71425 ?        ?        61.30299 21.47622 0.000000       21.47622 
1 1 1 15  16  17 f 278.3052 8.535223 1867.941       113.4308 1586.235       199.8838 2001.753       137.7616 253.3199 16.59579 287.6307 10.03344 -34.31081      19.39305 
1 1 1 15  16  18 o 161.0533 10.60476 630.7349       81.19988 633.8223       138.6796 629.1243       100.1655 158.7152 18.63048 160.1066 13.20306 -1.391373      22.83453 
1 1 1 15  16  19 o 41.13904 18.76034 -45.64021      81.65366 -38.69500      85.14201 -125.2253      288.2154 42.94004 19.41309 74.88188 34.55111 -31.94184      39.63139 
1 1 1 15  16  20 o 55.83563 24.09675 4.953700       117.2679 218.6889       156.5576 -268.2469      177.0015 90.78284 30.52620 49.02402 23.83025 41.75882       38.72635 
1 1 1 15  16  21 o 147.0180 22.78082 565.2134       154.9447 557.0147       177.3319 591.6741       318.5769 143.6712 26.80282 136.7548 43.39733 6.916428       51.00705 
1 1 1 15  16  22 o 336.8276 15.90547 2823.389       255.4076 3167.354       342.3870 2391.856       383.5015 352.3729 20.41123 298.9821 27.12443 53.39087       33.94633 
1 1 1 15  16  23 o 43.56275 20.47413 -97.82105      108.8777 -153.1171      129.4232 36.06351       201.3866 44.69215 21.38085 72.47217 31.42695 -27.78002      38.01045 
1 1 1 15  16  24 o 170.2673 18.76887 742.3774       150.2521 839.8337       184.6024 551.0999       258.6215 179.0603 22.02771 132.8045 38.50256 46.25583       44.35839 
1 1 1 15  16  25 f 64.22923 24.74730 86.73018       107.3356 53.54726       121.9386 200.9141       226.1968 61.66434 25.46971 89.38325 35.48359 -27.71891      43.67827 
1 1 1 15  16  26 o 109.2550 25.71472 337.4791       132.0690 325.3644       139.3150 444.9360       414.9152 106.2615 27.28410 111.2506 46.54976 -4.989120      53.95649 
1 1 1 15  16  27 o 62.40979 26.21469 56.87871       132.3681 58.16017       152.8107 53.02732       264.9168 65.35311 27.84027 76.87451 34.54380 -11.52140      44.36614 
1 1 1 15  16  28 o 84.96629 33.13949 212.7001       194.2660 24.62708       268.8662 418.1355       281.0027 74.25381 33.93050 106.1121 40.24805 -31.85825      52.64205 
1 1 1 15  16  29 o 60.42744 28.93759 -158.9922      238.3692 -508.5266      274.6467 908.1523       479.8892 52.85086 26.40185 127.9299 51.38198 -75.07901      57.76820 
1 1 1 15  16  30 o 32.99041 16.82155 -548.5369      151.0318 -520.6653      159.0660 -803.7208      481.3080 35.04694 17.81181 63.86127 32.29396 -28.81432      36.88036 
1 1 1 15  16  31 o 96.36275 30.75920 325.1015       159.8510 508.9227       187.2443 -168.9058      306.9570 120.6291 31.96078 63.66902 31.04583 56.96011       44.55710 
1 1 1 15  17  0  o 146.5743 8.884408 519.2857       61.96558 574.9396       96.90308 480.7852       80.59779 153.2341 13.36085 140.3360 12.13186 12.89818       18.04700 
1 1 1 15  17  1  o 301.0968 13.08055 2205.528       187.8465 0.000000       0.000000 2205.528       187.8465 ?        ?        301.0968 13.08055 0.000000       13.08055 
1 1 1 15  17  2  o 49.97363 20.10000 31.52366       73.54742 0.000000       0.000000 31.52366       73.54742 ?        ?        49.97363 20.10000 0.000000       20.10000 
1 1 1 15  17  3  o 101.1597 13.08140 252.3240       61.78611 0.000000       0.000000 252.3240       61.78611 ?        ?        101.1597 13.08140 0.000000       13.08140 
1 1 1 15  17  4  f 223.5979 10.34546 1209.215       110.2928 0.000000       0.000000 1209.215       110.2928 ?        ?        223.5979 10.34546 0.000000       10.34546 
1 1 1 15  17  5  o 182.8293 9.823077 808.2952       85.54691 0.000000       0.000000 808.2952       85.54691 ?        ?        182.8293 9.823077 0.000000       9.823077 
1 1 1 15  17  6  o 266.1641 12.25981 1720.138       155.5871 0.000000       0.000000 1720.138       155.5871 ?        ?        266.1641 12.25981 0.000000       12.25981 
1 1 1 15  17  7  o 253.5891 9.777926 1552.957       118.3235 0.000000       0.000000 1552.957       118.3235 ?        ?        253.5891 9.777926 0.000000       9.777926 
1 1 1 15  17  8  o 187.0097 12.36514 851.3777       109.9328 0.000000       0.000000 851.3777       109.9328 ?        ?        187.0097 12.36514 0.000000       12.36514 
1 1 1 15  17  9  o 55.92479 17.10235 77.23393       49.97274 0.000000       0.000000 77.23393       49.97274 ?        ?        55.92479 17.10235 0.000000       17.10235 
1 1 1 15  17  10 o 191.6319 10.62085 889.9239       96.92448 0.000000       0.000000 889.9239       96.92448 ?        ?        191.6319 10.62085 0.000000       10.62085 
1 1 1 15  17  11 o 69.23203 16.12934 122.0046       52.39145 0.000000       0.000000 122.0046       52.39145 ?        ?        69.23203 16.12934 0.000000       16.12934 
1 1 1 15  17  12 f 227.4398 10.22103 1251.847       110.8559 0.000000       0.000000 1251.847       110.8559 ?        ?        227.4398 10.22103 0.000000       10.22103 
1 1 1 15  17  13 f 127.7734 12.87967 400.6666       77.60545 0.000000       0.000000 400.6666       77.60545 ?        ?        127.7734 12.87967 0.000000       12.87967 
1 1 1 15  17  14 o 195.4316 11.40388 928.5858       106.0876 0.000000       0.000000 928.5858       106.0876 ?        ?        195.4316 11.40388 0.000000       11.40388 
1 1 1 15  17  15 o 224.8094 12.69145 1233.404       135.8522 0.000000       0.000000 1233.404       135.8522 ?        ?        224.8094 12.69145 0.000000       12.69145 
1 1 1 15  17  16 o 126.3711 13.20545 393.5249       78.60654 0.000000       0.000000 393.5249       78.60654 ?        ?        126.3711 13.20545 0.000000       13.20545 
1 1 1 15  17  17 o 110.1571 16.46202 305.8818       84.04156 0.000000       0.000000 305.8818       84.04156 ?        ?        110.1571 16.46202 0.000000       16.46202 
1 1 1 15  17  18 o 124.1135 12.00638 378.6332       70.35400 52.80677       160.0460 456.6750       78.32774 69.06471 28.90540 136.3669 12.14111 -67.30214      31.35170 
1 1 1 15  17  19 o 150.3808 10.49806 551.5004       75.00214 758.7179       129.8425 447.7359       91.88149 174.5101 15.73153 134.1579 14.55839 40.35216       21.43426 
1 1 1 15  17  20 o 186.5803 9.352220 845.0429       83.15762 926.8637       158.4881 813.9602       97.68409 191.9107 17.46497 182.4866 11.25126 9.424026       20.77538 
1 1 1 15  17  21 o 82.58799 22.85830 182.2255       93.31984 262.7793       107.6986 -60.47815      186.9413 98.98190 23.17031 62.72750 28.52000 36.25440       36.74580 
1 1 1 15  17  22 o 74.94389 28.73964 124.8188       144.2870 74.78133       220.7816 162.1220       190.6284 78.18796 33.39057 83.98972 32.80779 -5.801758      46.81112 
1 1 1 15  17  23 o 97.64156 29.90134 271.2639       152.6895 788.5397       230.4021 -133.8217      203.8913 167.3229 29.89940 60.18759 28.20173 107.1353       41.10124 
1 1 1 15  17  24 o 98.53603 32.95303 287.4901       182.4635 508.3644       212.7291 -327.3179      354.9148 129.1829 33.99099 70.63130 34.19455 58.55156       48.21467 
1 1 1 15  17  25 o 57.97668 25.81801 -8.922995      144.4520 108.8212       190.9079 -166.6239      220.9384 75.57979 31.59640 59.72209 28.39310 15.85770       42.47942 
1 1 1 15  17  26 o 53.33424 24.77108 -75.52557      151.8078 -24.34776      200.7771 -143.8352      231.9606 64.59638 29.44216 61.66207 29.25100 2.934315       41.50255 
1 1 1 15  17  27 o 105.6229 26.13371 327.4602       131.2387 358.6078       137.7854 22.85473       430.8831 110.4343 26.44658 84.70350 40.08863 25.73085       48.02624 
1 1 1 15  17  28 o 68.45724 26.27750 120.3126       120.7031 135.0541       133.8926 56.35412       278.8912 71.51864 27.61754 75.66257 34.56779 -4.143936      44.24546 
1 1 1 15  17  29 o 97.75494 29.56673 312.7132       149.9143 474.8888       173.2749 -170.0455      298.9564 120.9940 30.08253 64.74279 31.35322 56.25121       43.45093 
1 1 1 15  17  30 o 57.06679 27.26705 -104.4382      209.0973 -104.7002      283.6464 -104.1264      309.4524 64.30259 30.99196 66.27708 32.04861 -1.974487      44.58267 
1 1 1 15  18  0  o 132.7143 12.13161 431.2896       76.12368 0.000000       0.000000 431.2896       76.12368 ?        ?        132.7143 12.13161 0.000000       12.13161 
1 1 1 15  18  1  o 140.7707 14.03149 488.3787       93.17673 0.000000       0.000000 488.3787       93.17673 ?        ?        140.7707 14.03149 0.000000       14.03149 
1 1 1 15  18  2  o 223.7361 11.83755 1217.977       126.1705 0.000000       0.000000 1217.977       126.1705 ?        ?        223.7361 11.83755 0.000000       11.83755 
1 1 1 15  18  3  o 138.2445 11.74939 466.7228       76.92041 0.000000       0.000000 466.7228       76.92041 ?        ?        138.2445 11.74939 0.000000       11.74939 
1 1 1 15  18  4  o 47.45083 18.96313 30.33475       65.02665 0.000000       0.000000 30.33475       65.02665 ?        ?        47.45083 18.96313 0.000000       18.96313 
1 1 1 15  18  5  o 131.7458 11.79676 424.0420       73.51769 0.000000       0.000000 424.0420       73.51769 ?        ?        131.7458 11.79676 0.000000       11.79676 
1 1 1 15  18  6  o 241.0494 9.970526 1405.427       114.6553 0.000000       0.000000 1405.427       114.6553 ?        ?        241.0494 9.970526 0.000000       9.970526 
1 1 1 15  18  7  o 237.6088 12.29124 1374.013       139.1515 0.000000       0.000000 1374.013       139.1515 ?        ?        237.6088 12.29124 0.000000       12.29124 
1 1 1 15  18  8  o 77.61046 18.32258 154.6640       66.88775 0.000000       0.000000 154.6640       66.88775 ?        ?        77.61046 18.32258 0.000000       18.32258 
1 1 1 15  18  9  o 45.05169 15.75647 44.70260       41.82048 0.000000       0.000000 44.70260       41.82048 ?        ?        45.05169 15.75647 0.000000       15.75647 
1 1 1 15  18  10 o 252.5470 9.978418 1543.307       120.2421 0.000000       0.000000 1543.307       120.2421 ?        ?        252.5470 9.978418 0.000000       9.978418 
1 1 1 15  18  11 o 203.9634 12.59793 1015.590       122.2461 0.000000       0.000000 1015.590       122.2461 ?        ?        203.9634 12.59793 0.000000       12.59793 
1 1 1 15  18  12 o 46.21062 18.97687 20.98151       67.17985 0.000000       0.000000 20.98151       67.17985 ?        ?        46.21062 18.97687 0.000000       18.97687 
1 1 1 15  18  13 o 56.76624 16.90823 80.94090       49.30688 0.000000       0.000000 80.94090       49.30688 ?        ?        56.76624 16.90823 0.000000       16.90823 
1 1 1 15  18  14 o 180.6800 11.07953 795.2069       95.24592 0.000000       0.000000 795.2069       95.24592 ?        ?        180.6800 11.07953 0.000000       11.07953 
1 1 1 15  18  15 o 177.9375 12.31544 775.2202       104.1209 0.000000       0.000000 775.2202       104.1209 ?        ?        177.9375 12.31544 0.000000       12.31544 
1 1 1 15  18  16 o 99.66483 14.95819 249.4603       69.07585 0.000000       0.000000 249.4603       69.07585 ?        ?        99.66483 14.95819 0.000000       14.95819 
1 1 1 15  18  17 o 171.5948 13.15517 724.9180       107.0988 0.000000       0.000000 724.9180       107.0988 ?        ?        171.5948 13.15517 0.000000       13.15517 
1 1 1 15  18  18 o 96.58395 19.50284 242.7959       86.95005 0.000000       0.000000 242.7959       86.95005 ?        ?        96.58395 19.50284 0.000000       19.50284 
1 1 1 15  18  19 o 230.3267 11.42727 1296.690       125.4403 1182.157       200.2944 1370.604       160.9037 215.3002 19.67607 235.3297 14.36998 -20.02951      24.36481 
1 1 1 15  18  20 o 79.61380 17.71572 164.8070       65.69238 -195.4588      174.5445 224.2604       70.90598 51.80812 24.79715 93.63784 16.43818 -41.82972      29.75084 
1 1 1 15  18  21 o 179.5940 12.13842 793.9620       103.6104 798.7423       215.7637 792.5293       118.1206 170.7528 27.35336 178.6153 13.94283 -7.862549      30.70193 
1 1 1 15  18  22 o 50.36797 22.23418 -11.82862      104.8374 -89.94687      126.0861 163.1502       188.7051 48.00248 22.38890 82.78236 32.55093 -34.77988      39.50728 
1 1 1 15  18  23 o 132.5401 20.40941 465.2397       125.1820 437.6607       155.2810 516.4357       211.5661 124.1906 26.93024 129.4120 33.82407 -5.221390      43.23547 
1 1 1 15  18  24 o 74.91579 27.86709 146.2794       133.3074 129.0852       144.5075 244.4795       345.3470 73.27713 28.58153 94.96640 41.16795 -21.68927      50.11690 
1 1 1 15  18  25 o 99.65376 26.25076 290.2233       126.7849 260.3595       152.2692 357.7256       228.9279 92.42305 30.06806 102.8367 36.78063 -10.41361      47.50687 
1 1 1 15  18  26 o 104.9010 23.77376 313.7573       116.4643 253.9018       133.0261 510.2414       241.0173 91.68452 27.87689 119.8351 37.71085 -28.15054      46.89594 
1 1 1 15  18  27 o 107.2340 26.02195 343.5115       132.0368 388.6035       138.9315 -77.26553      424.4017 114.3050 26.01033 78.37182 37.80703 35.93320       45.89017 
1 1 1 15  18  28 o 63.98794 28.28844 52.62369       170.3078 78.78009       214.6922 8.226412       279.7083 70.03906 31.31303 70.55990 33.05209 -0.5208359     45.52962 
1 1 1 15  18  29 o 97.49840 33.03746 352.8463       183.3779 597.3373       229.5255 -78.63268      304.9153 123.9711 36.36647 66.76663 32.16781 57.20448       48.55192 
1 1 1 15  19  0  o 86.99211 22.09455 198.7830       92.05157 0.000000       0.000000 198.7830       92.05157 ?        ?        86.99211 22.09455 0.000000       22.09455 
1 1 1 15  19  1  o 37.73449 17.26116 -42.96476      69.82420 0.000000       0.000000 -42.96476      69.82420 ?        ?        37.73449 17.26116 0.000000       17.26116 
1 1 1 15  19  2  o 22.41399 11.03261 -86.75990      41.64830 0.000000       0.000000 -86.75990      41.64830 ?        ?        22.41399 11.03261 0.000000       11.03261 
1 1 1 15  19  3  o 60.25387 22.10604 77.37108       83.38436 0.000000       0.000000 77.37108       83.38436 ?        ?        60.25387 22.10604 0.000000       22.10604 
1 1 1 15  19  4  o 215.1312 11.96329 1128.490       122.5600 0.000000       0.000000 1128.490       122.5600 ?        ?        215.1312 11.96329 0.000000       11.96329 
1 1 1 15  19  5  o 184.0577 11.91155 826.7631       104.2539 0.000000       0.000000 826.7631       104.2539 ?        ?        184.0577 11.91155 0.000000       11.91155 
1 1 1 15  19  6  o 88.68516 14.60268 197.4386       59.76138 0.000000       0.000000 197.4386       59.76138 ?        ?        88.68516 14.60268 0.000000       14.60268 
1 1 1 15  19  7  o 117.2073 14.58547 341.4997       79.96710 0.000000       0.000000 341.4997       79.96710 ?        ?        117.2073 14.58547 0.000000       14.58547 
1 1 1 15  19  8  o 55.39898 17.32033 75.84698       50.92549 0.000000       0.000000 75.84698       50.92549 ?        ?        55.39898 17.32033 0.000000       17.32033 
1 1 1 15  19  9  o 111.0743 14.58097 307.3380       75.56187 0.000000       0.000000 307.3380       75.56187 ?        ?        111.0743 14.58097 0.000000       14.58097 
1 1 1 15  19  10 o 115.3343 14.09165 330.3105       76.08960 0.000000       0.000000 330.3105       76.08960 ?        ?        115.3343 14.09165 0.000000       14.09165 
1 1 1 15  19  11 o 174.5473 12.09564 745.2805       100.3127 0.000000       0.000000 745.2805       100.3127 ?        ?        174.5473 12.09564 0.000000       12.09564 
1 1 1 15  19  12 o 155.3004 13.62141 594.7380       100.1123 0.000000       0.000000 594.7380       100.1123 ?        ?        155.3004 13.62141 0.000000       13.62141 
1 1 1 15  19  13 o 220.4182 12.80475 1190.870       134.3548 0.000000       0.000000 1190.870       134.3548 ?        ?        220.4182 12.80475 0.000000       12.80475 
1 1 1 15  19  14 o 57.34872 17.44998 82.78975       52.11100 0.000000       0.000000 82.78975       52.11100 ?        ?        57.34872 17.44998 0.000000       17.44998 
1 1 1 15  19  15 o 137.2077 13.31201 465.4765       86.22732 0.000000       0.000000 465.4765       86.22732 ?        ?        137.2077 13.31201 0.000000       13.31201 
1 1 1 15  19  16 o 132.2850 15.79577 439.2070       97.92694 0.000000       0.000000 439.2070       97.92694 ?        ?        132.2850 15.79577 0.000000       15.79577 
1 1 1 15  19  17 o 118.7320 15.42118 354.4654       85.47125 0.000000       0.000000 354.4654       85.47125 ?        ?        118.7320 15.42118 0.000000       15.42118 
1 1 1 15  19  18 o 130.1898 17.75963 432.4622       107.6610 0.000000       0.000000 432.4622       107.6610 ?        ?        130.1898 17.75963 0.000000       17.75963 
1 1 1 15  19  19 o 108.8042 20.68016 312.2031       103.6429 0.000000       0.000000 312.2031       103.6429 ?        ?        108.8042 20.68016 0.000000       20.68016 
1 1 1 15  19  20 o 124.1230 17.10257 395.0727       98.79490 657.9740       292.6312 361.2524       104.9573 140.9856 40.97991 117.5214 19.35356 23.46420       45.32012 
1 1 1 15  19  21 o 199.5255 12.84696 988.9388       121.8970 1438.843       312.8002 908.3813       132.3610 223.8504 29.98128 190.1060 14.67673 33.74442       33.38089 
1 1 1 15  19  22 o 151.4388 13.82573 576.9354       98.99706 68.33218       315.4909 632.4831       104.2630 82.76933 37.39940 158.5726 13.89310 -75.80327      39.89653 
1 1 1 15  19  23 o 69.01203 29.05863 81.19685       163.2712 250.1741       270.5699 -15.56908      204.7513 92.08305 37.97741 65.78885 29.88668 26.29420       48.32698 
1 1 1 15  19  24 o 51.80092 25.10545 -220.7350      192.6457 -223.7563      232.7436 -214.1615      343.3070 57.63269 27.85040 70.27689 33.92715 -12.64421      43.89415 
1 1 1 15  19  25 o 61.00576 27.24279 10.88586       162.0070 -140.2422      239.8561 137.6748       219.6943 61.69170 29.40114 77.74812 33.25817 -16.05642      44.39069 
1 1 1 15  19  26 o 83.43206 31.77548 222.8428       175.5897 134.0249       250.7281 308.3303       245.9826 77.41340 34.26885 92.05341 36.85035 -14.64001      50.32199 
1 1 1 15  19  27 o 103.6863 34.97499 405.3311       205.5104 406.2317       233.2224 402.2029       434.6805 100.7114 36.96687 92.42932 42.56980 8.282059       56.38029 
1 1 1 15  20  0  o 150.2120 14.42081 560.5127       102.2918 0.000000       0.000000 560.5127       102.2918 ?        ?        150.2120 14.42081 0.000000       14.42081 
1 1 1 15  20  1  o 64.57469 22.92816 97.09407       88.80482 0.000000       0.000000 97.09407       88.80482 ?        ?        64.57469 22.92816 0.000000       22.92816 
1 1 1 15  20  2  o 57.17353 23.81013 31.59424       107.8005 0.000000       0.000000 31.59424       107.8005 ?        ?        57.17353 23.81013 0.000000       23.81013 
1 1 1 15  20  3  o 151.4279 12.05995 562.1210       86.58833 0.000000       0.000000 562.1210       86.58833 ?        ?        151.4279 12.05995 0.000000       12.05995 
1 1 1 15  20  4  o 216.4817 10.64635 1139.716       109.8490 0.000000       0.000000 1139.716       109.8490 ?        ?        216.4817 10.64635 0.000000       10.64635 
1 1 1 15  20  5  o 136.5819 16.22714 467.1384       103.8916 0.000000       0.000000 467.1384       103.8916 ?        ?        136.5819 16.22714 0.000000       16.22714 
1 1 1 15  20  6  o 105.2915 21.81280 290.5086       106.1891 0.000000       0.000000 290.5086       106.1891 ?        ?        105.2915 21.81280 0.000000       21.81280 
1 1 1 15  20  7  o 155.7364 13.88297 598.9691       102.2842 0.000000       0.000000 598.9691       102.2842 ?        ?        155.7364 13.88297 0.000000       13.88297 
1 1 1 15  20  8  o 100.3880 15.90557 254.5165       73.79610 0.000000       0.000000 254.5165       73.79610 ?        ?        100.3880 15.90557 0.000000       15.90557 
1 1 1 15  20  9  o 63.85653 21.75015 98.44006       79.49125 0.000000       0.000000 98.44006       79.49125 ?        ?        63.85653 21.75015 0.000000       21.75015 
1 1 1 15  20  10 o 150.2267 14.02652 558.5842       99.57627 0.000000       0.000000 558.5842       99.57627 ?        ?        150.2267 14.02652 0.000000       14.02652 
1 1 1 15  20  11 o 46.94802 19.71639 14.37889       74.85503 0.000000       0.000000 14.37889       74.85503 ?        ?        46.94802 19.71639 0.000000       19.71639 
1 1 1 15  20  12 o 145.5693 13.90766 525.1170       95.61503 0.000000       0.000000 525.1170       95.61503 ?        ?        145.5693 13.90766 0.000000       13.90766 
1 1 1 15  20  13 o 130.6544 14.18610 424.8586       87.19208 0.000000       0.000000 424.8586       87.19208 ?        ?        130.6544 14.18610 0.000000       14.18610 
1 1 1 15  20  14 o 82.33878 19.51514 178.0181       75.64127 0.000000       0.000000 178.0181       75.64127 ?        ?        82.33878 19.51514 0.000000       19.51514 
1 1 1 15  20  15 o 142.6326 17.51199 517.3272       116.9129 0.000000       0.000000 517.3272       116.9129 ?        ?        142.6326 17.51199 0.000000       17.51199 
1 1 1 15  20  16 o 109.5225 15.65122 304.3047       79.62434 0.000000       0.000000 304.3047       79.62434 ?        ?        109.5225 15.65122 0.000000       15.65122 
1 1 1 15  20  17 o 149.1196 14.52878 557.5344       102.2672 0.000000       0.000000 557.5344       102.2672 ?        ?        149.1196 14.52878 0.000000       14.52878 
1 1 1 15  20  18 o 157.9730 13.72097 623.7449       102.6009 0.000000       0.000000 623.7449       102.6009 ?        ?        157.9730 13.72097 0.000000       13.72097 
1 1 1 15  20  19 o 33.31157 15.96307 -92.43263      72.80647 0.000000       0.000000 -92.43263      72.80647 ?        ?        33.31157 15.96307 0.000000       15.96307 
1 1 1 15  20  20 o 74.10037 25.79697 147.9516       112.0279 0.000000       0.000000 147.9516       112.0279 ?        ?        74.10037 25.79697 0.000000       25.79697 
1 1 1 15  20  21 o 63.49203 22.60755 101.8026       86.39474 247.1589       183.8400 60.60175       97.87604 90.35743 32.87480 57.68948 23.19292 32.66795       40.23262 
1 1 1 15  20  22 o 116.2447 17.53059 355.2373       94.39989 398.0944       198.3051 342.6799       107.3425 110.1138 34.13984 112.1649 20.78247 -2.051147      39.96798 
1 1 1 15  20  23 o 46.24678 20.51470 -8.437010      90.31291 254.9946       178.5178 -99.05113      104.6997 89.59098 32.42409 41.24508 19.59063 48.34590       37.88290 
1 1 1 15  20  24 o 58.91999 26.02231 23.74499       143.7746 -219.5724      192.5141 330.6081       216.1963 50.85651 24.75086 96.09364 35.53624 -45.23714      43.30622 
1 1 1 15  20  25 o 101.0348 26.27662 315.3327       128.1025 304.0650       153.5281 341.1550       232.4178 95.51229 30.10345 94.36261 36.40050 1.149681       47.23573 
1 1 1 15  20  26 o 66.12077 26.65110 114.4823       129.5994 51.48591       151.4732 286.5822       250.3617 61.04149 26.84421 86.41446 36.15872 -25.37297      45.03404 
1 1 1 15  21  0  o 200.6762 14.34768 1003.704       136.7449 0.000000       0.000000 1003.704       136.7449 ?        ?        200.6762 14.34768 0.000000       14.34768 
1 1 1 15  21  1  o 168.1938 14.15278 705.1613       112.7500 0.000000       0.000000 705.1613       112.7500 ?        ?        168.1938 14.15278 0.000000       14.15278 
1 1 1 15  21  2  o 157.5504 15.13204 622.3695       112.5793 0.000000       0.000000 622.3695       112.5793 ?        ?        157.5504 15.13204 0.000000       15.13204 
1 1 1 15  21  3  o 45.39717 19.27492 9.750129       72.82759 0.000000       0.000000 9.750129       72.82759 ?        ?        45.39717 19.27492 0.000000       19.27492 
1 1 1 15  21  4  o 204.3484 13.41579 1032.907       130.3429 0.000000       0.000000 1032.907       130.3429 ?        ?        204.3484 13.41579 0.000000       13.41579 
1 1 1 15  21  5  o 232.0911 11.84488 1321.378       130.9962 0.000000       0.000000 1321.378       130.9962 ?        ?        232.0911 11.84488 0.000000       11.84488 
1 1 1 15  21  6  o 199.2915 13.29318 981.5828       125.9320 0.000000       0.000000 981.5828       125.9320 ?        ?        199.2915 13.29318 0.000000       13.29318 
1 1 1 15  21  7  o 128.5354 17.43790 421.3952       104.3970 0.000000       0.000000 421.3952       104.3970 ?        ?        128.5354 17.43790 0.000000       17.43790 
1 1 1 15  21  8  o 121.4646 18.23837 379.2617       102.6434 0.000000       0.000000 379.2617       102.6434 ?        ?        121.4646 18.23837 0.000000       18.23837 
1 1 1 15  21  9  o 68.36517 17.87624 122.1165       59.07747 0.000000       0.000000 122.1165       59.07747 ?        ?        68.36517 17.87624 0.000000       17.87624 
1 1 1 15  21  10 o 46.72168 17.60224 42.85864       53.53784 0.000000       0.000000 42.85864       53.53784 ?        ?        46.72168 17.60224 0.000000       17.60224 
1 1 1 15  21  11 o 39.71635 18.03389 -35.38772      74.44211 0.000000       0.000000 -35.38772      74.44211 ?        ?        39.71635 18.03389 0.000000       18.03389 
1 1 1 15  21  12 o 20.85093 10.32571 -87.56403      38.46618 0.000000       0.000000 -87.56403      38.46618 ?        ?        20.85093 10.32571 0.000000       10.32571 
1 1 1 15  21  13 o 134.9050 14.48203 457.2358       91.94354 0.000000       0.000000 457.2358       91.94354 ?        ?        134.9050 14.48203 0.000000       14.48203 
1 1 1 15  21  14 o 28.54086 13.22031 -33.24576      42.80272 0.000000       0.000000 -33.24576      42.80272 ?        ?        28.54086 13.22031 0.000000       13.22031 
1 1 1 15  21  15 o 70.42446 23.75788 130.1057       94.82738 0.000000       0.000000 130.1057       94.82738 ?        ?        70.42446 23.75788 0.000000       23.75788 
1 1 1 15  21  16 o 73.56837 25.65092 143.3994       110.7858 0.000000       0.000000 143.3994       110.7858 ?        ?        73.56837 25.65092 0.000000       25.65092 
1 1 1 15  21  17 o 127.7692 14.61941 414.1189       87.69675 0.000000       0.000000 414.1189       87.69675 ?        ?        127.7692 14.61941 0.000000       14.61941 
1 1 1 15  21  18 o 145.2162 15.34610 537.8132       104.9324 0.000000       0.000000 537.8132       104.9324 ?        ?        145.2162 15.34610 0.000000       15.34610 
1 1 1 15  21  19 o 73.11763 21.66219 147.0827       81.10400 0.000000       0.000000 147.0827       81.10400 ?        ?        73.11763 21.66219 0.000000       21.66219 
1 1 1 15  21  20 o 39.20320 17.57261 -18.92645      68.09009 0.000000       0.000000 -18.92645      68.09009 ?        ?        39.20320 17.57261 0.000000       17.57261 
1 1 1 15  21  21 o 91.65025 19.47194 230.1517       82.68510 0.000000       0.000000 230.1517       82.68510 ?        ?        91.65025 19.47194 0.000000       19.47194 
1 1 1 15  21  22 o 115.6047 15.84456 350.7509       85.27010 180.1648       202.8440 387.3661       93.97692 79.29568 32.81030 121.0029 16.68885 -41.70718      36.81078 
1 1 1 15  21  23 o 67.82859 19.98982 129.7487       69.21403 -225.9675      196.9551 179.8679       73.92941 50.64890 24.73441 80.00034 19.50762 -29.35144      31.50140 
1 1 1 15  22  0  o 40.75954 18.64290 -41.67257      81.42090 0.000000       0.000000 -41.67257      81.42090 ?        ?        40.75954 18.64290 0.000000       18.64290 
1 1 1 15  22  1  o 115.7435 26.29719 378.6637       142.1971 0.000000       0.000000 378.6637       142.1971 ?        ?        115.7435 26.29719 0.000000       26.29719 
1 1 1 15  22  2  o 68.72753 23.46245 121.9770       92.50885 0.000000       0.000000 121.9770       92.50885 ?        ?        68.72753 23.46245 0.000000       23.46245 
1 1 1 15  22  3  o 149.8153 12.71958 557.8544       90.24357 0.000000       0.000000 557.8544       90.24357 ?        ?        149.8153 12.71958 0.000000       12.71958 
1 1 1 15  22  4  o 157.6357 12.67427 616.9624       94.71378 0.000000       0.000000 616.9624       94.71378 ?        ?        157.6357 12.67427 0.000000       12.67427 
1 1 1 15  22  5  o 171.2956 12.09544 725.5505       98.41798 0.000000       0.000000 725.5505       98.41798 ?        ?        171.2956 12.09544 0.000000       12.09544 
1 1 1 15  22  6  o 111.5081 18.52503 324.6072       95.29442 0.000000       0.000000 324.6072       95.29442 ?        ?        111.5081 18.52503 0.000000       18.52503 
1 1 1 15  22  7  o 50.21766 22.61257 -31.67692      114.1876 0.000000       0.000000 -31.67692      114.1876 ?        ?        50.21766 22.61257 0.000000       22.61257 
1 1 1 15  22  8  o 181.8956 13.48936 824.7188       116.4715 0.000000       0.000000 824.7188       116.4715 ?        ?        181.8956 13.48936 0.000000       13.48936 
1 1 1 15  22  9  f 63.08317 18.59834 104.3991       59.90402 0.000000       0.000000 104.3991       59.90402 ?        ?        63.08317 18.59834 0.000000       18.59834 
1 1 1 15  22  10 o 110.8688 15.44277 313.7151       79.63615 0.000000       0.000000 313.7151       79.63615 ?        ?        110.8688 15.44277 0.000000       15.44277 
1 1 1 15  22  11 o 111.0027 36.48992 395.7198       223.9882 0.000000       0.000000 395.7198       223.9882 ?        ?        111.0027 36.48992 0.000000       36.48992 
1 1 1 15  22  12 o 24.36696 11.80268 -67.02982      42.41992 0.000000       0.000000 -67.02982      42.41992 ?        ?        24.36696 11.80268 0.000000       11.80268 
1 1 1 15  22  13 o 138.3896 13.44238 480.7379       87.81902 0.000000       0.000000 480.7379       87.81902 ?        ?        138.3896 13.44238 0.000000       13.44238 
1 1 1 15  22  14 o 68.12863 18.24566 123.9245       60.61452 0.000000       0.000000 123.9245       60.61452 ?        ?        68.12863 18.24566 0.000000       18.24566 
1 1 1 15  22  15 o 62.93061 22.99449 96.96102       90.08094 0.000000       0.000000 96.96102       90.08094 ?        ?        62.93061 22.99449 0.000000       22.99449 
1 1 1 15  22  16 o 137.9214 17.15764 495.6468       110.6960 0.000000       0.000000 495.6468       110.6960 ?        ?        137.9214 17.15764 0.000000       17.15764 
1 1 1 15  22  17 o 75.66558 25.97625 162.3077       113.4311 0.000000       0.000000 162.3077       113.4311 ?        ?        75.66558 25.97625 0.000000       25.97625 
1 1 1 15  22  18 o 86.18977 19.33592 203.8743       77.71073 0.000000       0.000000 203.8743       77.71073 ?        ?        86.18977 19.33592 0.000000       19.33592 
1 1 1 15  22  19 o 35.92715 16.68744 -46.34028      68.91141 0.000000       0.000000 -46.34028      68.91141 ?        ?        35.92715 16.68744 0.000000       16.68744 
1 1 1 15  22  20 o 37.88504 17.36612 -33.49030      71.16749 0.000000       0.000000 -33.49030      71.16749 ?        ?        37.88504 17.36612 0.000000       17.36612 
1 1 1 15  23  1  o 138.6566 16.42066 498.3250       106.7425 0.000000       0.000000 498.3250       106.7425 ?        ?        138.6566 16.42066 0.000000       16.42066 
1 1 1 15  23  2  o 77.16383 25.43516 168.6969       108.8025 0.000000       0.000000 168.6969       108.8025 ?        ?        77.16383 25.43516 0.000000       25.43516 
1 1 1 15  23  3  o 23.06189 11.37440 -93.60427      45.02414 0.000000       0.000000 -93.60427      45.02414 ?        ?        23.06189 11.37440 0.000000       11.37440 
1 1 1 15  23  4  o 83.71687 17.98445 187.3896       69.83372 0.000000       0.000000 187.3896       69.83372 ?        ?        83.71687 17.98445 0.000000       17.98445 
1 1 1 15  23  5  f 80.93633 18.11285 175.5354       68.33438 0.000000       0.000000 175.5354       68.33438 ?        ?        80.93633 18.11285 0.000000       18.11285 
1 1 1 15  23  6  o 55.80805 23.06594 46.24530       100.0969 0.000000       0.000000 46.24530       100.0969 ?        ?        55.80805 23.06594 0.000000       23.06594 
1 1 1 15  23  7  o 34.36250 16.42185 -89.29351      75.91992 0.000000       0.000000 -89.29351      75.91992 ?        ?        34.36250 16.42185 0.000000       16.42185 
1 1 1 15  23  8  o 88.03254 21.11739 213.9257       87.73485 0.000000       0.000000 213.9257       87.73485 ?        ?        88.03254 21.11739 0.000000       21.11739 
1 1 1 15  23  9  o 55.29937 21.90819 58.94262       86.06172 0.000000       0.000000 58.94262       86.06172 ?        ?        55.29937 21.90819 0.000000       21.90819 
1 1 1 15  23  10 o 121.0927 46.17477 630.2838       371.0722 0.000000       0.000000 630.2838       371.0722 ?        ?        121.0927 46.17477 0.000000       46.17477 
1 1 1 15  23  11 o 123.0696 13.79062 385.1086       79.74759 0.000000       0.000000 385.1086       79.74759 ?        ?        123.0696 13.79062 0.000000       13.79062 
1 1 1 15  23  12 o 51.44407 18.31978 63.53022       56.73259 0.000000       0.000000 63.53022       56.73259 ?        ?        51.44407 18.31978 0.000000       18.31978 
1 1 1 15  23  13 o 35.44999 15.43744 -2.430966      49.02001 0.000000       0.000000 -2.430966      49.02001 ?        ?        35.44999 15.43744 0.000000       15.43744 
1 1 1 15  23  14 o 38.45544 16.21805 10.96701       50.98725 0.000000       0.000000 10.96701       50.98725 ?        ?        38.45544 16.21805 0.000000       16.21805 
1 1 1 15  23  15 o 47.07756 19.81696 24.25981       75.89816 0.000000       0.000000 24.25981       75.89816 ?        ?        47.07756 19.81696 0.000000       19.81696 
1 1 1 15  23  16 o 86.65782 23.09506 218.9309       97.41135 0.000000       0.000000 218.9309       97.41135 ?        ?        86.65782 23.09506 0.000000       23.09506 
1 1 1 16  -7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -6  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -5  17 o 133.8160 9.196716 444.9180       58.47903 472.1338       104.6484 432.5603       70.51676 132.1940 16.94753 130.6224 11.40619 1.571564       20.42840 
1 1 1 16  -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -4  16 o 51.87674 15.94972 70.19190       43.39042 71.31367       116.7172 70.01201       46.74028 61.02320 25.03148 52.01055 16.63600 9.012653       30.05548 
1 1 1 16  -4  17 o 62.63223 14.11948 103.3348       41.26526 145.8096       88.72689 91.61180       46.61332 71.49978 22.92609 58.47422 16.14400 13.02556       28.03987 
1 1 1 16  -4  18 o 79.13232 18.11328 172.4668       67.04301 287.7839       117.9324 117.4037       81.49221 97.52039 25.13601 64.86694 22.02330 32.65345       33.41923 
1 1 1 16  -4  19 o 45.91503 18.85984 32.98447       66.37360 -52.15529      152.5563 52.86364       73.71619 52.91354 24.66204 50.85168 20.23403 2.061859       31.90034 
1 1 1 16  -4  20 o 28.58988 13.94940 -99.58846      62.24238 -98.62641      175.7755 -99.72639      66.55466 52.88343 25.19370 29.97332 14.57959 22.91012       29.10820 
1 1 1 16  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -3  15 o 34.35749 13.68211 16.94406       33.73264 0.000000       0.000000 16.94406       33.73264 ?        ?        34.35749 13.68211 0.000000       13.68211 
1 1 1 16  -3  16 o 72.17850 16.09772 137.5113       54.13452 0.000000       0.000000 137.5113       54.13452 ?        ?        72.17850 16.09772 0.000000       16.09772 
1 1 1 16  -3  17 o 93.52358 15.02489 226.5971       64.90541 419.5600       151.5706 183.2679       71.82384 119.1283 27.21111 82.27293 18.68728 36.85539       33.00998 
1 1 1 16  -3  18 o 45.96135 18.24845 36.71939       59.83313 -11.83183      111.3239 56.44180       70.95256 50.48503 22.56109 52.06085 20.10421 -1.575825      30.21891 
1 1 1 16  -3  19 o 53.44923 21.01859 57.92988       78.68570 122.3281       134.8793 24.70612       96.87967 69.82341 27.50009 51.65065 22.08973 18.17276       35.27337 
1 1 1 16  -3  20 o 160.9447 13.80048 662.3846       105.1649 716.7748       193.1171 639.4555       125.3876 154.3698 27.15794 155.4310 17.15891 -1.061203      32.12447 
1 1 1 16  -3  21 o 43.66152 19.56560 -12.23641      84.34701 -34.59584      116.8323 12.10413       121.8983 48.35117 22.19591 53.69120 23.82438 -5.340027      32.56163 
1 1 1 16  -3  22 o 64.09452 27.95496 75.27364       161.2814 0.000000       0.000000 75.27364       161.2814 ?        ?        64.09452 27.95496 0.000000       27.95496 
1 1 1 16  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -2  15 o 82.74874 11.50551 170.7707       44.28770 101.3535       60.95166 248.4091       64.46001 62.48009 18.84306 99.23967 13.97249 -36.75957      23.45829 
1 1 1 16  -2  16 o 126.3348 14.26519 401.8174       84.65552 0.000000       0.000000 401.8174       84.65552 ?        ?        126.3348 14.26519 0.000000       14.26519 
1 1 1 16  -2  17 o 37.50847 16.71555 -16.50244      60.66663 -190.0303      227.6664 -3.238922      62.94246 59.63171 28.48149 40.18142 17.49542 19.45030       33.42581 
1 1 1 16  -2  18 o 178.1610 10.60680 782.2276       89.93627 813.9108       140.9857 760.4884       116.7836 177.8505 16.77936 173.6276 14.19245 4.222885       21.97664 
1 1 1 16  -2  19 o 62.17737 24.10369 86.50628       102.2833 88.24139       129.7881 83.66243       166.1593 65.69751 26.60235 69.24815 29.24463 -3.550636      39.53396 
1 1 1 16  -2  20 o 53.38108 23.71762 -3.346385      121.2028 48.33834       153.8047 -88.03002      196.8739 63.72932 27.55023 59.23969 27.74296 4.489628       39.09843 
1 1 1 16  -2  21 o 171.6718 16.30318 765.3741       132.2033 676.3896       212.7425 821.3551       168.7398 146.8403 31.26356 173.8248 20.71165 -26.98456      37.50177 
1 1 1 16  -2  22 o 181.1766 19.07481 884.0496       162.7470 0.000000       0.000000 884.0496       162.7470 ?        ?        181.1766 19.07481 0.000000       19.07481 
1 1 1 16  -2  23 f 62.72601 24.82775 96.60375       110.4340 242.7295       177.9197 5.024818       140.8505 84.66008 32.04547 55.98138 25.16901 28.67870       40.74790 
1 1 1 16  -2  24 o 46.96418 20.28114 18.42516       83.17515 -373.8047      293.0563 52.78881       86.74219 56.18675 27.93980 52.64050 21.58450 3.546249       35.30614 
1 1 1 16  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  -1  14 o 75.36958 15.14882 145.4854       52.69089 0.000000       0.000000 145.4854       52.69089 ?        ?        75.36958 15.14882 0.000000       15.14882 
1 1 1 16  -1  15 o 93.16282 10.80134 214.2699       47.21873 272.5909       69.52795 164.3441       64.32937 104.0898 14.35316 79.47239 17.41333 24.61742       22.56628 
1 1 1 16  -1  16 o 57.58194 25.57529 -17.15811      140.8106 0.000000       0.000000 -17.15811      140.8106 ?        ?        57.58194 25.57529 0.000000       25.57529 
1 1 1 16  -1  17 o 166.2360 14.35826 689.9684       112.9955 795.6215       208.1979 645.8530       134.5335 170.6604 26.36614 158.8801 18.02981 11.78029       31.94131 
1 1 1 16  -1  18 o 36.93967 16.85392 -35.51097      66.00947 18.44444       188.7307 -43.03120      70.45961 68.14199 29.96563 37.49904 17.22259 30.64295       34.56236 
1 1 1 16  -1  19 o 96.52872 17.96133 244.3261       79.84050 301.7140       141.2685 217.3925       96.77925 102.0711 28.07504 88.91770 22.69316 13.15337       36.09969 
1 1 1 16  -1  20 o 79.91481 22.51873 176.8500       89.70091 273.6681       152.0482 125.1646       111.0931 95.56789 29.93534 70.01949 25.54346 25.54840       39.35217 
1 1 1 16  -1  21 o 59.29622 24.80996 50.85083       117.8562 63.28938       222.3573 45.99121       138.9848 73.27631 32.36230 61.89382 26.46396 11.38249       41.80502 
1 1 1 16  -1  22 o 53.80390 23.32784 18.06076       110.9255 -120.4637      160.8458 143.6953       153.1796 51.54488 24.42416 74.59985 29.32917 -23.05498      38.16726 
1 1 1 16  -1  23 o 130.9153 24.84471 493.8104       149.8142 509.6223       295.7293 488.3516       173.7609 112.6009 41.57596 125.7932 29.42020 -13.19232      50.93239 
1 1 1 16  -1  24 o 185.1692 18.90841 923.8098       165.0440 1042.060       322.0615 881.6953       192.1998 165.1539 40.98378 175.8127 23.45050 -10.65877      47.21861 
1 1 1 16  -1  25 o 68.38571 30.17486 85.63041       192.8950 347.8020       425.3279 17.74363       216.4331 90.02063 41.68982 65.44945 30.10551 24.57118       51.42356 
1 1 1 16  -1  26 o 62.51369 28.38059 34.57334       184.2706 26.14716       315.7884 38.92382       226.9077 71.29269 33.90853 66.42890 30.65300 4.863785       45.70990 
1 1 1 16  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0   13 o 44.65928 15.59353 44.60815       40.95006 0.000000       0.000000 44.60815       40.95006 ?        ?        44.65928 15.59353 0.000000       15.59353 
1 1 1 16  0   14 o 101.2866 10.70895 252.0200       51.07260 234.8557       75.83129 266.2695       69.09316 95.76605 17.19447 103.0656 14.41586 -7.299515      22.43807 
1 1 1 16  0   15 o 89.78616 13.26716 201.7879       55.23737 217.6264       84.19115 189.8171       73.19324 91.11341 19.88712 85.41929 18.46213 5.694122       27.13573 
1 1 1 16  0   16 o 100.9745 14.54433 256.5205       68.19004 276.4533       105.4222 242.1817       89.41361 101.8868 22.26585 96.04256 20.11837 5.844292       30.00861 
1 1 1 16  0   17 o 151.2337 11.47359 561.7500       82.33865 559.0362       117.5882 564.3608       115.3334 148.6266 16.84520 149.5523 16.39937 -0.9256287     23.50957 
1 1 1 16  0   18 o 223.1440 11.37917 1220.007       120.9951 1807.884       211.4531 933.8195       147.5355 268.2394 16.56945 192.7358 16.15992 75.50368       23.14497 
1 1 1 16  0   19 o 226.6847 10.84695 1257.134       117.2131 1598.212       173.3820 970.0425       159.0698 253.5250 14.36332 195.6630 17.17897 57.86201       22.39246 
1 1 1 16  0   20 o 345.1483 10.80194 2914.812       178.0249 3418.037       228.0312 2129.372       284.8852 372.0294 12.83986 285.9094 20.98795 86.12003       24.60398 
1 1 1 16  0   21 o 79.28233 29.91104 162.0147       154.7133 366.9296       215.7428 -54.93184      221.9862 107.6588 35.82856 66.59447 30.57972 41.06435       47.10419 
1 1 1 16  0   22 o 205.9419 16.43511 1086.008       160.4759 1516.028       265.6635 838.9538       201.3649 235.1854 23.96157 173.6324 24.97502 61.55296       34.61081 
1 1 1 16  0   23 o 86.42464 32.29702 223.6184       179.4653 33.23971       270.4853 373.3375       239.8684 75.31559 34.26776 103.7859 37.58165 -28.47029      50.85922 
1 1 1 16  0   24 o 59.96196 27.79169 -57.80869      189.5878 45.78171       294.9115 -130.7747      247.5098 77.06891 35.33649 63.32227 30.08960 13.74664       46.41176 
1 1 1 16  0   25 o 66.56860 30.05184 23.74013       203.1651 14.97404       314.6024 30.01115       266.0900 75.52146 35.27077 72.76543 33.43784 2.756035       48.60161 
1 1 1 16  0   26 o 60.63373 26.46906 46.79821       144.8686 153.3932       337.2398 22.67692       160.4245 81.00061 37.37432 60.33712 27.01488 20.66349       46.11555 
1 1 1 16  0   27 o 61.97510 27.32412 56.06961       157.8681 320.1909       468.7844 22.28476       167.6611 86.76865 41.28199 60.14441 27.21163 26.62424       49.44366 
1 1 1 16  1   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   12 o 89.14829 8.693433 193.4418       36.58190 0.000000       0.000000 193.4418       36.58190 ?        ?        89.14829 8.693433 0.000000       8.693433 
1 1 1 16  1   13 f 66.36023 10.85040 109.4124       33.23552 0.000000       0.000000 109.4124       33.23552 ?        ?        66.36023 10.85040 0.000000       10.85040 
1 1 1 16  1   14 o 112.8182 11.24412 311.9926       59.84078 302.9542       72.72504 330.9420       105.3018 110.3793 14.10294 113.3396 20.17278 -2.960258      24.61370 
1 1 1 16  1   15 o 195.9261 9.235643 930.0004       86.26680 990.0886       114.5161 851.1613       131.1725 201.2794 11.95417 185.4291 14.92233 15.85028       19.12009 
1 1 1 16  1   16 o 107.8379 15.09442 291.9860       75.69234 351.8880       98.31056 204.7831       118.6164 117.4406 18.08937 87.34981 26.27377 30.09080       31.89885 
1 1 1 16  1   17 o 58.86683 21.39792 76.85833       77.86086 121.6373       100.0722 8.170213       123.9416 70.33641 24.38763 57.33406 24.75832 13.00235       34.75242 
1 1 1 16  1   18 o 111.6802 17.98252 319.9575       92.75452 344.3743       123.8775 288.8005       139.9348 113.4079 23.61596 101.9705 27.90025 11.43738       36.55322 
1 1 1 16  1   19 o 141.0917 16.28709 502.5434       107.8492 659.5526       145.7808 312.7169       160.2936 160.1843 19.43280 104.7867 30.29194 55.39767       35.98938 
1 1 1 16  1   20 o 85.36919 21.50549 195.0803       87.71622 207.5244       115.7344 178.2835       134.4600 87.02437 25.90054 82.05354 28.27753 4.970833       38.34653 
1 1 1 16  1   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1   22 o 204.9751 21.16279 1103.173       204.4091 1188.174       319.5500 1044.302       265.9351 198.8218 34.88945 191.1984 30.08553 7.623367       46.06966 
1 1 1 16  1   23 o 68.08801 29.90345 32.83820       187.3966 -92.27194      276.2966 139.4201       255.0181 70.58444 32.99412 83.51566 35.78117 -12.93122      48.67139 
1 1 1 16  1   24 o 62.82263 27.77980 17.20291       164.3317 -40.38974      209.9180 108.3648       264.1027 64.65630 29.70706 80.31480 35.37840 -15.65849      46.19676 
1 1 1 16  1   25 o 45.60795 22.09945 -186.4066      149.0764 -203.1343      177.6680 -146.6136      274.0276 49.98689 24.19847 65.79787 31.37693 -15.81097      39.62421 
1 1 1 16  1   26 o 63.42302 26.19559 77.78004       128.9847 33.28906       192.7105 113.8868       173.6055 66.49886 29.70294 71.94321 30.10719 -5.444344      42.29312 
1 1 1 16  1   27 o 69.07957 28.48176 115.3923       152.1218 174.9870       247.7399 79.32277       192.7359 79.82584 34.73394 68.84164 30.27732 10.98420       46.07779 
1 1 1 16  1   28 o 57.80634 26.72850 -21.92360      173.8051 331.5147       367.2108 -123.9610      197.3052 88.28730 40.07452 54.80235 26.26606 33.48495       47.91526 
1 1 1 16  2   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2   10 o 63.86528 19.99894 101.7045       67.86718 0.000000       0.000000 101.7045       67.86718 ?        ?        63.86528 19.99894 0.000000       19.99894 
1 1 1 16  2   11 o 60.26802 12.42613 91.45477       34.61389 0.000000       0.000000 91.45477       34.61389 ?        ?        60.26802 12.42613 0.000000       12.42613 
1 1 1 16  2   12 o 114.7675 9.046299 319.6832       49.23513 0.000000       0.000000 319.6832       49.23513 ?        ?        114.7675 9.046299 0.000000       9.046299 
1 1 1 16  2   13 o 70.82207 11.65929 124.7934       38.10489 0.000000       0.000000 124.7934       38.10489 ?        ?        70.82207 11.65929 0.000000       11.65929 
1 1 1 16  2   14 o 178.2274 9.447833 769.2410       80.21596 690.0737       101.2994 902.3511       131.3530 167.8902 12.71493 191.4845 14.45496 -23.59428      19.25137 
1 1 1 16  2   15 o 113.0537 13.79409 316.7061       73.01464 230.6568       90.28730 479.3422       124.1256 94.21499 20.61857 137.3843 19.44047 -43.16935      28.33827 
1 1 1 16  2   16 o 229.4736 9.900139 1276.336       108.3576 1396.723       142.6374 1112.051       166.6254 239.0997 12.52167 211.5141 16.61077 27.58562       20.80169 
1 1 1 16  2   17 o 123.8119 13.71271 379.7357       79.81067 430.9506       94.73282 254.4839       148.1474 131.4280 15.36632 96.71380 29.42121 34.71421       33.19234 
1 1 1 16  2   18 o 115.0242 18.64182 339.2094       99.00867 387.7775       126.3328 261.8860       159.4027 121.3901 22.59971 97.42162 30.66978 23.96851       38.09702 
1 1 1 16  2   19 o 78.30391 18.29193 159.7276       67.23508 143.2540       87.30556 183.7369       105.3992 74.01248 22.59978 82.89574 24.72803 -8.883263      33.49964 
1 1 1 16  2   20 o 137.5748 19.73255 488.4982       126.0762 522.6950       204.4739 467.5227       160.1404 134.8343 32.17021 130.8655 26.50547 3.968872       41.68288 
1 1 1 16  2   21 o 117.0084 22.73998 365.4219       122.6243 213.8371       138.9254 900.0317       260.8990 88.29160 28.72013 177.7575 31.87064 -89.46587      42.90202 
1 1 1 16  2   22 o 100.1222 31.51354 288.9494       168.3023 362.0563       225.1538 196.3731       253.3669 109.3160 36.60633 91.40017 37.11063 17.91584       52.12699 
1 1 1 16  2   23 o 165.6815 21.72270 724.5815       167.9258 803.8644       215.4842 601.9721       267.9708 170.1652 27.41879 136.6236 39.06447 33.54161       47.72655 
1 1 1 16  2   24 o 62.65873 26.86730 37.44820       144.0016 452.6684       342.3226 -51.82440      158.7287 112.7567 43.98754 57.01083 26.05858 55.74585       51.12683 
1 1 1 16  2   25 o 62.08425 29.14802 -107.2920      219.6521 94.08865       364.8304 -221.7944      275.0994 86.25931 39.45737 63.68042 30.64884 22.57888       49.96234 
1 1 1 16  2   26 o 65.93281 30.57020 -48.77890      229.7055 215.0060       378.2065 -202.9569      289.1447 91.19225 41.10022 65.14418 31.37063 26.04807       51.70440 
1 1 1 16  2   27 f 100.1818 29.37989 314.2985       149.8235 27.53735       240.5736 495.9868       191.4923 71.00401 32.31050 123.9076 32.07729 -52.90359      45.52935 
1 1 1 16  2   28 o 113.9770 34.28148 459.5146       201.9415 506.7345       254.1425 378.6323       332.6144 112.7826 38.87582 95.59460 40.90799 17.18801       56.43397 
1 1 1 16  2   29 o 78.40477 34.95555 178.8024       265.5909 719.2130       432.4928 -148.3732      336.5174 107.4765 46.32901 66.96453 32.62021 40.51199       56.66088 
1 1 1 16  3   0  o 155.2514 9.238773 583.3041       68.26369 0.000000       0.000000 583.3041       68.26369 ?        ?        155.2514 9.238773 0.000000       9.238773 
1 1 1 16  3   1  o 64.80331 15.12609 106.7364       46.00576 0.000000       0.000000 106.7364       46.00576 ?        ?        64.80331 15.12609 0.000000       15.12609 
1 1 1 16  3   2  f 188.1855 8.140574 853.8611       73.06699 0.000000       0.000000 853.8611       73.06699 ?        ?        188.1855 8.140574 0.000000       8.140574 
1 1 1 16  3   3  o 62.26344 14.28018 98.24406       41.60171 0.000000       0.000000 98.24406       41.60171 ?        ?        62.26344 14.28018 0.000000       14.28018 
1 1 1 16  3   4  o 128.2932 12.06844 402.5962       73.15293 0.000000       0.000000 402.5962       73.15293 ?        ?        128.2932 12.06844 0.000000       12.06844 
1 1 1 16  3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  3   6  o 220.6769 7.597319 1172.279       80.03454 0.000000       0.000000 1172.279       80.03454 ?        ?        220.6769 7.597319 0.000000       7.597319 
1 1 1 16  3   7  o 44.29363 13.67984 47.77053       31.87567 0.000000       0.000000 47.77053       31.87567 ?        ?        44.29363 13.67984 0.000000       13.67984 
1 1 1 16  3   8  o 102.4336 9.235421 255.0178       44.74278 0.000000       0.000000 255.0178       44.74278 ?        ?        102.4336 9.235421 0.000000       9.235421 
1 1 1 16  3   9  o 172.6268 8.652346 719.6693       71.18094 0.000000       0.000000 719.6693       71.18094 ?        ?        172.6268 8.652346 0.000000       8.652346 
1 1 1 16  3   10 o 223.3048 7.987157 1201.521       85.13312 0.000000       0.000000 1201.521       85.13312 ?        ?        223.3048 7.987157 0.000000       7.987157 
1 1 1 16  3   11 o 111.2347 9.837757 301.0933       51.77844 0.000000       0.000000 301.0933       51.77844 ?        ?        111.2347 9.837757 0.000000       9.837757 
1 1 1 16  3   12 o 106.8971 10.59217 279.0983       53.42155 0.000000       0.000000 279.0983       53.42155 ?        ?        106.8971 10.59217 0.000000       10.59217 
1 1 1 16  3   13 o 46.98624 14.27085 54.35561       34.87446 0.000000       0.000000 54.35561       34.87446 ?        ?        46.98624 14.27085 0.000000       14.27085 
1 1 1 16  3   14 o 157.9384 11.37415 607.9248       85.30934 667.5178       102.0555 469.7003       155.4287 165.0537 13.03895 133.6828 25.24414 31.37088       28.41269 
1 1 1 16  3   15 o 69.62287 20.98246 123.3854       75.59721 128.5755       87.18088 107.6547       151.7770 71.46782 22.70483 75.11081 29.29308 -3.642990      37.06203 
1 1 1 16  3   16 o 180.5350 11.35467 793.6801       97.50779 921.1897       128.2937 619.2817       150.0393 193.6754 13.94895 156.0291 20.61776 37.64632       24.89308 
1 1 1 16  3   17 o 92.47514 22.13637 224.3354       96.56523 242.8782       116.0965 182.7060       173.9524 95.52260 25.09955 87.25759 31.94262 8.265007       40.62411 
1 1 1 16  3   18 o 100.3524 17.48588 256.3984       80.84505 212.0207       89.61920 450.3233       187.3421 89.98423 21.18519 127.4455 31.03951 -37.46123      37.58009 
1 1 1 16  3   19 o 183.8909 17.26676 847.8465       150.0267 764.7773       212.2669 930.7638       212.0728 168.9915 27.19563 188.8230 24.03615 -19.83150      36.29516 
1 1 1 16  3   20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  3   21 o 80.48212 28.90039 162.6339       141.4929 100.0185       209.7330 214.9366       191.6852 79.56729 33.17954 90.88998 33.48784 -11.32269      47.14146 
1 1 1 16  3   22 o 149.3466 20.58648 579.4213       143.0835 645.8863       158.7708 292.0611       330.1317 157.1225 21.71604 104.3199 42.35933 52.80265       47.60146 
1 1 1 16  3   23 o 61.25783 26.77759 6.095127       148.7005 -134.2815      230.8290 105.6771       194.4165 64.39378 30.11894 77.65985 32.12634 -13.26607      44.03695 
1 1 1 16  3   24 o 73.98143 32.45174 38.61770       220.0815 -174.6830      289.1152 332.5265       339.3759 69.63943 32.92294 105.7397 42.94371 -36.10023      54.11176 
1 1 1 16  3   25 o 78.49188 31.67268 139.2998       183.2620 289.2605       355.2073 84.90334       213.9334 100.1922 42.55524 75.99442 32.66909 24.19779       53.64903 
1 1 1 16  3   26 o 83.93330 36.16383 152.7929       263.2911 51.98624       379.4631 246.3799       365.6222 85.08764 39.39573 94.83502 41.70580 -9.747383      57.37070 
1 1 1 16  3   27 o 55.79649 26.56653 -144.6517      194.8926 -68.81578      400.5381 -168.1759      223.0817 79.53937 37.93114 58.66528 28.06696 20.87409       47.18608 
1 1 1 16  3   28 o 52.53568 26.22919 -496.8632      269.3410 -964.6631      415.0289 -156.4936      354.0165 58.02691 29.41511 71.84714 34.62705 -13.82023      45.43436 
1 1 1 16  3   29 o 80.08202 30.38997 200.8348       160.2547 385.3300       250.5428 73.08839       208.4796 98.91798 37.88679 69.58899 31.00112 29.32899       48.95383 
1 1 1 16  3   30 o 56.58849 27.91529 -291.1158      271.6204 -166.3465      432.2527 -372.5309      349.1697 71.53251 35.27356 61.21456 30.44952 10.31795       46.59825 
1 1 1 16  4   0  o 79.94212 15.28830 161.1956       56.30235 0.000000       0.000000 161.1956       56.30235 ?        ?        79.94212 15.28830 0.000000       15.28830 
1 1 1 16  4   1  o 147.6807 9.775406 528.4296       68.63030 0.000000       0.000000 528.4296       68.63030 ?        ?        147.6807 9.775406 0.000000       9.775406 
1 1 1 16  4   2  o 85.12405 15.33488 182.1796       60.11307 0.000000       0.000000 182.1796       60.11307 ?        ?        85.12405 15.33488 0.000000       15.33488 
1 1 1 16  4   3  o 219.2961 8.375628 1158.920       87.65113 0.000000       0.000000 1158.920       87.65113 ?        ?        219.2961 8.375628 0.000000       8.375628 
1 1 1 16  4   4  o 144.1313 9.523270 502.9791       65.25472 0.000000       0.000000 502.9791       65.25472 ?        ?        144.1313 9.523270 0.000000       9.523270 
1 1 1 16  4   5  f 270.0999 7.833892 1755.512       101.0535 0.000000       0.000000 1755.512       101.0535 ?        ?        270.0999 7.833892 0.000000       7.833892 
1 1 1 16  4   6  o 168.6461 9.038950 687.0705       72.61277 0.000000       0.000000 687.0705       72.61277 ?        ?        168.6461 9.038950 0.000000       9.038950 
1 1 1 16  4   7  o 157.9814 9.091744 603.2583       68.37908 0.000000       0.000000 603.2583       68.37908 ?        ?        157.9814 9.091744 0.000000       9.091744 
1 1 1 16  4   8  o 312.5012 7.949491 2350.161       118.6716 0.000000       0.000000 2350.161       118.6716 ?        ?        312.5012 7.949491 0.000000       7.949491 
1 1 1 16  4   9  o 36.08186 13.24130 25.51182       29.92053 0.000000       0.000000 25.51182       29.92053 ?        ?        36.08186 13.24130 0.000000       13.24130 
1 1 1 16  4   10 o 103.7397 10.40528 262.5455       50.91083 0.000000       0.000000 262.5455       50.91083 ?        ?        103.7397 10.40528 0.000000       10.40528 
1 1 1 16  4   11 o 97.40147 10.55444 231.9323       48.36393 0.000000       0.000000 231.9323       48.36393 ?        ?        97.40147 10.55444 0.000000       10.55444 
1 1 1 16  4   12 o 271.0648 8.587882 1771.616       111.1525 0.000000       0.000000 1771.616       111.1525 ?        ?        271.0648 8.587882 0.000000       8.587882 
1 1 1 16  4   13 o 96.16400 9.597002 225.3623       43.53353 226.5326       86.18160 224.9613       50.44213 93.78975 19.84025 95.74212 11.23342 -1.952370      22.79967 
1 1 1 16  4   14 o 97.76859 15.60593 239.8570       70.49425 199.7551       91.38428 298.7881       110.7799 87.50669 21.89823 107.1638 22.34715 -19.65707      31.28782 
1 1 1 16  4   15 o 68.22169 20.25227 118.4160       70.83287 158.0249       91.95016 60.60434       111.0871 78.17912 23.04032 62.36509 24.83116 15.81404       33.87392 
1 1 1 16  4   16 o 121.4543 17.60743 371.5442       99.26119 387.1136       114.6093 324.8109       198.5621 123.0931 20.17319 108.7508 34.22950 14.34239       39.73180 
1 1 1 16  4   17 o 152.4472 15.76769 576.7137       113.2632 608.6866       133.5864 494.9546       213.6186 155.7004 18.29451 133.2128 33.56203 22.48755       38.22432 
1 1 1 16  4   18 o 142.0448 25.99289 533.1143       170.0148 577.2097       195.0801 393.8343       346.7053 146.3980 28.89836 119.1230 44.81224 27.27494       53.32215 
1 1 1 16  4   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  4   20 o 57.59534 23.83487 35.55556       107.0672 -3.565325      122.7891 159.6523       218.6934 56.09524 24.43013 87.62502 34.85617 -31.52979      42.56505 
1 1 1 16  4   21 o 69.35385 28.82664 62.56419       157.5701 273.4550       221.4596 -153.6592      224.2420 100.0096 36.12488 63.15368 29.58644 36.85592       46.69437 
1 1 1 16  4   22 f 239.7039 15.60494 1431.389       177.8600 1352.756       227.9752 1553.695       284.3195 229.2798 21.03168 242.5104 24.87486 -13.23055      32.57438 
1 1 1 16  4   23 o 225.9209 19.75045 1308.163       211.1821 1158.706       251.1005 1669.365       390.3592 207.7205 25.84202 239.4884 35.13803 -31.76790      43.61755 
1 1 1 16  4   24 o 73.18436 27.07622 127.8939       125.5356 35.17456       150.0888 343.8065       229.0351 64.43987 27.52532 106.9661 36.90408 -42.52620      46.03862 
1 1 1 16  4   25 o 63.27399 26.16026 57.69561       128.8120 118.5892       155.1473 -77.41497      231.1017 74.36558 29.43003 67.23277 30.99202 7.132805       42.73912 
1 1 1 16  4   26 o 87.24763 33.23048 211.1926       192.0451 246.5340       219.7449 96.92104       395.1353 92.26286 35.44527 90.22107 41.19122 2.041794       54.34228 
1 1 1 16  4   27 o 86.58442 33.90835 215.5140       204.0654 274.1799       235.8014 40.50925       407.2664 93.60466 36.51016 85.77159 40.08166 7.833069       54.21744 
1 1 1 16  4   28 o 59.70114 27.26719 -29.58052      173.3565 96.02157       243.7011 -158.2427      246.6519 76.67979 33.87204 62.04517 29.63724 14.63463       45.00756 
1 1 1 16  4   29 o 104.3616 41.37025 442.2082       307.0563 809.3712       442.3763 100.8581       426.5427 123.6024 49.43894 85.11190 40.16261 38.49046       63.69650 
1 1 1 16  4   30 o 119.6407 33.17384 499.0212       196.3547 673.1802       285.9631 343.6585       270.0911 125.7962 41.22354 92.95804 38.09858 32.83820       56.13272 
1 1 1 16  4   31 o 65.28226 30.33281 18.07321       227.9912 129.5097       464.7097 -17.25205      261.6440 79.82633 38.75913 65.99912 31.23702 13.82721       49.77973 
1 1 1 16  5   0  o 263.9959 8.435743 1678.793       106.3337 0.000000       0.000000 1678.793       106.3337 ?        ?        263.9959 8.435743 0.000000       8.435743 
1 1 1 16  5   1  o 454.9579 7.814610 4975.806       169.9757 0.000000       0.000000 4975.806       169.9757 ?        ?        454.9579 7.814610 0.000000       7.814610 
1 1 1 16  5   2  o 237.1947 9.131974 1357.090       103.3632 0.000000       0.000000 1357.090       103.3632 ?        ?        237.1947 9.131974 0.000000       9.131974 
1 1 1 16  5   3  o 261.3467 7.987851 1643.620       99.68854 0.000000       0.000000 1643.620       99.68854 ?        ?        261.3467 7.987851 0.000000       7.987851 
1 1 1 16  5   4  o 267.6029 8.199665 1723.709       104.7810 0.000000       0.000000 1723.709       104.7810 ?        ?        267.6029 8.199665 0.000000       8.199665 
1 1 1 16  5   5  o 220.5180 8.388481 1171.380       88.27612 0.000000       0.000000 1171.380       88.27612 ?        ?        220.5180 8.388481 0.000000       8.388481 
1 1 1 16  5   6  o 29.71445 12.91144 -5.138479      34.13324 0.000000       0.000000 -5.138479      34.13324 ?        ?        29.71445 12.91144 0.000000       12.91144 
1 1 1 16  5   7  o 122.4509 10.63610 364.7132       61.64923 0.000000       0.000000 364.7132       61.64923 ?        ?        122.4509 10.63610 0.000000       10.63610 
1 1 1 16  5   8  o 95.44175 11.26711 223.2063       50.42150 0.000000       0.000000 223.2063       50.42150 ?        ?        95.44175 11.26711 0.000000       11.26711 
1 1 1 16  5   9  o 104.3343 10.25770 265.2020       50.50565 0.000000       0.000000 265.2020       50.50565 ?        ?        104.3343 10.25770 0.000000       10.25770 
1 1 1 16  5   10 o 88.21548 12.97207 192.7943       53.07707 0.000000       0.000000 192.7943       53.07707 ?        ?        88.21548 12.97207 0.000000       12.97207 
1 1 1 16  5   11 o 122.4297 10.64641 364.8487       61.69682 0.000000       0.000000 364.8487       61.69682 ?        ?        122.4297 10.64641 0.000000       10.64641 
1 1 1 16  5   12 o 107.0014 11.69645 280.5359       58.86108 0.000000       0.000000 280.5359       58.86108 ?        ?        107.0014 11.69645 0.000000       11.69645 
1 1 1 16  5   13 o 209.6285 7.882969 1058.554       78.86314 1196.400       153.6882 1009.285       91.88226 220.8731 14.63680 204.3463 9.430379 16.52687       17.41172 
1 1 1 16  5   14 o 179.7350 11.38711 785.6697       97.34553 974.4322       122.7349 465.5489       159.8333 199.7718 12.91996 133.0121 26.06686 66.75974       29.09306 
1 1 1 16  5   15 o 70.08008 21.47799 124.2565       78.76010 121.6223       96.78721 129.4199       135.5078 70.90897 24.00189 76.39575 28.15475 -5.486786      36.99704 
1 1 1 16  5   16 o 126.4126 17.94993 402.4290       105.4367 407.5933       120.3374 385.3638       218.7519 126.2479 20.65067 117.4340 35.75647 8.813927       41.29135 
1 1 1 16  5   17 o 53.62551 22.39584 22.17901       95.77094 27.12839       99.95306 -33.28062      334.5870 55.27176 22.96509 86.59121 38.87284 -31.31945      45.14967 
1 1 1 16  5   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  5   19 o 77.16495 29.00635 129.3462       145.2028 224.3527       212.9958 46.85728       198.4686 95.48681 35.27934 74.77711 31.78692 20.70970       47.48727 
1 1 1 16  5   20 o 203.9931 17.86437 1040.967       172.4689 784.8196       242.2666 1304.174       245.5829 169.5243 31.03521 225.2753 23.13037 -55.75105      38.70656 
1 1 1 16  5   21 o 128.9345 23.45821 437.3575       139.2760 500.5201       152.3123 115.0340       344.0730 137.8699 23.97787 94.98338 41.13386 42.88653       47.61232 
1 1 1 16  5   22 o 108.3433 34.70226 338.0082       203.3279 417.9586       239.7059 132.9207       383.9176 118.4020 37.65231 97.94840 42.91593 20.45363       57.09180 
1 1 1 16  5   23 o 213.8566 17.11049 1150.440       173.4835 1145.544       214.1354 1159.791       295.9401 210.3737 21.59698 203.5581 31.41953 6.815643       38.12632 
1 1 1 16  5   24 o 100.0126 26.93173 278.1049       131.6232 336.9389       150.4597 86.27576       271.6836 109.3651 28.49451 84.12791 36.49166 25.23723       46.29879 
1 1 1 16  5   25 o 295.2492 16.45714 2191.195       231.3820 2247.688       296.3518 2102.984       370.3172 294.3687 21.19952 276.3181 28.43770 18.05057       35.47002 
1 1 1 16  5   26 o 73.01586 31.14906 70.48116       191.7748 -16.93775      271.2504 157.8486       271.1707 75.56658 34.35627 87.86638 37.24530 -12.29980      50.67115 
1 1 1 16  5   27 o 132.4010 39.91682 605.3911       273.5565 911.8834       339.4805 37.86848       461.9518 159.6343 43.36547 90.31392 42.35999 69.32040       60.62122 
1 1 1 16  5   28 o 119.6245 35.77324 481.4008       220.3735 527.2760       251.2876 328.6054       458.6030 122.0625 38.51854 99.61702 45.04396 22.44544       59.26750 
1 1 1 16  5   29 o 83.04563 32.50649 203.2558       187.4639 137.7389       254.1470 281.4425       277.6354 80.04677 34.99864 92.32921 38.31068 -12.28244      51.89040 
1 1 1 16  5   30 o 88.33026 35.87465 264.3368       236.8517 -151.1261      453.7681 419.9168       277.6801 76.86075 37.53682 102.3076 39.69991 -25.44684      54.63603 
1 1 1 16  5   31 o 95.23327 37.09116 368.5005       243.0820 509.2416       284.1090 -15.99213      469.5898 106.0696 40.41372 77.80904 38.03979 28.26057       55.50040 
1 1 1 16  6   0  o 53.75011 18.79196 64.25797       59.48289 0.000000       0.000000 64.25797       59.48289 ?        ?        53.75011 18.79196 0.000000       18.79196 
1 1 1 16  6   1  o 193.5634 9.765717 905.3984       90.08041 0.000000       0.000000 905.3984       90.08041 ?        ?        193.5634 9.765717 0.000000       9.765717 
1 1 1 16  6   2  o 309.1260 8.037303 2298.603       118.6822 0.000000       0.000000 2298.603       118.6822 ?        ?        309.1260 8.037303 0.000000       8.037303 
1 1 1 16  6   3  o 214.8509 8.689707 1112.392       89.07455 0.000000       0.000000 1112.392       89.07455 ?        ?        214.8509 8.689707 0.000000       8.689707 
1 1 1 16  6   4  o 276.7740 9.015163 1845.846       119.1317 0.000000       0.000000 1845.846       119.1317 ?        ?        276.7740 9.015163 0.000000       9.015163 
1 1 1 16  6   5  o 170.2218 9.185101 699.6374       74.47251 0.000000       0.000000 699.6374       74.47251 ?        ?        170.2218 9.185101 0.000000       9.185101 
1 1 1 16  6   6  o 134.8019 10.16373 440.6551       65.01993 0.000000       0.000000 440.6551       65.01993 ?        ?        134.8019 10.16373 0.000000       10.16373 
1 1 1 16  6   7  o 217.5688 8.701921 1140.738       90.33229 0.000000       0.000000 1140.738       90.33229 ?        ?        217.5688 8.701921 0.000000       8.701921 
1 1 1 16  6   8  o 62.74568 15.15797 99.74731       44.95699 0.000000       0.000000 99.74731       44.95699 ?        ?        62.74568 15.15797 0.000000       15.15797 
1 1 1 16  6   9  o 149.4207 9.594661 540.1888       68.17851 0.000000       0.000000 540.1888       68.17851 ?        ?        149.4207 9.594661 0.000000       9.594661 
1 1 1 16  6   10 o 210.4556 8.991555 1068.356       90.26130 0.000000       0.000000 1068.356       90.26130 ?        ?        210.4556 8.991555 0.000000       8.991555 
1 1 1 16  6   11 f 55.03794 14.77728 76.39474       39.69815 0.000000       0.000000 76.39474       39.69815 ?        ?        55.03794 14.77728 0.000000       14.77728 
1 1 1 16  6   12 o 276.7940 8.910673 1847.057       117.7631 0.000000       0.000000 1847.057       117.7631 ?        ?        276.7940 8.910673 0.000000       8.910673 
1 1 1 16  6   13 o 173.3918 10.25561 728.4865       84.63580 0.000000       0.000000 728.4865       84.63580 ?        ?        173.3918 10.25561 0.000000       10.25561 
1 1 1 16  6   14 o 299.6742 10.26974 2171.945       146.9180 2118.078       175.8373 2296.513       267.3963 295.1103 12.49113 304.2771 18.46833 -9.166779      22.29591 
1 1 1 16  6   15 o 238.0823 10.64085 1373.529       120.8129 1297.080       151.2971 1508.048       200.6939 230.2847 13.80561 246.9108 17.10722 -16.62611      21.98299 
1 1 1 16  6   16 o 117.2926 20.99195 353.2361       113.3926 331.9586       145.2894 386.3932       181.3686 111.3826 27.46075 118.8449 31.44007 -7.462303      41.74411 
1 1 1 16  6   17 o 284.8182 13.81067 1984.047       187.4970 2072.275       206.4442 1568.500       448.0324 290.5554 14.91146 233.0820 41.73898 57.47343       44.32262 
1 1 1 16  6   18 o 134.2777 19.43618 457.0970       121.1492 412.3045       137.3094 614.4984       257.3960 125.7216 23.71385 147.0367 36.72641 -21.31516      43.71700 
1 1 1 16  6   19 o 184.4322 18.15487 850.5816       158.0074 859.0476       171.1138 801.5814       411.6646 184.6554 19.68591 158.9540 49.17314 25.70145       52.96728 
1 1 1 16  6   20 o 243.9474 16.66155 1475.338       193.1546 1522.909       255.6189 1412.026       294.8957 244.6211 22.09496 232.0272 27.09340 12.59389       34.96054 
1 1 1 16  6   21 o 192.1759 20.42351 938.0909       184.7750 758.6885       253.6903 1140.795       269.6631 164.8674 33.33281 207.1459 27.94117 -42.27847      43.49466 
1 1 1 16  6   22 o 105.6538 25.76096 302.0506       128.9317 262.0698       150.7556 410.9349       248.7887 97.64108 29.67415 117.9669 38.43783 -20.32581      48.55947 
1 1 1 16  6   23 o 62.33089 27.63796 -17.00188      163.7505 -226.4876      246.1227 149.3738       219.3408 62.67572 29.84556 85.67015 34.62141 -22.99443      45.70994 
1 1 1 16  6   24 o 232.6491 21.53029 1400.829       236.7586 1329.673       291.0012 1540.161       407.2042 220.8374 28.20507 226.0343 39.09595 -5.196884      48.20808 
1 1 1 16  6   25 f 252.3237 20.22217 1638.534       241.9057 1647.667       294.6805 1619.663       423.6082 248.3185 25.16908 229.1484 40.12832 19.17015       47.36839 
1 1 1 16  6   26 o 181.5513 21.67161 865.7386       184.3942 940.0310       201.5283 483.7258       456.9860 188.3472 22.84703 118.4450 49.14948 69.90223       54.20016 
1 1 1 16  6   27 o 139.9960 32.07581 586.6273       210.0705 704.5185       290.0092 456.4860       304.7043 144.7903 40.37980 114.8524 42.23770 29.93790       58.43416 
1 1 1 16  6   28 o 92.55172 35.32727 262.6638       217.3453 521.7130       301.6690 -16.94694      313.4127 118.2669 42.23043 77.10708 35.73639 41.15984       55.32177 
1 1 1 16  6   29 o 77.25870 33.70559 111.0683       234.5959 267.9302       361.6596 -2.879236      308.2433 93.54284 41.29462 75.82244 35.24363 17.72040       54.28959 
1 1 1 16  6   30 o 72.80481 31.36283 103.8905       197.9493 108.8834       255.1404 96.34039       313.7453 77.31838 34.37895 80.05082 36.60735 -2.732437      50.21962 
1 1 1 16  6   31 o 66.62042 32.52649 -206.8283      340.0194 75.37952       452.4710 -572.9426      515.3646 81.60087 39.28212 69.36037 34.86308 12.24049       52.52161 
1 1 1 16  6   32 o 86.99612 36.36889 306.3883       252.9333 100.7267       288.8724 982.0875       523.6079 73.56097 34.16713 110.6149 49.21301 -37.05389      59.91087 
1 1 1 16  7   0  f 81.72285 17.82372 170.0705       67.67296 0.000000       0.000000 170.0705       67.67296 ?        ?        81.72285 17.82372 0.000000       17.82372 
1 1 1 16  7   1  o 194.4072 9.286733 912.1114       86.06490 0.000000       0.000000 912.1114       86.06490 ?        ?        194.4072 9.286733 0.000000       9.286733 
1 1 1 16  7   2  o 172.1218 10.68278 717.6552       87.47471 0.000000       0.000000 717.6552       87.47471 ?        ?        172.1218 10.68278 0.000000       10.68278 
1 1 1 16  7   3  o 59.16871 16.67572 88.00256       49.18571 0.000000       0.000000 88.00256       49.18571 ?        ?        59.16871 16.67572 0.000000       16.67572 
1 1 1 16  7   4  o 178.0416 9.483779 765.5521       80.43434 0.000000       0.000000 765.5521       80.43434 ?        ?        178.0416 9.483779 0.000000       9.483779 
1 1 1 16  7   5  o 278.9220 8.265870 1871.944       110.1033 0.000000       0.000000 1871.944       110.1033 ?        ?        278.9220 8.265870 0.000000       8.265870 
1 1 1 16  7   6  o 284.4354 8.307158 1946.776       112.8441 0.000000       0.000000 1946.776       112.8441 ?        ?        284.4354 8.307158 0.000000       8.307158 
1 1 1 16  7   7  o 280.6840 8.359351 1896.023       112.0507 0.000000       0.000000 1896.023       112.0507 ?        ?        280.6840 8.359351 0.000000       8.359351 
1 1 1 16  7   8  o 240.8767 8.890270 1398.156       102.2050 0.000000       0.000000 1398.156       102.2050 ?        ?        240.8767 8.890270 0.000000       8.890270 
1 1 1 16  7   9  o 127.5891 10.80876 395.7651       65.31242 0.000000       0.000000 395.7651       65.31242 ?        ?        127.5891 10.80876 0.000000       10.80876 
1 1 1 16  7   10 o 160.0158 9.367051 618.8055       71.34619 0.000000       0.000000 618.8055       71.34619 ?        ?        160.0158 9.367051 0.000000       9.367051 
1 1 1 16  7   11 o 196.9457 9.448285 936.6353       88.70322 0.000000       0.000000 936.6353       88.70322 ?        ?        196.9457 9.448285 0.000000       9.448285 
1 1 1 16  7   12 o 217.9822 9.378173 1147.058       97.50583 0.000000       0.000000 1147.058       97.50583 ?        ?        217.9822 9.378173 0.000000       9.378173 
1 1 1 16  7   13 o 131.6029 11.64136 422.4298       72.49033 0.000000       0.000000 422.4298       72.49033 ?        ?        131.6029 11.64136 0.000000       11.64136 
1 1 1 16  7   14 o 209.7912 8.642903 1061.490       86.50164 1027.137       166.7389 1074.141       101.1828 203.6815 17.28601 210.7072 10.07346 -7.025681      20.00702 
1 1 1 16  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  7   16 o 340.6835 16.55461 2859.675       268.8292 2959.409       332.1558 2670.288       457.7131 344.0457 20.28377 318.1840 30.46040 25.86169       36.59600 
1 1 1 16  7   17 o 147.6947 19.16693 549.8560       132.1509 598.2595       167.3181 469.5908       215.4610 152.1620 23.77759 129.8217 34.23210 22.34036       41.67986 
1 1 1 16  7   18 o 206.9684 17.92729 1067.199       175.6416 1166.713       205.8350 800.6619       336.8658 215.3036 20.23393 164.3502 42.54422 50.95341       47.11075 
1 1 1 16  7   19 o 136.4822 23.40108 483.2162       147.2001 472.1480       213.7523 493.1997       203.0079 129.9952 34.00907 133.7743 32.14344 -3.779160      46.79549 
1 1 1 16  7   20 o 173.0960 19.71840 756.5015       160.2738 771.4426       170.7767 646.1176       464.1845 174.2507 20.91725 142.5087 52.17780 31.74202       56.21436 
1 1 1 16  7   21 o 116.0355 25.51696 358.6324       137.6966 401.5883       158.7643 228.2302       276.6200 121.9083 27.85169 99.89559 39.37069 22.01273       48.22621 
1 1 1 16  7   22 o 172.1537 29.04946 801.9244       230.5906 715.6538       268.7561 1042.623       448.9142 157.2837 36.45396 176.6075 50.58215 -19.32376      62.34938 
1 1 1 16  7   23 f 74.80021 32.73375 22.56392       222.7519 -51.58660      260.8917 222.0224       427.8873 74.58054 33.82341 106.1733 45.92548 -31.59272      57.03660 
1 1 1 16  7   24 o 88.68500 28.80632 213.5196       139.7881 299.7687       163.3579 -22.35831      270.1509 102.9309 30.80425 77.11742 34.74829 25.81348       46.43647 
1 1 1 16  7   25 o 65.34966 27.23076 54.58127       141.1169 139.1089       165.3355 -172.2207      270.8257 78.74782 30.61255 68.24496 32.14177 10.50285       44.38718 
1 1 1 16  7   26 o 159.3013 22.06567 668.6761       163.5453 720.5762       204.2334 575.9095       273.0476 161.6319 27.40780 134.0949 39.75146 27.53705       48.28422 
1 1 1 16  7   27 o 169.7168 20.05977 751.9063       159.6221 713.1560       193.8814 833.4309       281.2181 160.7774 26.11894 163.7538 36.81746 -2.976425      45.14116 
1 1 1 16  7   28 o 173.9656 20.91433 806.0399       170.4621 901.7218       209.9057 620.7269       292.1207 180.3396 25.01881 131.7997 41.52226 48.53992       48.47720 
1 1 1 16  7   29 o 44.72613 21.69999 -189.6917      144.9376 -166.7869      172.6952 -244.2653      266.5678 51.13734 24.52637 61.14282 29.60896 -10.00548      38.44780 
1 1 1 16  7   30 o 55.56822 26.97927 -233.7106      225.0789 -457.1046      316.8270 -6.085631      319.8132 59.17338 29.36126 75.72031 35.42823 -16.54693      46.01351 
1 1 1 16  7   31 f 122.1709 31.24550 489.3147       183.2036 585.3146       214.4369 229.8782       352.5166 130.5490 34.01911 86.80740 39.34789 43.74162       52.01496 
1 1 1 16  7   32 o 66.50430 30.22653 50.39167       209.7527 -32.86139      268.6705 180.3357       335.6588 66.48229 31.52097 80.20023 37.10455 -13.71793      48.68592 
1 1 1 16  8   0  o 226.7421 10.71252 1243.699       115.7983 0.000000       0.000000 1243.699       115.7983 ?        ?        226.7421 10.71252 0.000000       10.71252 
1 1 1 16  8   1  o 179.9103 10.95430 784.2800       93.77470 0.000000       0.000000 784.2800       93.77470 ?        ?        179.9103 10.95430 0.000000       10.95430 
1 1 1 16  8   2  o 37.26896 15.29930 11.83951       43.64451 0.000000       0.000000 11.83951       43.64451 ?        ?        37.26896 15.29930 0.000000       15.29930 
1 1 1 16  8   3  o 161.1807 12.07629 631.8451       92.38171 0.000000       0.000000 631.8451       92.38171 ?        ?        161.1807 12.07629 0.000000       12.07629 
1 1 1 16  8   4  o 155.9224 10.51067 589.0101       77.89372 0.000000       0.000000 589.0101       77.89372 ?        ?        155.9224 10.51067 0.000000       10.51067 
1 1 1 16  8   5  o 106.3974 13.26628 278.5538       66.02010 0.000000       0.000000 278.5538       66.02010 ?        ?        106.3974 13.26628 0.000000       13.26628 
1 1 1 16  8   6  o 416.3900 8.070379 4166.792       160.6581 0.000000       0.000000 4166.792       160.6581 ?        ?        416.3900 8.070379 0.000000       8.070379 
1 1 1 16  8   7  o 241.8497 9.103918 1409.745       105.0767 0.000000       0.000000 1409.745       105.0767 ?        ?        241.8497 9.103918 0.000000       9.103918 
1 1 1 16  8   8  o 233.4959 9.181311 1314.434       102.2928 0.000000       0.000000 1314.434       102.2928 ?        ?        233.4959 9.181311 0.000000       9.181311 
1 1 1 16  8   9  o 514.4443 8.366710 6363.776       205.7792 0.000000       0.000000 6363.776       205.7792 ?        ?        514.4443 8.366710 0.000000       8.366710 
1 1 1 16  8   10 o 752.2789 11.06246 13669.67       397.8680 0.000000       0.000000 13669.67       397.8680 ?        ?        752.2789 11.06246 0.000000       11.06246 
1 1 1 16  8   11 o 108.0778 14.48571 289.0657       72.96579 0.000000       0.000000 289.0657       72.96579 ?        ?        108.0778 14.48571 0.000000       14.48571 
1 1 1 16  8   12 o 182.9404 11.83740 813.2971       102.9762 0.000000       0.000000 813.2971       102.9762 ?        ?        182.9404 11.83740 0.000000       11.83740 
1 1 1 16  8   13 o 304.2855 21.81584 2320.860       315.2608 0.000000       0.000000 2320.860       315.2608 ?        ?        304.2855 21.81584 0.000000       21.81584 
1 1 1 16  8   14 o 315.1436 8.081484 2390.412       121.6605 2466.950       218.5491 2356.044       146.4498 317.8027 14.42169 312.3607 9.818924 5.442047       17.44696 
1 1 1 16  8   15 o 208.9776 16.10434 1076.506       159.6578 1095.723       182.8979 1014.976       327.2766 209.8843 18.41358 191.2259 37.13710 18.65836       41.45147 
1 1 1 16  8   16 o 134.1365 17.49690 450.2674       109.5342 434.3808       116.2640 575.6988       326.6878 131.1616 19.10163 139.8404 43.89030 -8.678818      47.86680 
1 1 1 16  8   17 o 29.98467 14.82254 -171.5196      77.99773 -121.5200      82.13647 -630.4838      248.8526 34.55807 16.66134 49.74168 24.89098 -15.18361      29.95265 
1 1 1 16  8   18 o 211.0265 16.04869 1100.069       160.7000 1385.546       188.9247 352.9809       305.6255 236.6002 16.81138 114.8510 42.29049 121.7492       45.50943 
1 1 1 16  8   19 o 300.4835 16.64916 2230.721       238.2430 2256.950       285.5569 2170.650       432.1511 300.1050 20.01710 284.0866 32.39659 16.01834       38.08179 
1 1 1 16  8   20 o 136.8697 25.28689 492.2218       159.3730 490.0368       229.5224 494.2562       221.4684 131.5990 35.61856 132.6494 34.57530 -1.050385      49.64003 
1 1 1 16  8   21 o 97.73184 34.26645 249.0506       197.8702 384.9346       241.1637 -30.85318      346.1244 116.5059 37.83579 87.50724 39.38945 28.99869       54.61754 
1 1 1 16  8   22 o 95.04749 30.66401 243.0775       158.5609 169.4513       187.4903 427.9807       297.1220 86.24452 32.83748 120.6503 42.01140 -34.40581      53.32221 
1 1 1 16  8   23 o 123.6604 26.52373 414.6514       152.1076 385.1930       174.9633 505.8260       307.8075 116.9810 30.84841 127.4693 42.80264 -10.48830      52.76068 
1 1 1 16  8   24 o 188.3820 29.21966 973.5423       254.6428 1092.576       292.5297 601.2207       517.3618 197.2160 32.13069 131.3342 53.13717 65.88177       62.09621 
1 1 1 16  8   25 o 177.3592 25.51884 844.7014       210.1623 717.6979       291.7141 981.7564       303.0381 151.5203 39.77343 182.1392 36.07686 -30.61882      53.69791 
1 1 1 16  8   26 o 212.4024 22.69139 1186.178       226.8594 1545.547       313.6028 791.6727       328.5759 237.1309 28.21461 155.0157 42.88700 82.11522       51.33575 
1 1 1 16  8   27 o 122.7016 35.33078 464.6683       218.4593 491.3638       313.4937 439.4668       304.5947 120.2521 43.03751 115.1517 42.24977 5.100365       60.30979 
1 1 1 16  8   28 o 79.47334 33.22411 130.2421       211.0840 302.6321       296.8202 -46.14895      300.2450 99.14546 40.19943 75.53923 34.99858 23.60623       53.30005 
1 1 1 16  8   29 o 133.5453 26.06962 512.1492       160.4699 412.1399       191.8930 744.7375       292.6394 113.1224 33.27015 144.0097 40.70611 -30.88729      52.57272 
1 1 1 16  8   30 o 79.19376 30.12188 179.1581       157.6610 101.0904       188.0909 363.5986       289.1080 72.29586 30.84535 99.56930 39.91916 -27.27344      50.44774 
1 1 1 16  8   31 o 84.50330 34.31539 225.3298       216.6734 -27.23519      323.3654 431.1212       291.8910 73.59347 34.80011 102.8435 40.47028 -29.25005      53.37500 
1 1 1 16  8   32 o 70.67281 29.53323 130.9929       166.6908 134.2110       200.2830 123.7391       300.6899 72.80097 31.45515 76.76288 35.37298 -3.961906      47.33576 
1 1 1 16  8   33 o 77.88588 31.50565 209.3842       181.8328 452.7000       213.4638 -434.0119      347.1189 105.3594 35.64511 58.59075 29.33062 46.76860       46.16123 
1 1 1 16  9   0  o 53.84110 18.61176 65.27313       58.26518 0.000000       0.000000 65.27313       58.26518 ?        ?        53.84110 18.61176 0.000000       18.61176 
1 1 1 16  9   1  f 116.8044 16.86383 340.1552       91.44891 0.000000       0.000000 340.1552       91.44891 ?        ?        116.8044 16.86383 0.000000       16.86383 
1 1 1 16  9   2  o 179.4125 11.07004 780.0161       94.49087 0.000000       0.000000 780.0161       94.49087 ?        ?        179.4125 11.07004 0.000000       11.07004 
1 1 1 16  9   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  9   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  9   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  9   9  o 109.6108 39.15705 301.8518       259.3872 0.000000       0.000000 301.8518       259.3872 ?        ?        109.6108 39.15705 0.000000       39.15705 
1 1 1 16  9   10 o 114.7637 13.52250 323.8949       72.77153 0.000000       0.000000 323.8949       72.77153 ?        ?        114.7637 13.52250 0.000000       13.52250 
1 1 1 16  9   11 o 227.0168 10.00009 1244.910       108.2688 0.000000       0.000000 1244.910       108.2688 ?        ?        227.0168 10.00009 0.000000       10.00009 
1 1 1 16  9   12 o 270.3111 9.817998 1763.860       126.6698 0.000000       0.000000 1763.860       126.6698 ?        ?        270.3111 9.817998 0.000000       9.817998 
1 1 1 16  9   13 o 43.11364 15.36193 39.33810       39.89723 0.000000       0.000000 39.33810       39.89723 ?        ?        43.11364 15.36193 0.000000       15.36193 
1 1 1 16  9   14 o 177.3247 10.24321 761.5547       86.46922 829.7544       180.1967 741.1528       98.55783 181.4386 21.17085 174.5330 11.88236 6.905518       24.27747 
1 1 1 16  9   15 o 199.7115 13.98245 976.1290       132.6607 850.7050       165.4599 1201.870       221.9767 184.5321 19.02728 218.4077 21.53844 -33.87555      28.73920 
1 1 1 16  9   16 f 211.9769 14.23732 1100.834       143.4496 1245.541       177.4209 827.6558       243.7716 224.5641 16.64388 176.3904 29.97854 48.17368       34.28894 
1 1 1 16  9   17 o 364.0037 14.80466 3245.010       257.1021 3033.823       348.7838 3496.316       380.4740 347.6943 21.08122 373.0477 21.42311 -25.35333      30.05607 
1 1 1 16  9   18 o 165.3077 17.24889 680.7099       134.3175 711.0762       145.7140 509.0455       346.4540 168.5404 18.38132 131.6333 45.38966 36.90718       48.97034 
1 1 1 16  9   19 o 195.5880 18.26439 955.2125       168.8126 1063.510       203.4245 715.6694       302.5421 205.0749 21.04663 156.8257 40.17580 48.24918       45.35477 
1 1 1 16  9   20 o 66.25328 26.11020 75.00771       121.6569 21.60303       135.0563 304.7904       280.1457 61.81989 26.24808 108.5344 40.39283 -46.71456      48.17201 
1 1 1 16  9   21 o 122.9155 24.56879 397.9557       139.3260 514.5906       157.6573 -17.92383      297.7032 140.2706 24.39452 82.87210 36.97382 57.39845       44.29623 
1 1 1 16  9   22 o 129.7352 22.62159 438.4069       135.2114 377.3030       163.7587 569.2953       239.6739 117.2543 29.29786 140.8689 35.58266 -23.61465      46.09220 
1 1 1 16  9   23 o 77.65211 30.93879 115.7577       172.5699 81.15089       274.2832 138.4328       222.0205 85.63786 36.90474 85.33168 34.70497 0.3061752      50.65960 
1 1 1 16  9   24 o 78.11053 30.14270 133.9889       159.4183 216.1993       169.3503 -505.8556      472.4543 90.20743 31.69527 79.28357 38.62785 10.92386       49.96700 
1 1 1 16  9   25 o 63.39300 27.52601 14.22682       154.9115 57.04347       175.7725 -134.7200      327.8388 70.85468 30.00827 77.20920 36.04121 -6.354515      46.89846 
1 1 1 16  9   26 o 93.76219 30.75798 247.4481       159.1794 270.1578       181.8231 172.9268       329.3695 97.26623 32.89750 94.59281 40.59807 2.673416       52.25370 
1 1 1 16  9   27 o 90.51827 31.21489 230.4769       163.8545 262.9356       186.4765 120.5162       343.2237 95.46977 33.27974 90.83039 40.15683 4.639381       52.15469 
1 1 1 16  9   28 o 180.2427 22.45960 872.6901       189.3515 967.7929       229.5435 670.1616       334.9741 186.0586 26.55797 134.3371 44.64259 51.72145       51.94504 
1 1 1 16  9   29 o 74.48055 34.25979 -3.558873      280.2902 31.13789       329.9007 -93.60503      531.4609 80.33150 37.02963 87.14086 42.10384 -6.809357      56.07074 
1 1 1 16  9   30 o 103.0729 39.91518 395.8607       280.2655 317.3144       323.6763 631.1883       560.2533 95.74818 40.64335 110.2026 49.81263 -14.45441      64.28981 
1 1 1 16  9   31 o 103.2642 32.38871 357.7463       177.9327 443.4802       188.9151 -315.9815      529.5810 115.0335 32.77014 77.14001 38.22082 37.89345       50.34594 
1 1 1 16  9   32 o 71.44366 30.46419 127.4934       183.2836 188.8590       196.3517 -288.0263      510.9380 78.04063 32.28503 73.44568 36.58245 4.594955       48.79138 
1 1 1 16  9   33 o 60.87158 29.72097 -172.6827      283.9808 -263.9731      334.3352 63.77589       538.0800 61.96434 30.64168 78.48023 38.82047 -16.51589      49.45646 
1 1 1 16  10  0  o 224.9542 11.54076 1226.465       123.7037 0.000000       0.000000 1226.465       123.7037 ?        ?        224.9542 11.54076 0.000000       11.54076 
1 1 1 16  10  1  o 106.9133 18.40270 288.2434       90.67091 0.000000       0.000000 288.2434       90.67091 ?        ?        106.9133 18.40270 0.000000       18.40270 
1 1 1 16  10  2  o 297.9648 9.990981 2142.099       142.1238 0.000000       0.000000 2142.099       142.1238 ?        ?        297.9648 9.990981 0.000000       9.990981 
1 1 1 16  10  3  o 231.0287 12.19349 1294.737       134.2029 0.000000       0.000000 1294.737       134.2029 ?        ?        231.0287 12.19349 0.000000       12.19349 
1 1 1 16  10  4  o 297.9492 9.706774 2140.469       138.0847 0.000000       0.000000 2140.469       138.0847 ?        ?        297.9492 9.706774 0.000000       9.706774 
1 1 1 16  10  5  f 249.7005 12.22947 1511.957       145.5500 0.000000       0.000000 1511.957       145.5500 ?        ?        249.7005 12.22947 0.000000       12.22947 
1 1 1 16  10  6  o 156.2452 12.54479 594.6661       92.92152 0.000000       0.000000 594.6661       92.92152 ?        ?        156.2452 12.54479 0.000000       12.54479 
1 1 1 16  10  7  o 177.0168 11.34512 759.9174       95.50797 0.000000       0.000000 759.9174       95.50797 ?        ?        177.0168 11.34512 0.000000       11.34512 
1 1 1 16  10  8  o 274.5583 9.659674 1818.013       126.5984 0.000000       0.000000 1818.013       126.5984 ?        ?        274.5583 9.659674 0.000000       9.659674 
1 1 1 16  10  9  o 32.66564 13.82408 2.163563       37.25606 0.000000       0.000000 2.163563       37.25606 ?        ?        32.66564 13.82408 0.000000       13.82408 
1 1 1 16  10  10 o 221.1913 10.10050 1182.021       106.5299 0.000000       0.000000 1182.021       106.5299 ?        ?        221.1913 10.10050 0.000000       10.10050 
1 1 1 16  10  11 o 280.7298 9.783438 1901.774       131.1065 0.000000       0.000000 1901.774       131.1065 ?        ?        280.7298 9.783438 0.000000       9.783438 
1 1 1 16  10  12 o 193.3308 13.10950 911.1417       120.4535 0.000000       0.000000 911.1417       120.4535 ?        ?        193.3308 13.10950 0.000000       13.10950 
1 1 1 16  10  13 o 278.6340 9.765399 1874.336       129.8855 0.000000       0.000000 1874.336       129.8855 ?        ?        278.6340 9.765399 0.000000       9.765399 
1 1 1 16  10  14 o 248.6672 8.921956 1491.152       105.8967 1580.260       206.9475 1459.543       123.2562 253.0542 17.20797 245.5954 10.52175 7.458786       20.16981 
1 1 1 16  10  15 o 348.3644 8.945681 2925.668       148.8662 2741.256       337.3944 2970.248       165.8865 330.6398 21.45987 350.6770 9.904460 -20.03720      23.63523 
1 1 1 16  10  16 o 191.1602 14.31786 896.2998       129.9024 991.8699       159.8552 710.4838       222.8987 200.1908 16.85874 163.3701 29.62899 36.82072       34.08950 
1 1 1 16  10  17 o 213.8939 15.06457 1124.738       153.0653 953.9047       171.3734 1798.566       340.3547 195.4848 18.55906 263.0121 27.47212 -67.52727      33.15353 
1 1 1 16  10  18 o 211.0024 17.38366 1105.487       173.8085 1129.833       199.2138 1027.877       355.6816 212.1360 19.87388 188.8535 40.60192 23.28241       45.20494 
1 1 1 16  10  19 o 111.3925 20.94008 319.5615       107.4246 311.3456       123.7428 344.6958       216.4335 108.7215 24.40642 111.8093 35.80223 -3.087799      43.32981 
1 1 1 16  10  20 o 246.1158 15.06984 1489.974       176.4694 1563.752       220.7765 1359.439       293.6675 250.3524 18.57800 227.7596 27.52715 22.59290       33.20972 
1 1 1 16  10  21 o 233.4838 21.32609 1382.340       235.4290 1364.232       264.6674 1450.981       515.2967 229.9131 24.45313 212.5668 51.29722 17.34636       56.82746 
1 1 1 16  10  22 o 146.7732 22.50856 558.2017       152.9126 610.0402       174.5401 387.0495       317.1469 152.3575 24.81527 116.6439 43.05758 35.71360       49.69661 
1 1 1 16  10  23 o 73.28941 28.21809 112.3128       139.4840 -17.69125      155.7293 639.7140       313.6623 61.04272 27.01542 142.7787 42.67410 -81.73598      50.50655 
1 1 1 16  10  24 o 160.9435 21.51602 672.1359       161.4119 956.5121       202.8091 180.7437       266.5968 191.6698 22.56406 92.48044 37.87121 99.18933       44.08362 
1 1 1 16  10  25 o 126.3694 32.53023 464.0445       197.6937 833.3673       306.0036 199.4661       259.0005 164.2372 39.46429 92.85641 37.58687 71.38081       54.49957 
1 1 1 16  10  26 o 254.5147 19.31563 1657.597       233.2788 1879.854       338.7462 1457.117       321.7237 262.7788 27.36384 228.1913 30.23322 34.58749       40.77779 
1 1 1 16  10  27 o 129.7524 40.87845 557.6292       283.1302 566.8710       321.1920 525.4207       599.6140 128.1318 43.71891 120.2407 53.12196 7.891113       68.79888 
1 1 1 16  10  28 o 92.67860 31.72348 254.4689       169.1450 234.5453       193.6513 318.5818       347.3834 90.14559 33.57660 101.6021 42.55858 -11.45654      54.20905 
1 1 1 16  10  29 o 106.6091 32.43904 360.7014       180.0838 350.1778       205.8969 394.9555       371.4682 103.1897 35.00686 103.8077 43.77711 -0.6179733     56.05280 
1 1 1 16  10  30 o 71.88997 30.10600 108.7729       173.7758 -13.95180      204.4243 428.5007       329.9565 64.81989 29.60690 104.2861 42.34718 -39.46619      51.67061 
1 1 1 16  10  31 o 81.21678 34.82061 178.6364       241.8222 16.75417       351.7426 323.7288       333.0028 77.55738 36.55916 93.63555 40.50850 -16.07817      54.56657 
1 1 1 16  10  32 f 41.65762 20.25326 -162.0423      128.0129 -57.32360      142.3090 -606.0922      293.0463 50.98448 23.78171 51.14290 25.78137 -0.1584206     35.07489 
1 1 1 16  10  33 o 58.70400 26.46500 27.18006       156.9362 -146.5482      184.9326 474.2299       296.6581 51.33608 24.81201 97.79359 39.98681 -46.45750      47.05933 
1 1 1 16  11  0  o 235.5713 10.74467 1342.448       120.6921 0.000000       0.000000 1342.448       120.6921 ?        ?        235.5713 10.74467 0.000000       10.74467 
1 1 1 16  11  1  o 221.3137 10.69699 1184.874       112.8471 0.000000       0.000000 1184.874       112.8471 ?        ?        221.3137 10.69699 0.000000       10.69699 
1 1 1 16  11  2  o 493.9182 18.98673 6015.698       447.5114 0.000000       0.000000 6015.698       447.5114 ?        ?        493.9182 18.98673 0.000000       18.98673 
1 1 1 16  11  3  o 277.6476 11.96375 1868.007       158.4344 0.000000       0.000000 1868.007       158.4344 ?        ?        277.6476 11.96375 0.000000       11.96375 
1 1 1 16  11  4  o 271.0853 9.697265 1772.495       125.4768 0.000000       0.000000 1772.495       125.4768 ?        ?        271.0853 9.697265 0.000000       9.697265 
1 1 1 16  11  5  o 265.3235 9.801655 1698.317       124.1185 0.000000       0.000000 1698.317       124.1185 ?        ?        265.3235 9.801655 0.000000       9.801655 
1 1 1 16  11  6  o 253.5503 12.50765 1560.132       151.1491 0.000000       0.000000 1560.132       151.1491 ?        ?        253.5503 12.50765 0.000000       12.50765 
1 1 1 16  11  7  o 45.52856 18.63959 19.78437       64.56171 0.000000       0.000000 19.78437       64.56171 ?        ?        45.52856 18.63959 0.000000       18.63959 
1 1 1 16  11  8  o 111.4926 14.88753 307.6556       77.37399 0.000000       0.000000 307.6556       77.37399 ?        ?        111.4926 14.88753 0.000000       14.88753 
1 1 1 16  11  9  o 66.28773 16.35388 111.5770       51.50309 0.000000       0.000000 111.5770       51.50309 ?        ?        66.28773 16.35388 0.000000       16.35388 
1 1 1 16  11  10 o 134.1158 12.68061 439.6468       80.34161 0.000000       0.000000 439.6468       80.34161 ?        ?        134.1158 12.68061 0.000000       12.68061 
1 1 1 16  11  11 o 67.75340 19.68403 116.0172       67.53092 0.000000       0.000000 116.0172       67.53092 ?        ?        67.75340 19.68403 0.000000       19.68403 
1 1 1 16  11  12 o 169.8785 11.91205 701.9843       96.13286 0.000000       0.000000 701.9843       96.13286 ?        ?        169.8785 11.91205 0.000000       11.91205 
1 1 1 16  11  13 o 83.67605 19.06531 179.4996       74.56311 0.000000       0.000000 179.4996       74.56311 ?        ?        83.67605 19.06531 0.000000       19.06531 
1 1 1 16  11  14 o 218.5513 11.26573 1158.647       117.3148 0.000000       0.000000 1158.647       117.3148 ?        ?        218.5513 11.26573 0.000000       11.26573 
1 1 1 16  11  15 o 192.6651 10.18085 898.8611       93.44392 821.5507       167.0222 934.0852       112.7391 181.0342 19.61047 195.9033 12.09617 -14.86914      23.04100 
1 1 1 16  11  16 o 113.7775 21.59817 333.4418       113.1890 335.2166       128.6726 327.3701       237.9962 113.0749 24.51034 110.3918 37.63396 2.683159       44.91182 
1 1 1 16  11  17 f 155.6434 20.62715 613.8690       149.7143 870.1459       182.4504 85.59922       261.9497 185.5588 20.93106 86.90222 36.71066 98.65656       42.25851 
1 1 1 16  11  18 o 114.1439 25.82765 345.1915       137.6410 357.4908       180.8209 328.2467       212.2400 114.2461 31.89327 109.6368 35.48581 4.609337       47.71188 
1 1 1 16  11  19 o 97.65366 24.36241 251.6095       113.3612 284.3819       119.5414 -40.98346      357.1872 103.8231 24.48388 88.83842 39.99912 14.98463       46.89765 
1 1 1 16  11  20 o 68.73567 28.05787 64.42000       145.7572 -27.13183      190.8845 192.4521       225.7339 67.25292 29.82920 92.96309 35.86993 -25.71017      46.65226 
1 1 1 16  11  21 o 169.9293 17.39935 721.8655       139.3609 833.0106       166.0141 456.6560       256.4450 181.7263 19.40825 125.4474 38.81139 56.27892       43.39359 
1 1 1 16  11  22 o 114.6320 25.87735 352.9854       138.4465 226.5553       165.7027 645.3092       251.9628 92.57177 31.40458 149.8096 35.69022 -57.23786      47.53988 
1 1 1 16  11  23 o 95.65543 34.82318 241.8149       206.3202 437.7606       265.7843 -55.30127      327.2839 120.5021 39.75539 82.32906 37.54976 38.17308       54.68524 
1 1 1 16  11  24 o 189.0539 20.18490 916.6859       179.6212 880.2349       208.4963 1021.625       353.7632 182.3731 24.53452 181.3364 41.67980 1.036697       48.36474 
1 1 1 16  11  25 f 222.2911 20.65990 1274.196       217.0497 281.8730       236.0375 6708.134       552.3467 100.1771 37.11561 507.6143 22.81820 -407.4372      43.56878 
1 1 1 16  11  26 o 240.7883 17.99407 1472.245       205.6465 1561.337       264.7103 1336.620       326.6013 243.6026 23.00135 215.8051 32.67687 27.79753       39.96048 
1 1 1 16  11  27 o 120.7923 28.67245 417.6767       163.0879 316.6192       203.8692 597.2891       271.7913 102.4949 34.83328 135.3056 39.54088 -32.81073      52.69572 
1 1 1 16  11  28 o 99.94854 34.21566 311.1914       196.7659 261.2003       210.9913 644.8672       545.1058 93.40011 34.99550 120.1112 51.89482 -26.71104      62.59199 
1 1 1 16  11  29 o 76.80016 35.21835 23.24798       293.0859 -15.04816      333.0772 154.6165       616.8976 77.95092 36.36778 96.52936 46.31248 -18.57844      58.88515 
1 1 1 16  11  30 o 67.97289 31.56550 -36.96013      246.3722 -117.8065      333.8649 59.70442       365.0682 72.19057 34.48278 81.91092 38.16829 -9.720345      51.43813 
1 1 1 16  11  31 o 65.23844 26.78649 92.45899       133.8231 61.43186       142.1886 333.1093       395.9925 62.55103 26.75664 93.66476 42.14886 -31.11373      49.92439 
1 1 1 16  11  32 o 85.68573 28.66768 241.4354       138.0906 220.0546       156.2076 317.9032       295.4133 81.46849 30.19197 88.82373 38.28896 -7.355240      48.76063 
1 1 1 16  11  33 o 92.38951 33.93516 337.3451       196.5903 69.22797       260.5885 691.5015       299.4956 69.60140 32.36996 117.9088 42.08075 -48.30738      53.09052 
1 1 1 16  12  0  o 108.1638 16.49370 292.3653       82.59755 0.000000       0.000000 292.3653       82.59755 ?        ?        108.1638 16.49370 0.000000       16.49370 
1 1 1 16  12  1  o 212.8854 11.39114 1098.609       115.5147 0.000000       0.000000 1098.609       115.5147 ?        ?        212.8854 11.39114 0.000000       11.39114 
1 1 1 16  12  2  o 50.09749 20.95867 15.41101       84.09114 0.000000       0.000000 15.41101       84.09114 ?        ?        50.09749 20.95867 0.000000       20.95867 
1 1 1 16  12  3  o 216.9239 12.07384 1142.176       124.7223 0.000000       0.000000 1142.176       124.7223 ?        ?        216.9239 12.07384 0.000000       12.07384 
1 1 1 16  12  4  o 148.6726 12.04760 538.2310       84.89969 0.000000       0.000000 538.2310       84.89969 ?        ?        148.6726 12.04760 0.000000       12.04760 
1 1 1 16  12  5  o 83.69976 14.81269 175.3563       57.10574 0.000000       0.000000 175.3563       57.10574 ?        ?        83.69976 14.81269 0.000000       14.81269 
1 1 1 16  12  6  o 257.4121 9.916547 1599.428       121.8105 0.000000       0.000000 1599.428       121.8105 ?        ?        257.4121 9.916547 0.000000       9.916547 
1 1 1 16  12  7  o 279.9123 9.728236 1890.256       129.9882 0.000000       0.000000 1890.256       129.9882 ?        ?        279.9123 9.728236 0.000000       9.728236 
1 1 1 16  12  8  o 103.1223 14.88278 264.0293       71.25385 0.000000       0.000000 264.0293       71.25385 ?        ?        103.1223 14.88278 0.000000       14.88278 
1 1 1 16  12  9  o 354.6445 9.730367 3033.554       164.8239 0.000000       0.000000 3033.554       164.8239 ?        ?        354.6445 9.730367 0.000000       9.730367 
1 1 1 16  12  10 o 154.0309 12.87335 579.2905       93.93366 0.000000       0.000000 579.2905       93.93366 ?        ?        154.0309 12.87335 0.000000       12.87335 
1 1 1 16  12  11 f 82.51467 15.81347 171.6751       60.11315 0.000000       0.000000 171.6751       60.11315 ?        ?        82.51467 15.81347 0.000000       15.81347 
1 1 1 16  12  12 o 75.95948 16.03938 146.2563       56.41722 0.000000       0.000000 146.2563       56.41722 ?        ?        75.95948 16.03938 0.000000       16.03938 
1 1 1 16  12  13 o 309.5631 13.53726 2334.976       199.8651 0.000000       0.000000 2334.976       199.8651 ?        ?        309.5631 13.53726 0.000000       13.53726 
1 1 1 16  12  14 o 155.8900 12.37984 593.1430       91.50877 0.000000       0.000000 593.1430       91.50877 ?        ?        155.8900 12.37984 0.000000       12.37984 
1 1 1 16  12  15 o 59.77704 19.56848 86.13255       64.44418 -65.67681      111.8050 161.6625       78.86270 47.74252 21.84037 79.10989 20.63819 -31.36736      30.04890 
1 1 1 16  12  16 o 116.7933 13.43928 336.2527       73.67541 386.2288       132.5889 313.9288       88.61561 121.8741 23.60845 111.7506 17.13187 10.12357       29.16951 
1 1 1 16  12  17 o 120.6266 27.26033 387.7410       153.4977 295.2738       193.7765 543.4960       251.4943 104.8087 33.90588 138.4442 37.20407 -33.63554      50.33638 
1 1 1 16  12  18 o 127.1008 21.18960 413.8792       124.2289 404.3200       129.7652 518.7929       429.8944 125.0755 22.52938 133.2327 49.94611 -8.157188      54.79222 
1 1 1 16  12  19 o 205.3064 16.76213 1045.008       163.0973 972.0110       210.3307 1155.098       258.2983 194.9281 23.01251 210.7469 26.20019 -15.81885      34.87156 
1 1 1 16  12  20 o 92.66420 24.55018 227.2909       110.4836 219.4946       126.9538 251.6262       224.2946 91.00031 27.13739 99.56817 36.29920 -8.567863      45.32185 
1 1 1 16  12  21 o 84.06174 32.27310 154.3118       182.0894 189.2302       204.5995 21.30111       399.3193 90.26581 34.31859 95.10105 42.59750 -4.835243      54.70203 
1 1 1 16  12  22 o 59.32737 24.57351 38.81462       113.9458 129.2548       129.0325 -281.5146      242.8381 74.77892 27.48838 60.04549 28.87280 14.73343       39.86540 
1 1 1 16  12  23 o 61.29005 26.66133 5.222243       145.8821 55.89845       155.2390 -377.5438      426.6439 68.24036 28.50755 79.03159 38.07041 -10.79122      47.56087 
1 1 1 16  12  24 o 299.9910 17.70693 2265.508       252.8273 2372.933       311.4841 2058.057       432.8539 303.3518 21.61906 267.9774 34.59200 35.37439       40.79204 
1 1 1 16  12  25 o 183.3305 27.43131 918.1563       233.0519 973.8101       298.2504 830.8953       373.4600 181.5098 35.64204 155.3824 46.59339 26.12740       58.66258 
1 1 1 16  12  26 o 112.0665 37.59193 388.0422       237.4306 343.2027       309.2643 452.4089       370.5356 106.9369 41.78293 116.8755 45.71496 -9.938660      61.93279 
1 1 1 16  12  27 o 96.81119 35.49855 277.4249       214.9755 439.5656       329.0902 156.7332       283.9276 113.4318 43.42753 88.24545 37.78007 25.18635       57.56113 
1 1 1 16  12  28 o 93.17747 31.42842 262.2335       165.9448 319.3125       204.1941 151.2098       284.7821 100.2365 34.83195 85.71117 37.26812 14.52532       51.01154 
1 1 1 16  12  29 o 75.37832 31.40541 126.6599       187.6651 177.5881       204.4914 -145.1583      472.4274 81.67024 33.27281 81.53984 39.46985 0.1304016      51.62315 
1 1 1 16  12  30 o 85.86580 32.34841 229.3006       180.8096 227.2205       203.1832 237.2159       396.3510 85.81667 33.76669 91.12144 41.46789 -5.304764      53.47686 
1 1 1 16  12  31 o 110.4790 38.04864 475.4430       243.4244 186.0667       300.9535 1022.967       413.9705 82.73376 37.02500 140.5221 49.53982 -57.78838      61.84694 
1 1 1 16  12  32 o 55.94962 25.00000 17.32842       136.6480 -33.67485      145.1667 414.0355       404.8582 52.90711 24.45053 91.69012 41.79779 -38.78301      48.42400 
1 1 1 16  13  0  o 145.4296 10.38780 512.9760       71.74893 444.8172       97.82738 592.3185       105.5486 134.1325 15.54253 155.3555 14.37370 -21.22298      21.17011 
1 1 1 16  13  1  o 393.9398 9.091056 3736.961       171.2192 0.000000       0.000000 3736.961       171.2192 ?        ?        393.9398 9.091056 0.000000       9.091056 
1 1 1 16  13  2  o 147.8229 14.74859 537.3129       102.8422 0.000000       0.000000 537.3129       102.8422 ?        ?        147.8229 14.74859 0.000000       14.74859 
1 1 1 16  13  3  o 53.21935 20.52303 48.44107       73.86523 0.000000       0.000000 48.44107       73.86523 ?        ?        53.21935 20.52303 0.000000       20.52303 
1 1 1 16  13  4  o 182.9311 11.51037 812.3152       100.1562 0.000000       0.000000 812.3152       100.1562 ?        ?        182.9311 11.51037 0.000000       11.51037 
1 1 1 16  13  5  o 107.2882 15.50357 286.3343       77.21943 0.000000       0.000000 286.3343       77.21943 ?        ?        107.2882 15.50357 0.000000       15.50357 
1 1 1 16  13  6  o 151.2721 12.02499 557.3049       86.25129 0.000000       0.000000 557.3049       86.25129 ?        ?        151.2721 12.02499 0.000000       12.02499 
1 1 1 16  13  7  o 128.1102 13.55547 402.8987       81.76668 0.000000       0.000000 402.8987       81.76668 ?        ?        128.1102 13.55547 0.000000       13.55547 
1 1 1 16  13  8  o 267.0671 9.822248 1721.911       125.1985 0.000000       0.000000 1721.911       125.1985 ?        ?        267.0671 9.822248 0.000000       9.822248 
1 1 1 16  13  9  o 87.51062 18.46662 195.3159       74.82829 0.000000       0.000000 195.3159       74.82829 ?        ?        87.51062 18.46662 0.000000       18.46662 
1 1 1 16  13  10 o 114.9782 14.63819 327.0783       78.64391 0.000000       0.000000 327.0783       78.64391 ?        ?        114.9782 14.63819 0.000000       14.63819 
1 1 1 16  13  11 o 237.5623 10.35797 1365.117       117.3587 0.000000       0.000000 1365.117       117.3587 ?        ?        237.5623 10.35797 0.000000       10.35797 
1 1 1 16  13  12 o 280.0719 13.44900 1911.530       179.5547 0.000000       0.000000 1911.530       179.5547 ?        ?        280.0719 13.44900 0.000000       13.44900 
1 1 1 16  13  13 o 181.7979 13.91638 809.3792       120.0354 0.000000       0.000000 809.3792       120.0354 ?        ?        181.7979 13.91638 0.000000       13.91638 
1 1 1 16  13  14 f 117.9714 14.09031 343.7697       77.90099 0.000000       0.000000 343.7697       77.90099 ?        ?        117.9714 14.09031 0.000000       14.09031 
1 1 1 16  13  15 o 60.03097 21.92301 76.20213       81.86491 0.000000       0.000000 76.20213       81.86491 ?        ?        60.03097 21.92301 0.000000       21.92301 
1 1 1 16  13  16 o 188.3410 10.32786 859.8217       92.63992 1037.069       171.7926 787.1449       110.0050 204.2712 17.76752 179.4775 12.90635 24.79369       21.96039 
1 1 1 16  13  17 o 111.5431 14.01504 307.9936       73.09284 317.7622       215.6498 306.7257       77.69164 108.3831 35.81239 111.0322 15.02071 -2.649147      38.83490 
1 1 1 16  13  18 o 201.5793 17.09306 1008.605       163.1789 993.2966       175.2976 1107.982       446.6295 199.3605 18.60688 188.5266 49.08067 10.83389       52.48932 
1 1 1 16  13  19 o 65.40952 27.84673 24.78640       152.7131 87.16228       186.4818 -102.2141      266.0914 77.28873 31.66466 73.73618 33.71708 3.552551       46.25464 
1 1 1 16  13  20 o 109.2879 22.62328 312.7339       114.3084 241.9900       131.9360 525.6881       228.9085 94.97235 27.49035 136.0390 34.99653 -41.06662      44.50254 
1 1 1 16  13  21 o 142.8587 21.22330 526.1167       140.5553 520.7986       150.4199 562.7193       394.6254 141.2259 23.07438 132.9263 48.19400 8.299530       53.43303 
1 1 1 16  13  22 o 89.22366 31.12531 208.9137       163.1309 -55.05269      214.7227 569.2576       250.8778 67.95641 30.76563 138.4278 37.14032 -70.47135      48.22787 
1 1 1 16  13  23 o 73.34177 31.44952 48.26258       197.3261 119.4381       221.8508 -221.3242      431.7625 82.87365 34.30398 84.65073 40.08316 -1.777084      52.75816 
1 1 1 16  13  24 o 121.9180 26.66622 408.8043       151.0943 372.5639       180.5114 493.6183       276.1483 113.4961 31.93172 125.0855 40.47666 -11.58944      51.55575 
1 1 1 16  13  25 o 79.07445 29.17587 154.9061       145.5871 150.4874       170.8279 166.6328       278.2928 80.52345 31.16806 90.73730 38.05538 -10.21386      49.19004 
1 1 1 16  13  26 o 152.1152 25.48242 632.3745       178.7710 654.3827       202.0415 553.0035       383.6891 152.2375 28.81436 124.0263 47.03334 28.21120       55.15798 
1 1 1 16  13  27 o 127.3106 29.42659 475.0203       175.5194 411.9214       197.6053 710.9059       382.0659 114.9360 33.75046 134.1712 47.56569 -19.23516      58.32314 
1 1 1 16  13  28 o 87.36465 32.36526 226.2311       179.4757 213.4654       203.3637 271.1949       381.6638 86.37528 33.84304 96.36352 42.48549 -9.988235      54.31729 
1 1 1 16  13  29 o 88.93411 37.38786 235.5397       269.6085 231.3524       323.3929 245.0829       488.2119 90.12158 39.43986 94.83376 44.17282 -4.712181      59.21774 
1 1 1 16  13  30 o 68.99243 31.12413 35.80509       217.4774 0.1644848E-01  329.7557 63.35407       289.3160 75.98898 35.68809 76.51202 35.05073 -0.5230408     50.02193 
1 1 1 16  13  31 o 64.93941 28.38284 67.39214       167.0110 74.36316       203.0861 52.82872       293.5377 68.74303 30.61255 73.65660 34.28954 -4.913567      45.96629 
1 1 1 16  13  32 o 86.11018 33.20050 277.4830       193.2805 229.2804       216.7103 464.9412       427.3625 80.43808 33.64830 91.76726 42.24496 -11.32918      54.00783 
1 1 1 16  14  0  o 89.72026 12.55295 198.7431       52.37338 168.7311       72.11391 232.2422       76.18820 81.16869 18.93220 95.94621 17.24310 -14.77752      25.60767 
1 1 1 16  14  1  o 182.6998 13.34332 814.7738       115.7458 0.000000       0.000000 814.7738       115.7458 ?        ?        182.6998 13.34332 0.000000       13.34332 
1 1 1 16  14  2  o 152.4527 12.35848 566.7542       89.30418 0.000000       0.000000 566.7542       89.30418 ?        ?        152.4527 12.35848 0.000000       12.35848 
1 1 1 16  14  3  o 58.68612 21.36446 72.25215       77.65828 0.000000       0.000000 72.25215       77.65828 ?        ?        58.68612 21.36446 0.000000       21.36446 
1 1 1 16  14  4  o 249.7184 10.90483 1509.444       129.8762 0.000000       0.000000 1509.444       129.8762 ?        ?        249.7184 10.90483 0.000000       10.90483 
1 1 1 16  14  5  o 176.0230 12.86760 755.5593       107.5387 0.000000       0.000000 755.5593       107.5387 ?        ?        176.0230 12.86760 0.000000       12.86760 
1 1 1 16  14  6  o 162.9763 12.93456 648.4222       99.95631 0.000000       0.000000 648.4222       99.95631 ?        ?        162.9763 12.93456 0.000000       12.93456 
1 1 1 16  14  7  o 113.8280 12.73301 318.0352       68.10704 0.000000       0.000000 318.0352       68.10704 ?        ?        113.8280 12.73301 0.000000       12.73301 
1 1 1 16  14  8  o 207.9073 12.22727 1050.982       121.0002 0.000000       0.000000 1050.982       121.0002 ?        ?        207.9073 12.22727 0.000000       12.22727 
1 1 1 16  14  9  o 283.6192 13.15283 1957.896       177.8603 0.000000       0.000000 1957.896       177.8603 ?        ?        283.6192 13.15283 0.000000       13.15283 
1 1 1 16  14  10 o 214.3199 12.68008 1118.427       129.3444 0.000000       0.000000 1118.427       129.3444 ?        ?        214.3199 12.68008 0.000000       12.68008 
1 1 1 16  14  11 o 102.2539 18.32983 265.0715       86.31635 0.000000       0.000000 265.0715       86.31635 ?        ?        102.2539 18.32983 0.000000       18.32983 
1 1 1 16  14  12 o 100.1974 18.79301 255.5472       86.71841 0.000000       0.000000 255.5472       86.71841 ?        ?        100.1974 18.79301 0.000000       18.79301 
1 1 1 16  14  13 o 19.45860 9.659263 -82.96214      34.42987 0.000000       0.000000 -82.96214      34.42987 ?        ?        19.45860 9.659263 0.000000       9.659263 
1 1 1 16  14  14 o 167.8640 12.42687 687.6365       99.02319 0.000000       0.000000 687.6365       99.02319 ?        ?        167.8640 12.42687 0.000000       12.42687 
1 1 1 16  14  15 o 55.37553 20.76483 59.72148       74.31529 0.000000       0.000000 59.72148       74.31529 ?        ?        55.37553 20.76483 0.000000       20.76483 
1 1 1 16  14  16 o 184.8681 11.09249 830.3174       97.58819 1047.794       170.3148 724.0168       119.0732 205.4245 17.50841 171.5357 14.65987 33.88876       22.83542 
1 1 1 16  14  17 o 57.61320 20.52988 73.26382       71.25774 78.54259       127.0212 70.83960       86.07861 67.71147 26.68125 59.61900 22.34961 8.092472       34.80508 
1 1 1 16  14  18 f 293.7321 11.60746 2097.034       162.6826 2142.144       280.0232 2074.051       199.8727 292.0911 20.17642 290.8183 14.42049 1.272858       24.79997 
1 1 1 16  14  19 o 101.9425 25.25901 277.3151       122.4716 272.5517       126.8909 342.1494       468.1390 100.8297 26.11636 119.0881 49.60816 -18.25836      56.06277 
1 1 1 16  14  20 o 188.5302 20.01517 903.0884       177.6518 956.0773       216.6764 794.4139       310.3009 191.5234 24.20313 163.0131 40.09692 28.51033       46.83540 
1 1 1 16  14  21 o 70.33796 25.66783 113.8224       112.1905 104.5749       127.3308 145.9188       237.2195 70.68418 27.02512 87.48563 35.76287 -16.80145      44.82566 
1 1 1 16  14  22 o 199.0812 16.46670 992.1799       155.3270 809.4836       185.1484 1426.299       285.4036 176.3044 22.47622 231.4522 26.25560 -55.14783      34.56208 
1 1 1 16  14  23 o 104.3176 26.18872 299.2180       130.4006 433.9825       149.2694 -135.0363      267.9508 126.4604 25.56923 70.08328 32.67119 56.37714       41.48726 
1 1 1 16  14  24 o 140.0575 28.52358 546.8486       184.4975 109.5654       242.6409 1146.191       284.0666 83.21062 35.24992 202.5191 30.26612 -119.3085      46.46068 
1 1 1 16  14  25 o 170.6236 30.84227 830.9351       242.3323 1090.706       279.9951 55.47773       483.7646 195.8309 30.93204 96.90561 44.73092 98.92528       54.38424 
1 1 1 16  14  26 o 71.81396 31.48729 40.51027       206.9920 76.13284       296.8126 6.781984       288.8130 83.28118 37.05231 78.26715 35.53174 5.014030       51.33594 
1 1 1 16  14  27 o 59.55444 28.60837 -210.4412      237.0601 127.3888       299.4500 -777.6240      388.0045 84.88282 37.51893 60.65526 30.45513 24.22756       48.32375 
1 1 1 16  14  28 o 60.29492 26.61219 16.11174       150.1331 87.02057       162.2426 -406.4120      396.0411 68.97447 29.00041 68.88219 33.92768 0.9228516E-01  44.63307 
1 1 1 16  14  29 o 73.48843 28.16233 145.2211       138.4850 38.16190       170.4061 353.4524       237.6545 64.49938 28.41466 99.73581 37.18695 -35.23643      46.80024 
1 1 1 16  14  30 o 67.24379 28.96111 81.77536       168.7240 92.50795       201.2143 56.35535       309.6666 71.01632 31.09362 76.12962 35.36543 -5.113304      47.09063 
1 1 1 16  14  31 o 70.76122 31.94129 88.83932       229.4470 271.9748       342.2958 -60.59121      309.1969 85.41196 38.73838 68.40365 32.81031 17.00832       50.76591 
1 1 1 16  15  0  o 321.2492 7.648241 2480.221       117.4660 2486.202       168.1394 2474.519       164.1754 320.5444 10.98792 319.8720 10.75081 0.6724243      15.37251 
1 1 1 16  15  1  o 170.7271 13.30021 712.0177       107.7040 0.000000       0.000000 712.0177       107.7040 ?        ?        170.7271 13.30021 0.000000       13.30021 
1 1 1 16  15  2  o 245.1511 12.59157 1460.824       147.0837 0.000000       0.000000 1460.824       147.0837 ?        ?        245.1511 12.59157 0.000000       12.59157 
1 1 1 16  15  3  f 450.0467 12.26569 4910.990       263.6652 0.000000       0.000000 4910.990       263.6652 ?        ?        450.0467 12.26569 0.000000       12.26569 
1 1 1 16  15  4  o 276.2386 10.64114 1845.535       140.2710 0.000000       0.000000 1845.535       140.2710 ?        ?        276.2386 10.64114 0.000000       10.64114 
1 1 1 16  15  5  o 90.69952 20.07795 211.3159       84.76033 0.000000       0.000000 211.3159       84.76033 ?        ?        90.69952 20.07795 0.000000       20.07795 
1 1 1 16  15  6  o 149.3951 12.30724 544.4818       87.12445 0.000000       0.000000 544.4818       87.12445 ?        ?        149.3951 12.30724 0.000000       12.30724 
1 1 1 16  15  7  o 281.9864 12.24095 1930.808       164.6326 0.000000       0.000000 1930.808       164.6326 ?        ?        281.9864 12.24095 0.000000       12.24095 
1 1 1 16  15  8  o 219.6335 12.52800 1173.770       131.0037 0.000000       0.000000 1173.770       131.0037 ?        ?        219.6335 12.52800 0.000000       12.52800 
1 1 1 16  15  9  o 50.02405 20.00272 33.62301       72.39309 0.000000       0.000000 33.62301       72.39309 ?        ?        50.02405 20.00272 0.000000       20.00272 
1 1 1 16  15  10 o 48.63813 20.00746 22.12895       74.83797 0.000000       0.000000 22.12895       74.83797 ?        ?        48.63813 20.00746 0.000000       20.00746 
1 1 1 16  15  11 o 93.67546 15.97031 220.4888       68.96043 0.000000       0.000000 220.4888       68.96043 ?        ?        93.67546 15.97031 0.000000       15.97031 
1 1 1 16  15  12 o 332.2900 10.14929 2668.597       161.0468 0.000000       0.000000 2668.597       161.0468 ?        ?        332.2900 10.14929 0.000000       10.14929 
1 1 1 16  15  13 o 113.6739 16.65603 323.5243       87.83436 0.000000       0.000000 323.5243       87.83436 ?        ?        113.6739 16.65603 0.000000       16.65603 
1 1 1 16  15  14 o 232.8011 13.53043 1324.037       149.9442 0.000000       0.000000 1324.037       149.9442 ?        ?        232.8011 13.53043 0.000000       13.53043 
1 1 1 16  15  15 o 94.51080 20.47824 230.7565       89.85158 0.000000       0.000000 230.7565       89.85158 ?        ?        94.51080 20.47824 0.000000       20.47824 
1 1 1 16  15  16 o 148.7496 13.19320 542.9856       92.85197 0.000000       0.000000 542.9856       92.85197 ?        ?        148.7496 13.19320 0.000000       13.19320 
1 1 1 16  15  17 o 45.19630 19.27803 4.097848       73.43565 321.7117       128.6175 -149.5235      89.44912 110.1465 24.99868 34.78586 16.91634 75.36067       30.18438 
1 1 1 16  15  18 o 274.3666 12.16984 1836.058       159.2364 1965.744       267.2159 1764.647       198.2890 279.1632 20.15719 267.2699 15.58579 11.89331       25.47998 
1 1 1 16  15  19 o 125.8224 23.23322 416.1874       134.6105 454.7055       158.8371 318.0128       253.5825 130.0403 26.45009 107.1507 38.66258 22.88960       46.84444 
1 1 1 16  15  20 o 120.3496 24.55349 386.7564       136.4850 401.0746       141.8505 208.1558       500.9879 122.3459 25.09384 109.8518 48.54346 12.49412       54.64585 
1 1 1 16  15  21 o 62.53477 28.05769 -36.43071      174.0414 194.0988       210.0141 -541.8640      310.9690 89.84063 34.61601 60.33221 29.78213 29.50842       45.66447 
1 1 1 16  15  22 o 77.68553 27.68259 150.9797       129.5606 189.1633       134.2294 -369.4454      495.5512 84.30826 28.26488 84.75324 40.87748 -0.4449844     49.69781 
1 1 1 16  15  23 o 148.4713 20.98156 574.3961       144.7864 872.0159       168.5768 -262.4895      282.6832 184.4039 19.41223 65.77483 31.50223 118.6291       37.00304 
1 1 1 16  15  24 o 77.67357 28.53036 150.4595       138.9566 56.39596       145.4278 1137.401       471.0666 65.93173 27.57108 172.6358 52.45216 -106.7041      59.25702 
1 1 1 16  15  25 o 242.0515 16.95844 1489.475       195.0049 1433.074       236.5735 1609.027       344.4286 233.3183 21.44827 235.8441 31.32033 -2.525879      37.96039 
1 1 1 16  15  26 o 86.69804 31.19825 216.8920       164.9866 182.6642       208.6463 274.0070       269.5232 84.19441 33.85788 95.45751 38.44849 -11.26310      51.23127 
1 1 1 16  15  27 o 74.77670 29.36721 140.9794       153.4350 145.2358       162.4622 105.8397       466.7978 75.93382 30.09512 90.45614 42.47580 -14.52232      52.05679 
1 1 1 16  15  28 o 46.06121 21.95287 -124.0460      133.7521 -111.3387      160.4144 -153.0301      242.2691 51.93082 24.54276 61.63572 29.42271 -9.704895      38.31505 
1 1 1 16  15  29 o 55.66856 25.02611 -5.415935      139.2203 -70.34148      167.6150 139.0213       250.0027 55.17981 25.76212 78.54401 34.51599 -23.36420      43.07018 
1 1 1 16  15  30 o 56.69211 26.79046 -82.16030      191.0589 78.76018       294.3685 -199.2937      251.1459 74.64016 34.60712 58.35270 28.36968 16.28746       44.74921 
1 1 1 16  15  31 o 44.07213 21.75548 -249.3931      165.9308 -208.8987      175.5659 -588.2426      507.8622 47.28847 23.14844 66.00674 33.35472 -18.71827      40.60034 
1 1 1 16  16  0  o 219.2189 12.28285 1169.875       128.2169 0.000000       0.000000 1169.875       128.2169 ?        ?        219.2189 12.28285 0.000000       12.28285 
1 1 1 16  16  1  o 137.0470 17.83286 469.9438       114.0736 0.000000       0.000000 469.9438       114.0736 ?        ?        137.0470 17.83286 0.000000       17.83286 
1 1 1 16  16  2  o 88.52660 17.30223 198.8524       70.60303 0.000000       0.000000 198.8524       70.60303 ?        ?        88.52660 17.30223 0.000000       17.30223 
1 1 1 16  16  3  o 39.05276 17.16276 -13.65500      61.82201 0.000000       0.000000 -13.65500      61.82201 ?        ?        39.05276 17.16276 0.000000       17.16276 
1 1 1 16  16  4  o 49.78869 20.94136 12.98492       84.64781 0.000000       0.000000 12.98492       84.64781 ?        ?        49.78869 20.94136 0.000000       20.94136 
1 1 1 16  16  5  o 354.9594 11.87536 3055.137       201.2435 0.000000       0.000000 3055.137       201.2435 ?        ?        354.9594 11.87536 0.000000       11.87536 
1 1 1 16  16  6  o 72.14363 19.96615 133.1196       71.20197 0.000000       0.000000 133.1196       71.20197 ?        ?        72.14363 19.96615 0.000000       19.96615 
1 1 1 16  16  7  o 182.4944 14.43923 816.6524       124.9542 0.000000       0.000000 816.6524       124.9542 ?        ?        182.4944 14.43923 0.000000       14.43923 
1 1 1 16  16  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  16  24 o 64.04966 29.60587 -79.66809      212.9919 -246.7310      334.8555 33.85188       276.0282 71.06660 34.10257 78.83902 35.35687 -7.772423      49.12325 
1 1 1 16  16  25 o 249.0571 25.59523 1721.275       300.4330 1582.721       366.6853 2004.227       524.0096 226.0810 35.05973 231.1854 48.93739 -5.104446      60.20010 
1 1 1 16  16  26 o 132.5217 35.01600 574.3544       225.1449 199.4744       357.0112 821.8932       290.1064 90.80698 40.50343 154.1893 39.25723 -63.38230      56.40619 
1 1 1 16  16  27 o 98.49535 36.64962 333.0674       230.6083 212.8756       362.3000 414.9286       298.9993 90.15944 40.46461 104.6014 41.02082 -14.44197      57.62025 
1 1 1 16  16  28 o 75.88213 34.61356 67.48539       278.2095 79.19356       332.9947 40.42189       506.2729 79.82513 36.94013 85.63828 41.30758 -5.813156      55.41561 
1 1 1 16  16  29 o 65.82447 28.51678 78.00803       165.4924 125.3023       175.3818 -306.2313      499.8978 71.27345 30.06975 73.44357 36.51608 -2.170120      47.30343 
1 1 1 16  16  30 o 65.23455 27.87799 94.62341       154.0910 78.07204       183.9549 133.5518       282.1158 66.06138 29.29269 75.29415 34.53711 -9.232773      45.28657 
1 1 1 16  17  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  17  1  o 259.0975 20.27221 1687.882       249.1171 0.000000       0.000000 1687.882       249.1171 ?        ?        259.0975 20.27221 0.000000       20.27221 
1 1 1 16  17  2  o 150.1895 24.41559 586.5619       169.2976 0.000000       0.000000 586.5619       169.2976 ?        ?        150.1895 24.41559 0.000000       24.41559 
1 1 1 16  17  3  o 110.0760 38.40506 327.2445       248.3674 0.000000       0.000000 327.2445       248.3674 ?        ?        110.0760 38.40506 0.000000       38.40506 
1 1 1 16  17  4  o 105.3083 19.91455 284.3582       96.59114 0.000000       0.000000 284.3582       96.59114 ?        ?        105.3083 19.91455 0.000000       19.91455 
1 1 1 16  17  5  f 150.4473 15.66247 560.5628       111.0083 0.000000       0.000000 560.5628       111.0083 ?        ?        150.4473 15.66247 0.000000       15.66247 
1 1 1 16  17  6  o 214.6033 11.23401 1118.444       114.8589 0.000000       0.000000 1118.444       114.8589 ?        ?        214.6033 11.23401 0.000000       11.23401 
1 1 1 16  17  7  f 154.7955 13.10000 587.0625       96.03841 0.000000       0.000000 587.0625       96.03841 ?        ?        154.7955 13.10000 0.000000       13.10000 
1 1 1 16  17  8  o 193.2169 13.12758 912.6884       120.5456 0.000000       0.000000 912.6884       120.5456 ?        ?        193.2169 13.12758 0.000000       13.12758 
1 1 1 16  17  9  o 246.7731 10.57627 1475.864       124.4888 0.000000       0.000000 1475.864       124.4888 ?        ?        246.7731 10.57627 0.000000       10.57627 
1 1 1 16  17  10 o 198.4591 13.89975 965.8878       131.0484 0.000000       0.000000 965.8878       131.0484 ?        ?        198.4591 13.89975 0.000000       13.89975 
1 1 1 16  17  11 o 252.7108 10.80300 1549.494       130.2187 0.000000       0.000000 1549.494       130.2187 ?        ?        252.7108 10.80300 0.000000       10.80300 
1 1 1 16  17  12 o 135.9590 13.63094 455.7079       87.40791 0.000000       0.000000 455.7079       87.40791 ?        ?        135.9590 13.63094 0.000000       13.63094 
1 1 1 16  17  13 o 68.84052 22.73815 117.2716       86.93716 0.000000       0.000000 117.2716       86.93716 ?        ?        68.84052 22.73815 0.000000       22.73815 
1 1 1 16  17  14 o 161.5554 13.63182 642.8493       104.3076 0.000000       0.000000 642.8493       104.3076 ?        ?        161.5554 13.63182 0.000000       13.63182 
1 1 1 16  17  15 o 88.69108 21.93306 207.3074       92.47491 0.000000       0.000000 207.3074       92.47491 ?        ?        88.69108 21.93306 0.000000       21.93306 
1 1 1 16  17  16 o 156.2753 13.61290 602.6973       100.6927 0.000000       0.000000 602.6973       100.6927 ?        ?        156.2753 13.61290 0.000000       13.61290 
1 1 1 16  17  17 o 108.9098 19.20622 305.8254       96.35046 0.000000       0.000000 305.8254       96.35046 ?        ?        108.9098 19.20622 0.000000       19.20622 
1 1 1 16  17  18 o 185.1940 13.12772 844.8845       115.4783 0.000000       0.000000 844.8845       115.4783 ?        ?        185.1940 13.12772 0.000000       13.12772 
1 1 1 16  17  19 o 101.6129 16.81787 263.5453       78.84571 91.35511       248.3587 282.8446       83.14696 83.03027 35.43529 105.2335 17.11413 -22.20323      39.35167 
1 1 1 16  17  20 o 82.28159 17.48353 175.5913       66.65317 104.3794       151.9130 192.5686       74.17406 73.15767 29.06725 85.88975 18.60280 -12.73208      34.51042 
1 1 1 16  17  21 o 81.95589 19.67386 177.5996       76.10741 -250.7380      159.5313 303.8123       86.59729 45.82421 22.35260 108.8426 17.21348 -63.01834      28.21245 
1 1 1 16  17  22 o 155.6712 23.00193 647.4181       166.0424 727.3285       216.3107 532.7924       259.0702 160.2174 29.31982 128.5998 38.86182 31.61765       48.68155 
1 1 1 16  17  23 o 75.00797 31.14256 105.9440       183.6195 30.43237       203.1061 443.7838       429.6071 70.29196 30.99178 111.7791 47.10530 -41.48714      56.38617 
1 1 1 16  17  24 o 91.06418 31.91637 248.6272       171.6494 153.6114       207.3708 455.3984       305.9106 80.87979 33.29101 112.0807 42.10822 -31.20095      53.67862 
1 1 1 16  17  25 o 75.99757 30.92749 136.9057       176.4458 194.7391       212.2876 7.676416       317.3332 84.28238 34.06034 77.94627 36.06727 6.336113       49.60801 
1 1 1 16  17  26 o 108.6477 33.88408 392.3834       195.0286 439.5262       207.4076 32.44209       573.1027 114.1429 34.82942 90.10428 43.58101 24.03861       55.78882 
1 1 1 16  17  27 o 184.3584 23.60765 962.0391       203.3082 662.0321       250.3608 1542.963       348.3856 135.9461 37.36805 215.9009 34.94520 -79.95482      51.16188 
1 1 1 16  17  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  17  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  18  0  o 73.89218 19.36241 141.5397       69.21276 0.000000       0.000000 141.5397       69.21276 ?        ?        73.89218 19.36241 0.000000       19.36241 
1 1 1 16  18  1  o 115.5898 17.31492 337.6035       92.74419 0.000000       0.000000 337.6035       92.74419 ?        ?        115.5898 17.31492 0.000000       17.31492 
1 1 1 16  18  2  o 61.11116 20.44566 89.97054       70.23951 0.000000       0.000000 89.97054       70.23951 ?        ?        61.11116 20.44566 0.000000       20.44566 
1 1 1 16  18  3  o 111.1903 15.33330 309.0901       79.34232 0.000000       0.000000 309.0901       79.34232 ?        ?        111.1903 15.33330 0.000000       15.33330 
1 1 1 16  18  4  o 235.3383 12.08274 1350.515       135.4908 0.000000       0.000000 1350.515       135.4908 ?        ?        235.3383 12.08274 0.000000       12.08274 
1 1 1 16  18  5  o 252.6002 13.07870 1560.411       157.4074 0.000000       0.000000 1560.411       157.4074 ?        ?        252.6002 13.07870 0.000000       13.07870 
1 1 1 16  18  6  o 202.5988 10.53572 996.8217       101.6986 0.000000       0.000000 996.8217       101.6986 ?        ?        202.5988 10.53572 0.000000       10.53572 
1 1 1 16  18  7  o 257.5926 12.77804 1621.146       156.8730 0.000000       0.000000 1621.146       156.8730 ?        ?        257.5926 12.77804 0.000000       12.77804 
1 1 1 16  18  8  o 260.5373 10.04100 1644.907       124.8365 0.000000       0.000000 1644.907       124.8365 ?        ?        260.5373 10.04100 0.000000       10.04100 
1 1 1 16  18  9  f 192.9010 12.80550 911.2327       117.4286 0.000000       0.000000 911.2327       117.4286 ?        ?        192.9010 12.80550 0.000000       12.80550 
1 1 1 16  18  10 o 254.2861 9.970930 1567.275       120.9829 0.000000       0.000000 1567.275       120.9829 ?        ?        254.2861 9.970930 0.000000       9.970930 
1 1 1 16  18  11 o 197.7306 13.44527 960.2889       126.3458 0.000000       0.000000 960.2889       126.3458 ?        ?        197.7306 13.44527 0.000000       13.44527 
1 1 1 16  18  12 o 57.34981 20.59064 72.88184       71.82051 0.000000       0.000000 72.88184       71.82051 ?        ?        57.34981 20.59064 0.000000       20.59064 
1 1 1 16  18  13 f 243.3936 14.33835 1459.973       166.1073 0.000000       0.000000 1459.973       166.1073 ?        ?        243.3936 14.33835 0.000000       14.33835 
1 1 1 16  18  14 o 211.0360 12.61805 1091.873       126.7271 0.000000       0.000000 1091.873       126.7271 ?        ?        211.0360 12.61805 0.000000       12.61805 
1 1 1 16  18  15 o 232.3907 12.07270 1321.458       133.6718 0.000000       0.000000 1321.458       133.6718 ?        ?        232.3907 12.07270 0.000000       12.07270 
1 1 1 16  18  16 o 360.6383 15.47956 3225.207       266.2726 0.000000       0.000000 3225.207       266.2726 ?        ?        360.6383 15.47956 0.000000       15.47956 
1 1 1 16  18  17 o 154.3340 13.39377 589.0811       97.84881 0.000000       0.000000 589.0811       97.84881 ?        ?        154.3340 13.39377 0.000000       13.39377 
1 1 1 16  18  18 o 127.6454 15.40618 409.4670       92.11806 0.000000       0.000000 409.4670       92.11806 ?        ?        127.6454 15.40618 0.000000       15.40618 
1 1 1 16  18  19 o 128.0194 18.03919 420.2558       107.3509 0.000000       0.000000 420.2558       107.3509 ?        ?        128.0194 18.03919 0.000000       18.03919 
1 1 1 16  18  20 o 176.2682 12.37116 767.5594       103.5920 688.2070       303.1812 778.0481       110.2259 144.1496 41.65678 177.1252 13.10945 -32.97552      43.67087 
1 1 1 16  18  21 o 91.68478 17.36936 219.4129       73.34953 57.62880       179.6622 251.7726       80.35100 70.00607 30.01382 98.19197 17.77020 -28.18590      34.87993 
1 1 1 16  18  22 o 142.3500 13.60401 508.9734       91.45840 -34.26278      204.1612 645.3588       102.2970 65.14722 29.69169 160.5032 13.45497 -95.35594      32.59805 
1 1 1 16  18  23 o 61.78406 25.05585 70.70599       115.3375 193.4010       136.6196 -233.6819      215.1856 82.16198 28.49467 55.13802 26.67745 27.02396       39.03373 
1 1 1 16  18  24 o 80.16235 27.18845 184.9628       124.1968 296.2062       147.3116 -88.45083      230.9458 98.57812 29.19167 64.12334 30.03580 34.45477       41.88440 
1 1 1 16  18  25 o 102.6509 27.34657 317.1362       136.6105 158.1987       159.9872 744.9373       262.4781 76.60857 30.01719 146.9943 37.29572 -70.38577      47.87486 
1 1 1 16  18  26 o 170.3979 19.69145 788.0357       157.4688 740.3736       187.9132 900.4326       288.5680 159.0151 25.58573 157.4123 38.63614 1.602768       46.33984 
1 1 1 16  18  27 o 41.26089 19.86125 -125.9551      115.6180 -142.8322      119.3664 130.1819       465.0172 41.04065 19.85970 83.10143 39.95799 -42.06078      44.62117 
1 1 1 16  18  28 o 73.24570 30.83797 155.7147       183.8471 -81.06296      226.9692 607.4741       313.5091 60.06065 28.61725 110.0231 42.31956 -49.96241      51.08711 
1 1 1 16  19  0  o 152.2250 14.51708 575.2382       104.3731 0.000000       0.000000 575.2382       104.3731 ?        ?        152.2250 14.51708 0.000000       14.51708 
1 1 1 16  19  1  o 126.0311 23.41087 418.4105       135.8685 0.000000       0.000000 418.4105       135.8685 ?        ?        126.0311 23.41087 0.000000       23.41087 
1 1 1 16  19  2  o 127.4985 17.11501 410.0279       101.6929 0.000000       0.000000 410.0279       101.6929 ?        ?        127.4985 17.11501 0.000000       17.11501 
1 1 1 16  19  3  o 176.7369 11.73061 763.3542       98.55791 0.000000       0.000000 763.3542       98.55791 ?        ?        176.7369 11.73061 0.000000       11.73061 
1 1 1 16  19  4  o 214.3108 13.57196 1128.519       138.3434 0.000000       0.000000 1128.519       138.3434 ?        ?        214.3108 13.57196 0.000000       13.57196 
1 1 1 16  19  5  o 51.96416 20.24076 46.00101       72.39329 0.000000       0.000000 46.00101       72.39329 ?        ?        51.96416 20.24076 0.000000       20.24076 
1 1 1 16  19  6  o 66.08092 17.28197 112.4158       55.20853 0.000000       0.000000 112.4158       55.20853 ?        ?        66.08092 17.28197 0.000000       17.28197 
1 1 1 16  19  7  o 279.1483 10.03629 1889.974       133.7240 0.000000       0.000000 1889.974       133.7240 ?        ?        279.1483 10.03629 0.000000       10.03629 
1 1 1 16  19  8  o 201.4782 11.60913 990.9874       111.3508 0.000000       0.000000 990.9874       111.3508 ?        ?        201.4782 11.60913 0.000000       11.60913 
1 1 1 16  19  9  o 87.64252 19.91378 200.4285       81.53750 0.000000       0.000000 200.4285       81.53750 ?        ?        87.64252 19.91378 0.000000       19.91378 
1 1 1 16  19  10 o 61.73520 16.90648 97.76575       51.35625 0.000000       0.000000 97.76575       51.35625 ?        ?        61.73520 16.90648 0.000000       16.90648 
1 1 1 16  19  11 o 221.1548 12.74934 1199.482       134.2295 0.000000       0.000000 1199.482       134.2295 ?        ?        221.1548 12.74934 0.000000       12.74934 
1 1 1 16  19  12 o 43.64787 18.92062 -3.875058      72.94134 0.000000       0.000000 -3.875058      72.94134 ?        ?        43.64787 18.92062 0.000000       18.92062 
1 1 1 16  19  13 o 324.1703 15.00841 2600.094       231.9722 0.000000       0.000000 2600.094       231.9722 ?        ?        324.1703 15.00841 0.000000       15.00841 
1 1 1 16  19  14 o 242.8291 14.06378 1456.300       162.5732 0.000000       0.000000 1456.300       162.5732 ?        ?        242.8291 14.06378 0.000000       14.06378 
1 1 1 16  19  15 o 90.19206 22.22278 217.2433       95.19270 0.000000       0.000000 217.2433       95.19270 ?        ?        90.19206 22.22278 0.000000       22.22278 
1 1 1 16  19  16 o 97.77719 17.93609 247.2072       80.75547 0.000000       0.000000 247.2072       80.75547 ?        ?        97.77719 17.93609 0.000000       17.93609 
1 1 1 16  19  17 o 184.7091 13.98715 848.5524       122.5987 0.000000       0.000000 848.5524       122.5987 ?        ?        184.7091 13.98715 0.000000       13.98715 
1 1 1 16  19  18 o 63.87802 25.10947 80.53389       112.2563 0.000000       0.000000 80.53389       112.2563 ?        ?        63.87802 25.10947 0.000000       25.10947 
1 1 1 16  19  19 o 53.31131 22.64375 22.27111       100.5748 0.000000       0.000000 22.27111       100.5748 ?        ?        53.31131 22.64375 0.000000       22.64375 
1 1 1 16  19  20 o 50.14516 21.83915 3.262202       98.12823 0.000000       0.000000 3.262202       98.12823 ?        ?        50.14516 21.83915 0.000000       21.83915 
1 1 1 16  19  21 o 136.7962 13.93010 472.7522       89.83419 807.8968       310.2604 442.0839       93.85449 150.8094 41.65578 131.5820 15.19838 19.22740       44.34180 
1 1 1 16  19  22 o 106.5818 16.17838 295.0900       79.85119 1050.529       307.1411 240.3279       82.69478 178.9017 37.12721 94.62597 18.94073 84.27578       41.67950 
1 1 1 16  19  23 o 84.91783 19.39127 196.5322       76.99084 464.9020       309.9602 178.8858       79.48178 109.3465 42.07417 80.42299 20.58678 28.92355       46.84069 
1 1 1 16  19  24 o 111.5418 32.69379 413.3277       185.5712 60.83793       288.1472 663.1330       242.5728 76.42321 34.99874 138.2183 36.26285 -61.79510      50.39748 
1 1 1 16  19  25 o 50.30597 24.18758 -151.9024      170.3405 -104.7919      235.9265 -203.2040      246.1971 61.52235 29.27496 58.31583 28.29071 3.206516       40.71103 
1 1 1 16  19  26 o 89.03067 33.08588 285.3374       187.8279 656.4580       258.0320 -132.9496      273.9386 127.4979 38.83702 62.95638 30.37154 64.54153       49.30258 
1 1 1 16  20  0  o 138.2999 17.78227 489.4843       114.8580 0.000000       0.000000 489.4843       114.8580 ?        ?        138.2999 17.78227 0.000000       17.78227 
1 1 1 16  20  1  o 164.1251 16.26085 678.9950       125.9173 0.000000       0.000000 678.9950       125.9173 ?        ?        164.1251 16.26085 0.000000       16.26085 
1 1 1 16  20  2  o 78.50838 21.52469 164.1138       83.19049 0.000000       0.000000 164.1138       83.19049 ?        ?        78.50838 21.52469 0.000000       21.52469 
1 1 1 16  20  3  o 108.6429 14.29611 296.0358       72.45513 0.000000       0.000000 296.0358       72.45513 ?        ?        108.6429 14.29611 0.000000       14.29611 
1 1 1 16  20  4  o 37.70742 17.56974 -63.56794      77.34120 0.000000       0.000000 -63.56794      77.34120 ?        ?        37.70742 17.56974 0.000000       17.56974 
1 1 1 16  20  5  o 112.1620 13.07554 312.6108       68.80198 0.000000       0.000000 312.6108       68.80198 ?        ?        112.1620 13.07554 0.000000       13.07554 
1 1 1 16  20  6  o 66.26092 24.84911 95.48320       106.4304 0.000000       0.000000 95.48320       106.4304 ?        ?        66.26092 24.84911 0.000000       24.84911 
1 1 1 16  20  7  o 187.9855 14.70646 877.8957       131.1211 0.000000       0.000000 877.8957       131.1211 ?        ?        187.9855 14.70646 0.000000       14.70646 
1 1 1 16  20  8  o 188.9572 13.62601 882.4048       122.2683 0.000000       0.000000 882.4048       122.2683 ?        ?        188.9572 13.62601 0.000000       13.62601 
1 1 1 16  20  9  o 99.63708 19.36893 258.6039       88.94048 0.000000       0.000000 258.6039       88.94048 ?        ?        99.63708 19.36893 0.000000       19.36893 
1 1 1 16  20  10 o 118.2479 14.44943 350.0566       79.99207 0.000000       0.000000 350.0566       79.99207 ?        ?        118.2479 14.44943 0.000000       14.44943 
1 1 1 16  20  11 o 141.5225 14.23315 499.3102       94.99551 0.000000       0.000000 499.3102       94.99551 ?        ?        141.5225 14.23315 0.000000       14.23315 
1 1 1 16  20  12 o 161.5829 11.97703 642.7752       91.86585 0.000000       0.000000 642.7752       91.86585 ?        ?        161.5829 11.97703 0.000000       11.97703 
1 1 1 16  20  13 o 33.79810 14.80597 -7.635652      45.67773 0.000000       0.000000 -7.635652      45.67773 ?        ?        33.79810 14.80597 0.000000       14.80597 
1 1 1 16  20  14 o 51.94270 21.86092 22.92179       92.33559 0.000000       0.000000 22.92179       92.33559 ?        ?        51.94270 21.86092 0.000000       21.86092 
1 1 1 16  20  15 o 127.7969 17.48319 420.2013       104.0217 0.000000       0.000000 420.2013       104.0217 ?        ?        127.7969 17.48319 0.000000       17.48319 
1 1 1 16  20  16 o 124.1227 15.35898 391.4155       89.19995 0.000000       0.000000 391.4155       89.19995 ?        ?        124.1227 15.35898 0.000000       15.35898 
1 1 1 16  20  17 o 119.2388 16.66093 366.3635       92.38908 0.000000       0.000000 366.3635       92.38908 ?        ?        119.2388 16.66093 0.000000       16.66093 
1 1 1 16  20  18 o 77.03947 20.53901 161.4036       77.02537 0.000000       0.000000 161.4036       77.02537 ?        ?        77.03947 20.53901 0.000000       20.53901 
1 1 1 16  20  19 o 127.4296 19.33651 430.4938       114.1087 0.000000       0.000000 430.4938       114.1087 ?        ?        127.4296 19.33651 0.000000       19.33651 
1 1 1 16  20  20 o 66.11497 25.88098 98.87549       118.8399 0.000000       0.000000 98.87549       118.8399 ?        ?        66.11497 25.88098 0.000000       25.88098 
1 1 1 16  20  21 o 66.74692 24.80424 113.2302       105.5656 0.000000       0.000000 113.2302       105.5656 ?        ?        66.74692 24.80424 0.000000       24.80424 
1 1 1 16  20  22 o 75.54381 24.18643 164.1817       98.77769 -497.2449      316.6316 235.4930       103.9662 57.84657 28.81037 90.06426 23.79348 -32.21769      37.36532 
1 1 1 16  20  23 o 63.08174 24.53596 97.75041       106.2574 315.9153       318.7034 70.46654       112.7061 91.79002 39.66954 59.77521 24.56707 32.01481       46.66061 
1 1 1 16  20  24 o 54.63803 22.88853 49.04268       100.4915 765.5694       326.9598 -25.70481      105.6030 127.7365 44.09207 46.92712 21.37477 80.80943       48.99992 
1 1 1 16  21  0  o 100.6564 20.30937 270.0997       94.35971 0.000000       0.000000 270.0997       94.35971 ?        ?        100.6564 20.30937 0.000000       20.30937 
1 1 1 16  21  1  o 75.25539 22.24929 152.5742       85.63216 0.000000       0.000000 152.5742       85.63216 ?        ?        75.25539 22.24929 0.000000       22.24929 
1 1 1 16  21  2  o 84.98363 28.07840 200.2474       132.5653 0.000000       0.000000 200.2474       132.5653 ?        ?        84.98363 28.07840 0.000000       28.07840 
1 1 1 16  21  3  o 106.1127 15.73353 287.3180       77.40406 0.000000       0.000000 287.3180       77.40406 ?        ?        106.1127 15.73353 0.000000       15.73353 
1 1 1 16  21  4  o 141.9113 12.66528 500.0237       85.02694 0.000000       0.000000 500.0237       85.02694 ?        ?        141.9113 12.66528 0.000000       12.66528 
1 1 1 16  21  5  o 152.3187 12.90271 576.2994       93.07673 0.000000       0.000000 576.2994       93.07673 ?        ?        152.3187 12.90271 0.000000       12.90271 
1 1 1 16  21  6  o 132.2749 19.46357 456.4290       119.4094 0.000000       0.000000 456.4290       119.4094 ?        ?        132.2749 19.46357 0.000000       19.46357 
1 1 1 16  21  7  o 85.09339 22.46822 196.9615       92.73903 0.000000       0.000000 196.9615       92.73903 ?        ?        85.09339 22.46822 0.000000       22.46822 
1 1 1 16  21  8  o 65.27155 27.87438 42.47159       153.8583 0.000000       0.000000 42.47159       153.8583 ?        ?        65.27155 27.87438 0.000000       27.87438 
1 1 1 16  21  9  o 39.08633 16.40397 10.04605       51.76315 0.000000       0.000000 10.04605       51.76315 ?        ?        39.08633 16.40397 0.000000       16.40397 
1 1 1 16  21  10 o 93.13824 17.11641 225.4441       73.40874 0.000000       0.000000 225.4441       73.40874 ?        ?        93.13824 17.11641 0.000000       17.11641 
1 1 1 16  21  11 o 89.53455 34.92151 215.6487       215.7218 0.000000       0.000000 215.6487       215.7218 ?        ?        89.53455 34.92151 0.000000       34.92151 
1 1 1 16  21  12 o 230.8816 13.93751 1331.321       153.1284 0.000000       0.000000 1331.321       153.1284 ?        ?        230.8816 13.93751 0.000000       13.93751 
1 1 1 16  21  13 f 109.3205 15.42318 305.4275       78.37199 0.000000       0.000000 305.4275       78.37199 ?        ?        109.3205 15.42318 0.000000       15.42318 
1 1 1 16  21  14 o 158.0170 13.72906 626.2939       102.6894 0.000000       0.000000 626.2939       102.6894 ?        ?        158.0170 13.72906 0.000000       13.72906 
1 1 1 16  21  15 o 137.8275 15.51828 484.5087       100.4807 0.000000       0.000000 484.5087       100.4807 ?        ?        137.8275 15.51828 0.000000       15.51828 
1 1 1 16  21  16 o 154.6083 14.23321 603.7022       104.0269 0.000000       0.000000 603.7022       104.0269 ?        ?        154.6083 14.23321 0.000000       14.23321 
1 1 1 16  21  17 o 59.70459 20.29952 91.07499       69.23727 0.000000       0.000000 91.07499       69.23727 ?        ?        59.70459 20.29952 0.000000       20.29952 
1 1 1 16  21  18 o 173.6989 14.36455 765.8248       118.2226 0.000000       0.000000 765.8248       118.2226 ?        ?        173.6989 14.36455 0.000000       14.36455 
1 1 1 16  21  19 o 105.7698 17.99973 298.5801       87.76261 0.000000       0.000000 298.5801       87.76261 ?        ?        105.7698 17.99973 0.000000       17.99973 
1 1 1 16  21  20 o 67.12318 21.52085 125.2050       78.18460 0.000000       0.000000 125.2050       78.18460 ?        ?        67.12318 21.52085 0.000000       21.52085 
1 1 1 16  21  21 o 141.0902 18.71776 538.6119       123.1462 0.000000       0.000000 538.6119       123.1462 ?        ?        141.0902 18.71776 0.000000       18.71776 
1 1 1 16  21  22 o 178.5247 16.63255 844.3583       140.3265 0.000000       0.000000 844.3583       140.3265 ?        ?        178.5247 16.63255 0.000000       16.63255 
1 1 1 16  22  0  o 74.23125 29.01303 137.8311       149.1519 0.000000       0.000000 137.8311       149.1519 ?        ?        74.23125 29.01303 0.000000       29.01303 
1 1 1 16  22  1  o 163.7905 15.18743 683.2575       117.5728 0.000000       0.000000 683.2575       117.5728 ?        ?        163.7905 15.18743 0.000000       15.18743 
1 1 1 16  22  2  o 114.8517 17.58197 345.1655       93.47393 0.000000       0.000000 345.1655       93.47393 ?        ?        114.8517 17.58197 0.000000       17.58197 
1 1 1 16  22  3  o 107.9616 20.56884 314.3429       102.2911 0.000000       0.000000 314.3429       102.2911 ?        ?        107.9616 20.56884 0.000000       20.56884 
1 1 1 16  22  4  o 41.99101 16.87667 25.42518       51.80859 0.000000       0.000000 25.42518       51.80859 ?        ?        41.99101 16.87667 0.000000       16.87667 
1 1 1 16  22  5  o 26.94748 12.87731 -59.19887      46.66592 0.000000       0.000000 -59.19887      46.66592 ?        ?        26.94748 12.87731 0.000000       12.87731 
1 1 1 16  22  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  22  7  o 88.42289 21.23007 213.3426       88.61156 0.000000       0.000000 213.3426       88.61156 ?        ?        88.42289 21.23007 0.000000       21.23007 
1 1 1 16  22  8  o 177.9385 14.37510 797.3850       121.2493 0.000000       0.000000 797.3850       121.2493 ?        ?        177.9385 14.37510 0.000000       14.37510 
1 1 1 16  22  9  o 130.9530 17.59137 445.5239       107.3514 0.000000       0.000000 445.5239       107.3514 ?        ?        130.9530 17.59137 0.000000       17.59137 
1 1 1 16  22  10 o 57.65828 22.31504 68.97768       87.55807 0.000000       0.000000 68.97768       87.55807 ?        ?        57.65828 22.31504 0.000000       22.31504 
1 1 1 16  22  11 o 62.86951 18.42405 104.8979       58.93670 0.000000       0.000000 104.8979       58.93670 ?        ?        62.86951 18.42405 0.000000       18.42405 
1 1 1 16  22  12 o 48.63116 17.81566 52.63233       54.12728 0.000000       0.000000 52.63233       54.12728 ?        ?        48.63116 17.81566 0.000000       17.81566 
1 1 1 16  22  13 o 31.53649 14.32811 -23.25637      47.07652 0.000000       0.000000 -23.25637      47.07652 ?        ?        31.53649 14.32811 0.000000       14.32811 
1 1 1 16  22  14 o 97.40572 20.14868 258.8534       90.73158 0.000000       0.000000 258.8534       90.73158 ?        ?        97.40572 20.14868 0.000000       20.14868 
1 1 1 16  22  15 o 139.9245 14.31619 499.8288       94.42150 0.000000       0.000000 499.8288       94.42150 ?        ?        139.9245 14.31619 0.000000       14.31619 
1 1 1 16  22  16 o 75.24376 21.41434 159.2637       80.71003 0.000000       0.000000 159.2637       80.71003 ?        ?        75.24376 21.41434 0.000000       21.41434 
1 1 1 16  22  17 o 37.63597 16.89007 -17.41631      63.10756 0.000000       0.000000 -17.41631      63.10756 ?        ?        37.63597 16.89007 0.000000       16.89007 
1 1 1 16  22  18 o 142.9309 15.40650 532.0765       103.6172 0.000000       0.000000 532.0765       103.6172 ?        ?        142.9309 15.40650 0.000000       15.40650 
1 1 1 16  22  19 o 66.65633 21.04844 125.3110       75.02468 0.000000       0.000000 125.3110       75.02468 ?        ?        66.65633 21.04844 0.000000       21.04844 
1 1 1 16  23  6  o 39.73888 16.55907 15.26342       52.18395 0.000000       0.000000 15.26342       52.18395 ?        ?        39.73888 16.55907 0.000000       16.55907 
1 1 1 16  23  7  o 219.7385 14.47541 1228.666       151.2237 0.000000       0.000000 1228.666       151.2237 ?        ?        219.7385 14.47541 0.000000       14.47541 
1 1 1 16  23  8  o 134.4513 16.84616 473.2801       105.9160 0.000000       0.000000 473.2801       105.9160 ?        ?        134.4513 16.84616 0.000000       16.84616 
1 1 1 16  23  9  o 108.3295 45.13003 518.9655       387.4796 0.000000       0.000000 518.9655       387.4796 ?        ?        108.3295 45.13003 0.000000       45.13003 
1 1 1 16  23  10 o 52.42646 18.84994 66.23986       60.21490 0.000000       0.000000 66.23986       60.21490 ?        ?        52.42646 18.84994 0.000000       18.84994 
1 1 1 16  23  11 o 122.5159 14.88732 387.5733       85.41261 0.000000       0.000000 387.5733       85.41261 ?        ?        122.5159 14.88732 0.000000       14.88732 
1 1 1 16  23  12 o 161.2097 14.10328 664.1000       107.6040 0.000000       0.000000 664.1000       107.6040 ?        ?        161.2097 14.10328 0.000000       14.10328 
1 1 1 17  -5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -3  17 o 33.90431 14.51452 4.567519       41.90313 0.000000       0.000000 4.567519       41.90313 ?        ?        33.90431 14.51452 0.000000       14.51452 
1 1 1 17  -3  18 o 88.21839 18.31852 217.2651       74.73078 0.000000       0.000000 217.2651       74.73078 ?        ?        88.21839 18.31852 0.000000       18.31852 
1 1 1 17  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -2  17 o 72.64352 14.16854 137.8129       47.43947 158.8663       66.10691 115.4595       68.11733 76.27663 18.35191 64.91098 19.98898 11.36565       27.13580 
1 1 1 17  -2  18 o 101.0063 14.20466 264.2182       66.70170 166.6618       104.1775 331.9963       86.83418 75.33233 24.89118 111.8432 16.75464 -36.51091      30.00481 
1 1 1 17  -2  19 o 74.60172 23.94241 165.1986       96.75201 270.6600       265.7411 149.0826       103.8818 86.72624 36.82075 71.29176 24.83998 15.43449       44.41612 
1 1 1 17  -2  20 o 61.29635 20.39771 104.8601       69.92658 9.749837       130.2503 143.3733       82.88388 54.35468 24.33877 69.97243 22.12704 -15.61775      32.89349 
1 1 1 17  -2  21 o 78.80379 26.59561 200.4321       118.8333 288.3167       162.8775 100.4097       173.7615 89.49523 31.10848 66.86379 29.09163 22.63144       42.59179 
1 1 1 17  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  -1  16 o 73.78078 13.59176 139.9797       46.17723 118.8764       62.73250 164.9373       68.22113 66.50210 18.86366 78.29932 18.51704 -11.79723      26.43328 
1 1 1 17  -1  17 o 151.1330 9.442998 561.2924       67.88941 585.1777       100.7325 541.4142       91.89516 151.8929 14.02999 146.5090 13.26311 5.383957       19.30676 
1 1 1 17  -1  18 o 92.35896 20.63335 235.6434       88.80805 186.5791       111.4476 320.9963       146.9931 80.13201 25.69439 102.2189 28.83464 -22.08688      38.62173 
1 1 1 17  -1  19 o 69.54704 27.35948 120.3046       133.3676 131.1759       177.2189 106.1069       202.5246 74.14692 30.67277 73.62444 31.71963 0.5224762      44.12429 
1 1 1 17  -1  20 o 52.91780 23.92443 -17.13734      129.3185 36.22670       272.9962 -32.57618      146.8384 73.34483 33.76417 54.59253 24.99479 18.75231       42.00903 
1 1 1 17  -1  21 o 98.27605 16.88247 259.1969       76.46445 169.7070       106.3915 354.8107       109.9715 75.37903 25.16202 111.9848 21.31907 -36.60580      32.97923 
1 1 1 17  -1  22 o 46.90353 20.98735 -5.979018      96.66362 51.12062       136.5896 -63.26875      136.8167 59.43126 25.82603 49.45827 23.15095 9.972996       34.68357 
1 1 1 17  -1  23 o 62.07500 26.10305 85.94526       131.4715 -294.1879      263.1078 212.4450       151.7786 55.09109 27.23178 79.21716 29.68144 -24.12607      40.28098 
1 1 1 17  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   15 o 70.36320 23.08779 129.3079       89.68607 0.000000       0.000000 129.3079       89.68607 ?        ?        70.36320 23.08779 0.000000       23.08779 
1 1 1 17  0   16 o 35.40725 15.77097 -15.84144      53.93164 5.555736       60.97652 -92.72245      115.5830 41.11280 17.55237 45.18167 21.19067 -4.068871      27.51600 
1 1 1 17  0   17 f 60.14863 18.53280 94.25588       58.54435 141.2524       86.84306 55.10493       79.26353 72.29496 22.62037 53.97836 21.13472 18.31660       30.95735 
1 1 1 17  0   18 o 69.38390 20.03430 130.0517       70.15276 149.9569       94.85240 106.0153       104.2315 73.87775 23.70582 66.04282 24.62673 7.834930       34.18248 
1 1 1 17  0   19 o 86.79060 19.40959 204.3417       78.51558 278.8741       114.5491 138.2955       107.8308 98.76218 24.40335 71.56561 25.27897 27.19658       35.13616 
1 1 1 17  0   20 o 104.2975 23.41981 308.7876       113.9135 529.3297       279.6810 264.9251       124.7281 117.8591 40.77521 94.43579 26.53393 23.42332       48.64840 
1 1 1 17  0   21 o 96.19135 25.37606 272.8411       118.3642 87.43134       258.8384 321.8643       133.0955 76.51667 34.28271 103.6605 26.69509 -27.14380      43.45034 
1 1 1 17  0   22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0   23 o 196.6263 20.30102 1067.905       188.0986 976.9462       274.1118 1148.854       258.5895 167.0656 35.41942 191.4051 29.18000 -24.33952      45.89126 
1 1 1 17  0   24 o 98.41823 28.00608 316.7939       138.0548 657.8111       271.4485 197.8105       160.3402 123.3412 40.14746 77.90109 30.18439 45.44010       50.22863 
1 1 1 17  1   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1   13 o 56.94415 19.64376 77.09299       64.89298 0.000000       0.000000 77.09299       64.89298 ?        ?        56.94415 19.64376 0.000000       19.64376 
1 1 1 17  1   14 o 78.53104 10.52501 152.7001       38.52193 0.000000       0.000000 152.7001       38.52193 ?        ?        78.53104 10.52501 0.000000       10.52501 
1 1 1 17  1   15 o 74.18259 14.76409 140.8915       50.52005 201.6855       73.02711 85.09120       69.96358 88.00681 17.96494 59.31703 20.39944 28.68979       27.18228 
1 1 1 17  1   16 o 142.6955 10.42625 498.7138       70.63814 557.0175       102.0766 445.1361       97.85210 149.2419 14.48838 132.7477 15.72316 16.49414       21.38062 
1 1 1 17  1   17 o 65.36053 18.44867 111.8553       60.15351 190.4640       80.07870 10.05662       91.12824 84.57445 20.10208 49.91683 21.38778 34.65762       29.35185 
1 1 1 17  1   18 o 115.8054 14.77641 339.1937       79.94895 343.2999       111.3048 334.8171       114.9112 113.3673 21.31841 111.3658 22.36008 2.001503       30.89414 
1 1 1 17  1   19 o 196.8119 11.22312 954.5375       105.1645 1105.474       147.7970 799.7495       149.6709 209.5487 14.84890 175.9604 18.04702 33.58832       23.37060 
1 1 1 17  1   20 f 79.65490 24.90688 178.3509       105.3047 491.9792       168.8730 -21.19254      134.7012 129.9073 28.01538 54.80149 24.62808 75.10583       37.30153 
1 1 1 17  1   21 o 65.23878 27.29557 72.22548       142.6480 19.86351       184.6139 149.8064       224.7160 65.52287 29.18230 80.46826 33.99764 -14.94539      44.80454 
1 1 1 17  1   22 o 60.18140 24.73316 64.85761       114.2301 143.2732       128.7122 -225.9665      247.8755 72.96172 27.33406 59.17894 28.63247 13.78278       39.58496 
1 1 1 17  1   23 o 133.9588 28.88508 548.1063       179.5430 407.4113       245.2219 710.6763       263.5969 104.9806 38.00088 140.8418 38.19257 -35.86118      53.87707 
1 1 1 17  1   24 o 67.77474 27.33542 112.5066       136.4368 342.1955       258.6834 23.98746       160.5895 94.94888 37.86327 60.97830 27.18403 33.97058       46.61115 
1 1 1 17  1   25 o 53.84278 24.58228 -16.81690      140.7261 -185.1084      272.9939 44.08775       164.2279 60.90508 29.60312 62.12002 27.60386 -1.214939      40.47614 
1 1 1 17  1   26 o 48.46229 23.06132 -96.18100      146.4322 92.62776       296.1484 -157.2800      168.4672 73.22660 34.20612 48.60471 23.53754 24.62189       41.52198 
1 1 1 17  2   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   11 o 118.4044 11.84545 344.7678       66.15524 0.000000       0.000000 344.7678       66.15524 ?        ?        118.4044 11.84545 0.000000       11.84545 
1 1 1 17  2   12 o 26.52130 11.00499 4.532717       22.91051 0.000000       0.000000 4.532717       22.91051 ?        ?        26.52130 11.00499 0.000000       11.00499 
1 1 1 17  2   13 f 100.1713 9.704570 245.4157       45.89438 0.000000       0.000000 245.4157       45.89438 ?        ?        100.1713 9.704570 0.000000       9.704570 
1 1 1 17  2   14 o 38.04301 13.80174 29.91983       32.37120 0.000000       0.000000 29.91983       32.37120 ?        ?        38.04301 13.80174 0.000000       13.80174 
1 1 1 17  2   15 f 63.03804 18.37351 102.4497       58.75295 101.7394       72.80386 103.7760       99.48903 63.65961 20.79651 66.78777 24.20077 -3.128166      31.90881 
1 1 1 17  2   16 o 75.83270 18.46471 150.6263       66.30865 136.9466       81.68054 177.0662       113.5560 72.21992 21.82024 81.35634 25.92037 -9.136421      33.88198 
1 1 1 17  2   17 o 81.04646 20.91374 174.9804       81.57674 31.62473       107.0140 373.8445       126.0409 56.43209 23.62847 118.1130 23.14862 -61.68095      33.07814 
1 1 1 17  2   18 o 89.68288 17.50804 208.7132       72.37323 358.2039       112.3372 102.6391       94.62838 116.5452 20.93062 65.68224 23.62848 50.86299       31.56574 
1 1 1 17  2   19 o 68.04535 23.55431 116.3375       93.33321 118.3232       119.1296 113.1815       150.1880 70.78224 26.34083 73.32106 28.97498 -2.538818      39.15851 
1 1 1 17  2   20 o 202.7277 14.29976 1027.792       137.7066 894.5218       163.3811 1354.715       255.8934 186.2579 18.59588 224.1376 24.26668 -37.87973      30.57252 
1 1 1 17  2   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2   22 o 102.8796 26.99516 310.2716       134.4160 536.1177       210.8169 155.5668       174.4822 129.8223 33.68145 78.38301 31.14902 51.43924       45.87703 
1 1 1 17  2   23 o 51.96637 23.84230 -47.09067      134.5535 115.7067       224.5204 -138.3276      168.0806 77.03218 33.29377 51.81084 24.66959 25.22134       41.43747 
1 1 1 17  2   24 o 62.97987 26.97906 55.47327       144.9446 62.46542       250.8487 51.96870       177.5920 74.33884 33.49120 66.57184 29.17785 7.767006       44.41855 
1 1 1 17  2   25 o 64.37108 27.27494 74.13836       145.3222 143.0943       164.8224 -166.6490      307.9976 73.84173 29.94996 66.72385 32.19284 7.117882       43.97021 
1 1 1 17  2   26 o 81.54443 30.03489 216.4783       154.1728 207.1525       175.7592 247.6029       321.0879 80.11793 31.44122 85.12297 38.15756 -5.005043      49.44239 
1 1 1 17  2   27 o 133.7063 24.35909 538.1554       149.9767 642.2437       206.9365 422.9911       217.6683 135.5210 32.38237 102.1596 35.93034 33.36142       48.36949 
1 1 1 17  3   0  o 265.3631 7.848114 1697.197       99.45731 0.000000       0.000000 1697.197       99.45731 ?        ?        265.3631 7.848114 0.000000       7.848114 
1 1 1 17  3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3   8  o 191.1483 11.40065 889.6616       103.7124 0.000000       0.000000 889.6616       103.7124 ?        ?        191.1483 11.40065 0.000000       11.40065 
1 1 1 17  3   9  o 136.6171 8.429338 451.5615       54.78817 0.000000       0.000000 451.5615       54.78817 ?        ?        136.6171 8.429338 0.000000       8.429338 
1 1 1 17  3   10 o 24.20891 10.62848 -5.757503      23.65424 0.000000       0.000000 -5.757503      23.65424 ?        ?        24.20891 10.62848 0.000000       10.62848 
1 1 1 17  3   11 o 45.51260 13.67117 51.21587       32.13122 0.000000       0.000000 51.21587       32.13122 ?        ?        45.51260 13.67117 0.000000       13.67117 
1 1 1 17  3   12 o 80.76540 10.76877 160.8534       40.54621 0.000000       0.000000 160.8534       40.54621 ?        ?        80.76540 10.76877 0.000000       10.76877 
1 1 1 17  3   13 o 202.9334 8.372485 995.0817       81.05550 0.000000       0.000000 995.0817       81.05550 ?        ?        202.9334 8.372485 0.000000       8.372485 
1 1 1 17  3   14 o 81.89145 12.58104 167.3151       47.68335 0.000000       0.000000 167.3151       47.68335 ?        ?        81.89145 12.58104 0.000000       12.58104 
1 1 1 17  3   15 o 146.6408 11.90783 527.9413       82.76476 673.0947       117.4024 384.5320       116.6949 164.4505 15.10098 121.6265 20.81649 42.82401       25.71703 
1 1 1 17  3   16 o 87.49945 19.10833 199.8472       77.69035 220.6794       91.91324 147.7220       145.3897 91.26358 21.43323 78.70570 29.13518 12.55788       36.16963 
1 1 1 17  3   17 o 67.80634 22.44698 116.0611       84.71037 168.8259       101.6790 -3.654032      153.1559 79.66366 24.40158 61.51721 27.02520 18.14645       36.41151 
1 1 1 17  3   18 o 119.4571 15.37709 359.6230       85.78546 381.0125       124.0803 340.0370       118.7341 119.7596 22.49709 112.8394 22.79491 6.920250       32.02697 
1 1 1 17  3   19 o 79.54852 20.26503 167.9811       77.27486 157.4694       85.68871 213.7598       178.8212 76.82819 22.12903 89.35159 32.43550 -12.52339      39.26520 
1 1 1 17  3   20 o 86.66135 34.55588 176.0442       215.4490 176.0442       215.4490 0.000000       0.000000 86.66135 34.55588 ?        ?        0.000000       34.55588 
1 1 1 17  3   21 o 181.1053 22.55768 870.7059       191.0922 848.8641       238.2469 910.1017       319.9689 172.6369 29.95136 167.9145 40.35916 4.722382       50.25879 
1 1 1 17  3   22 o 89.72453 27.60540 230.5897       129.9521 303.6426       142.5259 -129.4940      316.4293 102.1975 28.23494 73.55580 34.67367 28.64175       44.71549 
1 1 1 17  3   23 f 77.11442 29.61119 154.0243       153.3093 183.7205       248.5989 135.7995       194.7517 85.92429 35.99773 77.95201 32.19168 7.972275       48.29225 
1 1 1 17  3   24 o 85.19644 29.76038 216.8796       149.1658 313.8529       169.7403 -111.9720      312.5782 99.51812 31.68861 71.46525 33.91718 28.05287       46.41705 
1 1 1 17  3   25 o 105.8589 29.17350 347.0890       152.3720 526.8244       270.4594 263.5145       184.4259 117.6292 40.11826 90.61307 32.93314 27.01616       51.90440 
1 1 1 17  3   26 o 51.17562 25.05208 -262.3792      205.6799 -92.96709      282.5454 -453.3541      299.9881 67.64154 32.14398 56.86182 28.27430 10.77972       42.80971 
1 1 1 17  3   27 o 102.5579 36.66978 411.6003       227.5323 565.7314       308.3574 227.3726       337.1216 110.5090 42.10355 84.39467 38.34303 26.11430       56.94644 
1 1 1 17  3   28 f 63.46360 28.18853 61.21994       171.0696 -429.1541      318.8184 259.4879       202.7243 56.93658 28.44334 83.94108 33.50369 -27.00450      43.94907 
1 1 1 17  4   0  o 258.0652 8.447911 1606.451       104.0882 0.000000       0.000000 1606.451       104.0882 ?        ?        258.0652 8.447911 0.000000       8.447911 
1 1 1 17  4   1  f 121.5502 11.65211 361.6239       66.88427 0.000000       0.000000 361.6239       66.88427 ?        ?        121.5502 11.65211 0.000000       11.65211 
1 1 1 17  4   2  o 45.03849 18.10732 25.65768       59.66043 0.000000       0.000000 25.65768       59.66043 ?        ?        45.03849 18.10732 0.000000       18.10732 
1 1 1 17  4   3  o 56.32548 17.02600 79.09959       49.72242 0.000000       0.000000 79.09959       49.72242 ?        ?        56.32548 17.02600 0.000000       17.02600 
1 1 1 17  4   4  o 140.0333 9.532784 475.5903       63.43988 0.000000       0.000000 475.5903       63.43988 ?        ?        140.0333 9.532784 0.000000       9.532784 
1 1 1 17  4   5  o 66.99333 16.75902 114.8419       53.53771 0.000000       0.000000 114.8419       53.53771 ?        ?        66.99333 16.75902 0.000000       16.75902 
1 1 1 17  4   6  o 179.3115 8.672606 776.7839       74.12699 0.000000       0.000000 776.7839       74.12699 ?        ?        179.3115 8.672606 0.000000       8.672606 
1 1 1 17  4   7  o 67.43787 14.85915 115.5360       46.61304 0.000000       0.000000 115.5360       46.61304 ?        ?        67.43787 14.85915 0.000000       14.85915 
1 1 1 17  4   8  o 164.4558 8.986604 654.2453       70.38815 0.000000       0.000000 654.2453       70.38815 ?        ?        164.4558 8.986604 0.000000       8.986604 
1 1 1 17  4   9  o 111.6375 10.35873 303.9966       54.65660 0.000000       0.000000 303.9966       54.65660 ?        ?        111.6375 10.35873 0.000000       10.35873 
1 1 1 17  4   10 o 211.9530 15.36580 1107.797       154.6479 0.000000       0.000000 1107.797       154.6479 ?        ?        211.9530 15.36580 0.000000       15.36580 
1 1 1 17  4   11 o 62.60764 14.57369 99.67897       42.80221 0.000000       0.000000 99.67897       42.80221 ?        ?        62.60764 14.57369 0.000000       14.57369 
1 1 1 17  4   12 o 256.1076 8.317103 1582.212       101.7013 0.000000       0.000000 1582.212       101.7013 ?        ?        256.1076 8.317103 0.000000       8.317103 
1 1 1 17  4   13 o 204.2693 8.978331 1008.911       87.46713 0.000000       0.000000 1008.911       87.46713 ?        ?        204.2693 8.978331 0.000000       8.978331 
1 1 1 17  4   14 o 118.9854 10.52952 345.6181       59.28012 0.000000       0.000000 345.6181       59.28012 ?        ?        118.9854 10.52952 0.000000       10.52952 
1 1 1 17  4   15 o 161.8821 11.62236 640.4943       89.35146 737.9719       115.9299 497.8586       140.2353 172.9422 14.14469 138.7119 21.86997 34.23027       26.04550 
1 1 1 17  4   16 o 115.6043 14.76720 333.8958       79.75608 327.8161       103.9545 342.5952       124.3502 112.5847 20.04833 113.6215 23.66143 -1.036842      31.01288 
1 1 1 17  4   17 o 100.8023 17.76204 260.6730       82.47338 134.3037       110.7274 418.1366       123.6016 73.66772 25.64677 126.7470 21.14183 -53.07927      33.23754 
1 1 1 17  4   18 o 60.10072 23.75922 62.69885       101.0178 94.92264       117.9165 -26.18128      195.8342 67.70673 25.97673 66.83074 29.89046 0.8759918      39.60088 
1 1 1 17  4   19 o 114.0135 30.24499 369.6040       167.5498 397.4288       191.6630 279.4233       345.0476 116.8178 32.91628 104.4611 42.96448 12.35674       54.12419 
1 1 1 17  4   20 o 134.8080 22.78496 482.5008       141.6217 501.1691       154.5868 385.0034       353.2775 136.3593 24.61831 112.3314 44.42388 24.02792       50.78919 
1 1 1 17  4   21 o 204.9412 15.93986 1055.027       154.9515 1052.912       196.6658 1058.487       251.6212 201.4670 20.71291 196.3835 27.55718 5.083496       34.47351 
1 1 1 17  4   22 o 103.5521 34.43542 321.4600       199.2997 211.1299       241.1134 559.4330       354.1101 91.27623 36.50254 125.7267 45.64312 -34.45051      58.44425 
1 1 1 17  4   23 o 163.9014 27.70317 758.7390       209.3524 703.0941       255.6514 872.0190       364.7641 149.4933 36.16676 153.9574 46.02017 -4.464066      58.53111 
1 1 1 17  4   24 f 73.55150 29.95301 117.2815       165.6400 -77.59525      260.8779 248.9080       214.4021 69.05733 32.20761 91.25327 35.02339 -22.19594      47.58118 
1 1 1 17  4   25 o 67.43903 27.25158 97.68023       135.8859 47.75953       145.8384 426.4365       374.2558 62.82739 26.99050 104.7081 44.03657 -41.88067      51.64985 
1 1 1 17  4   26 o 49.30662 22.88251 -64.25040      129.1537 -233.6579      157.3424 285.6566       226.1287 44.73223 21.90069 92.64236 35.85958 -47.91013      42.01845 
1 1 1 17  4   27 o 48.58807 22.84797 -86.07632      135.9010 -152.4435      166.0411 48.61201       236.5397 49.93261 23.97492 71.13039 32.23782 -21.19778      40.17553 
1 1 1 17  4   28 f 60.43139 27.35405 14.04769       169.6529 -145.3025      185.9806 803.9021       414.0616 52.57669 25.27789 117.4745 47.53446 -64.89783      53.83768 
1 1 1 17  4   29 o 65.53352 29.04412 77.99364       180.6233 278.8772       254.2768 -126.6082      256.6193 84.39134 35.93042 60.55731 29.25888 23.83403       46.33657 
1 1 1 17  5   0  o 159.3560 11.16557 618.1024       84.52808 0.000000       0.000000 618.1024       84.52808 ?        ?        159.3560 11.16557 0.000000       11.16557 
1 1 1 17  5   1  o 284.6342 8.211395 1952.360       111.6241 0.000000       0.000000 1952.360       111.6241 ?        ?        284.6342 8.211395 0.000000       8.211395 
1 1 1 17  5   2  o 279.8520 8.278557 1887.604       110.6404 0.000000       0.000000 1887.604       110.6404 ?        ?        279.8520 8.278557 0.000000       8.278557 
1 1 1 17  5   3  o 170.0620 10.23761 701.6039       82.85114 0.000000       0.000000 701.6039       82.85114 ?        ?        170.0620 10.23761 0.000000       10.23761 
1 1 1 17  5   4  o 36.43295 15.61431 -0.7435167     48.59252 0.000000       0.000000 -0.7435167     48.59252 ?        ?        36.43295 15.61431 0.000000       15.61431 
1 1 1 17  5   5  f 174.3395 9.026848 734.8584       74.98229 0.000000       0.000000 734.8584       74.98229 ?        ?        174.3395 9.026848 0.000000       9.026848 
1 1 1 17  5   6  o 102.2162 11.62602 256.5146       55.80610 0.000000       0.000000 256.5146       55.80610 ?        ?        102.2162 11.62602 0.000000       11.62602 
1 1 1 17  5   7  o 105.4442 11.49895 272.6386       57.02986 0.000000       0.000000 272.6386       57.02986 ?        ?        105.4442 11.49895 0.000000       11.49895 
1 1 1 17  5   8  o 148.0543 9.652818 531.4926       67.95308 0.000000       0.000000 531.4926       67.95308 ?        ?        148.0543 9.652818 0.000000       9.652818 
1 1 1 17  5   9  o 169.6093 9.217002 696.0750       74.45824 0.000000       0.000000 696.0750       74.45824 ?        ?        169.6093 9.217002 0.000000       9.217002 
1 1 1 17  5   10 o 88.24670 12.05439 192.4561       49.52911 0.000000       0.000000 192.4561       49.52911 ?        ?        88.24670 12.05439 0.000000       12.05439 
1 1 1 17  5   11 o 96.45551 11.39771 228.5982       51.54561 0.000000       0.000000 228.5982       51.54561 ?        ?        96.45551 11.39771 0.000000       11.39771 
1 1 1 17  5   12 o 104.7128 10.93849 268.3801       53.95353 0.000000       0.000000 268.3801       53.95353 ?        ?        104.7128 10.93849 0.000000       10.93849 
1 1 1 17  5   13 o 101.7264 10.94853 253.4981       52.41000 0.000000       0.000000 253.4981       52.41000 ?        ?        101.7264 10.94853 0.000000       10.94853 
1 1 1 17  5   14 o 145.7946 28.72035 571.3734       193.0640 0.000000       0.000000 571.3734       193.0640 ?        ?        145.7946 28.72035 0.000000       28.72035 
1 1 1 17  5   15 o 95.93641 14.48235 230.1609       64.35811 161.4394       75.16855 418.8728       124.5630 78.83689 19.93460 127.5666 21.16562 -48.72967      29.07528 
1 1 1 17  5   16 o 147.0217 13.95431 533.7219       96.90968 579.7510       108.2230 347.4523       217.7081 152.9148 14.99603 111.0727 35.93917 41.84212       38.94233 
1 1 1 17  5   17 o 66.35279 24.69484 94.84269       104.7112 144.8989       131.7625 9.045613       172.5040 77.65184 27.88836 66.68551 29.00044 10.96633       40.23414 
1 1 1 17  5   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  5   19 o 117.0774 26.21392 373.5945       143.0686 207.6445       198.9218 551.4240       205.9186 90.60265 33.97308 139.4231 31.62229 -48.82044      46.41270 
1 1 1 17  5   20 o 64.10575 27.15872 37.68161       144.0526 80.96736       208.1583 -2.100534      199.5562 77.42377 32.71674 69.08461 30.57766 8.339157       44.78145 
1 1 1 17  5   21 o 66.02454 28.51481 26.80552       164.4476 3.690650       232.3895 49.98996       232.7390 73.65655 32.77697 77.22195 33.63256 -3.565399      46.96253 
1 1 1 17  5   22 o 129.9306 29.84761 481.4401       181.5023 533.5723       252.7798 425.9589       260.7729 130.4917 38.13255 116.3115 39.39723 14.18027       54.82912 
1 1 1 17  5   23 o 96.87140 27.29718 265.2684       131.8080 266.1848       154.0274 262.7616       254.7511 96.15683 30.13096 96.99317 37.91497 -0.8363419     48.42954 
1 1 1 17  5   24 o 73.35976 32.37936 41.43492       222.2680 121.5970       259.7108 -178.0112      429.7038 83.09121 35.85982 81.54367 38.99662 1.547539       52.97795 
1 1 1 17  5   25 o 75.37456 33.22640 69.48696       233.3475 232.6023       277.5122 -324.1761      431.1187 91.18015 38.10484 75.17362 36.68570 16.00653       52.89442 
1 1 1 17  5   26 o 68.86549 31.53871 -9.121181      234.0173 32.06931       277.0328 -111.7346      437.2549 75.40981 34.45236 80.36565 38.66925 -4.955833      51.79069 
1 1 1 17  5   27 o 71.06870 30.75771 86.80441       192.1339 389.0024       277.2460 -192.4396      266.5087 101.6919 39.61047 62.41358 30.07134 39.27834       49.73203 
1 1 1 17  5   28 o 89.59276 33.96221 274.7364       200.0132 49.63100       298.6949 457.7234       269.3053 75.19221 34.86219 106.3231 39.59705 -31.13087      52.75697 
1 1 1 17  5   29 o 79.22601 34.95351 188.3743       258.7484 50.93009       315.3976 471.2953       452.5096 73.72457 34.71123 94.36616 43.45178 -20.64159      55.61409 
1 1 1 17  5   30 o 108.7653 30.80288 416.2443       167.4063 424.8133       208.5574 400.7223       280.6944 102.6489 35.22331 92.80433 38.51565 9.844543       52.19327 
1 1 1 17  6   0  o 223.8689 10.48162 1214.484       111.8724 0.000000       0.000000 1214.484       111.8724 ?        ?        223.8689 10.48162 0.000000       10.48162 
1 1 1 17  6   1  o 141.0048 12.23788 486.2159       81.68282 0.000000       0.000000 486.2159       81.68282 ?        ?        141.0048 12.23788 0.000000       12.23788 
1 1 1 17  6   2  o 62.60886 18.84475 98.44453       61.00609 0.000000       0.000000 98.44453       61.00609 ?        ?        62.60886 18.84475 0.000000       18.84475 
1 1 1 17  6   3  o 83.05090 15.20469 173.7883       58.14722 0.000000       0.000000 173.7883       58.14722 ?        ?        83.05090 15.20469 0.000000       15.20469 
1 1 1 17  6   4  o 361.1417 9.452790 3148.919       163.0694 0.000000       0.000000 3148.919       163.0694 ?        ?        361.1417 9.452790 0.000000       9.452790 
1 1 1 17  6   5  o 188.1068 9.514636 855.9536       85.28884 0.000000       0.000000 855.9536       85.28884 ?        ?        188.1068 9.514636 0.000000       9.514636 
1 1 1 17  6   6  o 80.00056 13.51090 159.9364       49.83718 0.000000       0.000000 159.9364       49.83718 ?        ?        80.00056 13.51090 0.000000       13.51090 
1 1 1 17  6   7  o 143.9680 10.08709 503.1302       68.98956 0.000000       0.000000 503.1302       68.98956 ?        ?        143.9680 10.08709 0.000000       10.08709 
1 1 1 17  6   8  o 203.9663 9.120094 1005.188       88.70872 0.000000       0.000000 1005.188       88.70872 ?        ?        203.9663 9.120094 0.000000       9.120094 
1 1 1 17  6   9  o 81.66891 13.67015 166.7371       51.49028 0.000000       0.000000 166.7371       51.49028 ?        ?        81.66891 13.67015 0.000000       13.67015 
1 1 1 17  6   10 o 369.2159 9.196896 3288.413       162.3417 0.000000       0.000000 3288.413       162.3417 ?        ?        369.2159 9.196896 0.000000       9.196896 
1 1 1 17  6   11 o 106.4316 11.62901 277.8806       58.21096 0.000000       0.000000 277.8806       58.21096 ?        ?        106.4316 11.62901 0.000000       11.62901 
1 1 1 17  6   12 o 23.10211 10.94738 -38.35788      32.32281 0.000000       0.000000 -38.35788      32.32281 ?        ?        23.10211 10.94738 0.000000       10.94738 
1 1 1 17  6   13 o 171.2772 10.38649 712.1592       84.65073 0.000000       0.000000 712.1592       84.65073 ?        ?        171.2772 10.38649 0.000000       10.38649 
1 1 1 17  6   14 o 108.2234 13.24327 289.4402       67.09511 0.000000       0.000000 289.4402       67.09511 ?        ?        108.2234 13.24327 0.000000       13.24327 
1 1 1 17  6   15 o 130.0254 9.745513 410.7642       60.14088 492.8185       121.1007 383.9020       69.28922 139.7629 18.58379 125.2243 11.70938 14.53859       21.96513 
1 1 1 17  6   16 o 165.3275 16.40343 680.1219       127.9468 723.6109       148.7025 556.1363       251.0810 169.6352 18.64242 139.0056 37.09302 30.62958       41.51424 
1 1 1 17  6   17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  6   18 o 120.9813 23.45765 385.8024       130.7804 410.9894       159.6105 334.3467       228.1338 122.8761 27.81930 108.8213 36.84938 14.05485       46.17132 
1 1 1 17  6   19 o 244.5375 14.98242 1481.234       174.3196 1487.581       217.2287 1469.753       292.1433 242.6080 18.87698 235.2278 26.43457 7.380234       32.48272 
1 1 1 17  6   20 o 99.82074 33.27915 279.8750       186.1161 221.0331       211.8509 478.8904       389.6101 92.93668 35.01460 122.6636 47.17828 -29.72689      58.75212 
1 1 1 17  6   21 o 90.51859 33.82920 211.7075       196.9035 147.7377       230.2266 385.9590       379.9761 85.94729 35.19426 113.8823 45.72773 -27.93506      57.70322 
1 1 1 17  6   22 o 52.39066 23.98931 -63.92639      135.3114 -82.56992      145.5305 55.01158       367.5787 53.04216 24.50168 90.28706 40.62047 -37.24489      47.43790 
1 1 1 17  6   23 o 170.8844 28.55071 812.9738       225.0299 816.0328       275.7927 806.8806       389.2318 164.4448 36.07368 149.5433 48.02496 14.90150       60.06419 
1 1 1 17  6   24 o 76.24486 29.69417 134.1127       155.7893 134.1127       155.7893 0.000000       0.000000 76.24486 29.69417 ?        ?        0.000000       29.69417 
1 1 1 17  6   25 o 84.76585 30.58316 202.3244       158.6689 146.2104       170.1580 576.2635       439.2558 77.90954 30.82456 119.0711 48.66858 -41.16152      57.60889 
1 1 1 17  6   26 o 83.03635 31.09486 196.8718       166.5293 145.7695       177.2690 580.6910       485.8202 77.23910 31.15642 113.7304 49.06404 -36.49129      58.12059 
1 1 1 17  6   27 o 97.82980 32.57228 310.3104       178.3051 130.8764       189.9061 1645.800       518.0919 75.57253 31.54747 186.5069 54.61705 -110.9344      63.07349 
1 1 1 17  6   28 o 68.51345 28.75850 95.32091       159.1322 131.0772       167.5073 -235.6634      509.6371 73.15082 29.99458 78.71970 38.71710 -5.568886      48.97641 
1 1 1 17  6   29 o 73.27050 29.37260 150.6232       156.5085 27.58145       182.6998 489.8611       303.3639 63.39932 28.57068 104.8425 41.25764 -41.44318      50.18443 
1 1 1 17  6   30 o 58.06533 26.42887 7.029173       161.0772 -4.519121      192.0296 34.44402       295.8708 60.75768 28.09375 70.94100 33.46773 -10.18333      43.69609 
1 1 1 17  7   0  o 256.0370 10.02229 1585.638       122.4443 0.000000       0.000000 1585.638       122.4443 ?        ?        256.0370 10.02229 0.000000       10.02229 
1 1 1 17  7   1  o 233.4994 9.904565 1318.739       110.3169 0.000000       0.000000 1318.739       110.3169 ?        ?        233.4994 9.904565 0.000000       9.904565 
1 1 1 17  7   2  o 66.66280 19.17895 112.9434       64.39981 0.000000       0.000000 112.9434       64.39981 ?        ?        66.66280 19.17895 0.000000       19.17895 
1 1 1 17  7   3  o 203.7438 9.485752 1003.490       92.14479 0.000000       0.000000 1003.490       92.14479 ?        ?        203.7438 9.485752 0.000000       9.485752 
1 1 1 17  7   4  o 254.5380 8.635219 1562.207       104.9313 0.000000       0.000000 1562.207       104.9313 ?        ?        254.5380 8.635219 0.000000       8.635219 
1 1 1 17  7   5  o 199.4154 10.61105 964.0491       100.7997 0.000000       0.000000 964.0491       100.7997 ?        ?        199.4154 10.61105 0.000000       10.61105 
1 1 1 17  7   6  o 171.6877 9.356065 712.9275       76.50619 0.000000       0.000000 712.9275       76.50619 ?        ?        171.6877 9.356065 0.000000       9.356065 
1 1 1 17  7   7  o 201.1579 9.147164 977.4900       87.73929 0.000000       0.000000 977.4900       87.73929 ?        ?        201.1579 9.147164 0.000000       9.147164 
1 1 1 17  7   8  o 81.24229 13.52533 164.7871       50.68761 0.000000       0.000000 164.7871       50.68761 ?        ?        81.24229 13.52533 0.000000       13.52533 
1 1 1 17  7   9  o 74.33003 15.35683 140.0014       52.76620 0.000000       0.000000 140.0014       52.76620 ?        ?        74.33003 15.35683 0.000000       15.35683 
1 1 1 17  7   10 o 58.40900 16.42482 86.23706       47.77231 0.000000       0.000000 86.23706       47.77231 ?        ?        58.40900 16.42482 0.000000       16.42482 
1 1 1 17  7   11 o 265.8679 8.907008 1705.837       113.0557 0.000000       0.000000 1705.837       113.0557 ?        ?        265.8679 8.907008 0.000000       8.907008 
1 1 1 17  7   12 f 123.5755 10.70661 372.2114       62.63116 0.000000       0.000000 372.2114       62.63116 ?        ?        123.5755 10.70661 0.000000       10.70661 
1 1 1 17  7   13 o 97.02496 13.98546 234.2125       63.00276 0.000000       0.000000 234.2125       63.00276 ?        ?        97.02496 13.98546 0.000000       13.98546 
1 1 1 17  7   14 o 233.8505 10.56050 1325.912       117.7631 0.000000       0.000000 1325.912       117.7631 ?        ?        233.8505 10.56050 0.000000       10.56050 
1 1 1 17  7   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  7   16 o 139.2876 19.73932 492.6533       127.7698 496.2935       162.2559 486.7116       207.2947 137.1979 25.68050 132.3123 32.90732 4.885574       41.74183 
1 1 1 17  7   17 o 154.6974 16.48879 596.5079       120.0721 621.5776       129.4484 442.0192       321.3441 157.5582 17.47861 123.2866 43.63050 34.27164       47.00130 
1 1 1 17  7   18 o 177.2141 16.44635 782.2449       137.7503 887.4274       177.2400 621.7924       218.9089 187.0364 20.13803 150.0393 31.52143 36.99712       37.40509 
1 1 1 17  7   19 o 101.1654 28.58365 280.8040       144.3252 208.0304       170.7121 463.1548       270.2287 89.81688 31.79932 124.3155 40.02425 -34.49866      51.11885 
1 1 1 17  7   20 f 135.6071 20.91764 476.6830       131.2575 433.9717       149.5697 619.7739       273.7650 126.9605 25.52739 142.8420 39.00026 -15.88152      46.61189 
1 1 1 17  7   21 o 58.07862 24.95758 14.11053       124.7639 68.33757       130.1302 -603.0043      438.9884 65.67313 26.62105 73.26120 36.01280 -7.588074      44.78395 
1 1 1 17  7   22 o 96.07559 35.44254 252.2926       214.8289 203.5321       248.6548 395.8317       426.6261 92.50022 37.04292 114.9884 47.58140 -22.48816      60.30064 
1 1 1 17  7   23 o 243.7484 16.90624 1497.524       195.7932 1541.929       244.8387 1418.754       326.0920 243.8138 21.21558 224.0567 31.29459 19.75708       37.80809 
1 1 1 17  7   24 o 128.4944 32.54552 488.6234       200.1187 481.4959       284.5174 495.6020       281.5274 121.1054 41.15041 122.9024 40.92879 -1.796982      58.03897 
1 1 1 17  7   25 o 58.05672 27.05324 -100.2240      183.4134 -357.9682      279.5635 94.55465       243.0282 60.29175 29.44891 79.92368 34.59120 -19.63192      45.42895 
1 1 1 17  7   26 o 199.3804 18.92965 1039.918       178.2785 1261.699       225.5914 671.0243       290.9449 216.4728 22.10776 137.3489 41.11110 79.12392       46.67843 
1 1 1 17  7   27 o 117.2048 28.36037 412.5484       157.1780 403.7957       192.1732 430.2353       273.1805 111.1990 33.44120 108.0941 39.95098 3.104904       52.09985 
1 1 1 17  7   28 o 62.85750 27.37085 42.91743       154.0776 108.4278       188.1113 -90.62331      268.5757 72.77953 30.94240 67.25343 31.77599 5.526100       44.35252 
1 1 1 17  7   29 o 79.13769 33.80348 168.3963       226.3638 356.2274       315.7121 -30.32074      324.7319 95.17391 40.25830 73.22437 34.69888 21.94955       53.14831 
1 1 1 17  7   30 o 72.68725 32.37580 115.7307       227.2785 186.5488       308.1825 31.28787       336.5251 80.37257 36.57221 73.92220 35.11474 6.450371       50.70081 
1 1 1 17  7   31 f 72.27036 29.94632 159.1378       169.3121 160.9966       195.5436 153.5702       338.4226 73.22078 31.35050 76.88085 36.12178 -3.660072      47.82925 
1 1 1 17  8   0  o 69.57140 19.62564 123.6115       68.09425 0.000000       0.000000 123.6115       68.09425 ?        ?        69.57140 19.62564 0.000000       19.62564 
1 1 1 17  8   1  o 130.2412 13.57986 417.1870       83.31682 0.000000       0.000000 417.1870       83.31682 ?        ?        130.2412 13.57986 0.000000       13.57986 
1 1 1 17  8   2  o 115.0478 13.54891 326.3671       73.09580 0.000000       0.000000 326.3671       73.09580 ?        ?        115.0478 13.54891 0.000000       13.54891 
1 1 1 17  8   3  o 207.3625 10.16892 1040.830       100.5048 0.000000       0.000000 1040.830       100.5048 ?        ?        207.3625 10.16892 0.000000       10.16892 
1 1 1 17  8   4  o 139.9421 11.96843 478.0735       79.30649 0.000000       0.000000 478.0735       79.30649 ?        ?        139.9421 11.96843 0.000000       11.96843 
1 1 1 17  8   5  o 283.4211 8.521878 1935.671       115.3406 0.000000       0.000000 1935.671       115.3406 ?        ?        283.4211 8.521878 0.000000       8.521878 
1 1 1 17  8   6  o 49.68723 18.14265 50.57953       56.06266 0.000000       0.000000 50.57953       56.06266 ?        ?        49.68723 18.14265 0.000000       18.14265 
1 1 1 17  8   7  o 106.4404 12.56419 278.6923       62.70579 0.000000       0.000000 278.6923       62.70579 ?        ?        106.4404 12.56419 0.000000       12.56419 
1 1 1 17  8   8  o 289.2149 8.755499 2016.661       120.9232 0.000000       0.000000 2016.661       120.9232 ?        ?        289.2149 8.755499 0.000000       8.755499 
1 1 1 17  8   9  o 328.0878 8.686858 2594.568       136.1378 0.000000       0.000000 2594.568       136.1378 ?        ?        328.0878 8.686858 0.000000       8.686858 
1 1 1 17  8   10 o 431.4591 9.711974 4493.077       200.3344 0.000000       0.000000 4493.077       200.3344 ?        ?        431.4591 9.711974 0.000000       9.711974 
1 1 1 17  8   11 f 278.8111 14.46361 1903.511       192.1357 0.000000       0.000000 1903.511       192.1357 ?        ?        278.8111 14.46361 0.000000       14.46361 
1 1 1 17  8   12 o 103.7805 15.46513 269.2535       74.39254 0.000000       0.000000 269.2535       74.39254 ?        ?        103.7805 15.46513 0.000000       15.46513 
1 1 1 17  8   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  8   14 o 228.0188 12.32551 1266.896       133.8648 0.000000       0.000000 1266.896       133.8648 ?        ?        228.0188 12.32551 0.000000       12.32551 
1 1 1 17  8   15 o 359.3831 7.858465 3108.379       135.0218 3566.975       235.2847 2883.196       164.8719 382.6070 12.88107 345.2612 9.998809 37.34576       16.30639 
1 1 1 17  8   16 o 122.1122 19.41228 379.3700       109.5407 417.7675       121.2264 208.5158       255.7164 127.8368 20.52988 97.12325 37.98064 30.71355       43.17412 
1 1 1 17  8   17 o 261.8557 16.58013 1697.451       206.5013 1837.496       232.0230 1163.858       452.8992 271.6810 17.96420 191.9808 49.14166 79.70016       52.32222 
1 1 1 17  8   18 o 89.37363 22.96755 210.6116       98.66278 270.9930       106.3431 -162.6957      264.4179 101.6118 22.48615 69.71111 32.48346 31.90072       39.50699 
1 1 1 17  8   19 o 115.2650 19.66714 341.4944       104.4936 400.8629       120.1158 156.7524       211.8873 124.5705 20.90872 86.87392 34.38901 37.69661       40.24647 
1 1 1 17  8   20 o 109.6319 21.61111 315.3941       109.2434 427.9524       127.3781 2.352430       212.4258 128.1753 21.55043 71.93207 31.70568 56.24326       38.33629 
1 1 1 17  8   21 o 152.4764 29.65438 644.3177       208.3869 581.5351       238.6698 845.7000       427.4530 140.5349 35.51342 155.0558 50.37350 -14.52092      61.63353 
1 1 1 17  8   22 o 265.2099 16.74554 1763.705       211.2391 1803.453       257.7557 1682.405       368.6335 265.1646 20.49106 244.3326 32.35195 20.83208       38.29533 
1 1 1 17  8   23 o 81.27937 34.46664 99.69604       232.3720 169.2107       262.1584 -155.1243      501.9291 89.94643 37.26632 91.23616 43.20621 -1.289734      57.05748 
1 1 1 17  8   24 o 236.5700 19.82779 1441.056       222.1939 1441.130       246.7704 1440.739       510.7340 234.4109 22.28731 195.6774 53.20459 38.73347       57.68407 
1 1 1 17  8   25 o 166.8715 21.95453 738.5919       170.9071 777.4692       206.5668 654.2289       304.2904 167.5416 26.68281 138.4891 42.17278 29.05254       49.90506 
1 1 1 17  8   26 o 131.4857 34.27555 544.0003       217.6301 758.7769       304.5169 319.7785       311.1407 147.3489 41.48029 100.4309 40.99457 46.91800       58.31955 
1 1 1 17  8   27 o 112.7301 35.85159 428.0095       217.3226 431.3644       304.3598 424.5198       310.4108 107.6602 41.62156 106.8154 41.82375 0.8448029      59.00492 
1 1 1 17  8   28 o 75.74387 32.42857 119.4846       209.1970 568.0610       311.0747 -250.8872      282.6607 118.3325 42.80490 62.22245 30.21557 56.11004       52.39504 
1 1 1 17  8   29 o 108.7324 31.04881 384.6742       169.3916 424.8426       208.6346 306.9809       290.1592 109.6920 35.15402 92.70372 38.86774 16.98824       52.40712 
1 1 1 17  8   30 f 84.47115 31.41187 240.5022       169.3541 385.9767       209.0106 -37.56745      288.9692 101.0574 35.23282 68.70901 32.60968 32.34836       48.00774 
1 1 1 17  8   31 o 209.3945 20.18259 1233.744       199.5458 1187.405       245.9419 1323.015       341.3631 194.3150 27.21944 180.3168 40.58081 13.99815       48.86409 
1 1 1 17  9   0  o 84.94336 19.37509 185.5501       76.93565 0.000000       0.000000 185.5501       76.93565 ?        ?        84.94336 19.37509 0.000000       19.37509 
1 1 1 17  9   1  o 159.1974 12.93912 619.6777       97.63189 0.000000       0.000000 619.6777       97.63189 ?        ?        159.1974 12.93912 0.000000       12.93912 
1 1 1 17  9   2  o 120.7894 14.39179 360.5413       81.47705 0.000000       0.000000 360.5413       81.47705 ?        ?        120.7894 14.39179 0.000000       14.39179 
1 1 1 17  9   3  o 139.1305 24.53732 501.7543       157.2512 0.000000       0.000000 501.7543       157.2512 ?        ?        139.1305 24.53732 0.000000       24.53732 
1 1 1 17  9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  9   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  9   8  o 315.6938 20.37186 2488.928       305.8301 0.000000       0.000000 2488.928       305.8301 ?        ?        315.6938 20.37186 0.000000       20.37186 
1 1 1 17  9   9  o 342.2934 13.89674 2859.161       226.9426 0.000000       0.000000 2859.161       226.9426 ?        ?        342.2934 13.89674 0.000000       13.89674 
1 1 1 17  9   10 o 368.1300 9.269685 3269.692       163.0155 0.000000       0.000000 3269.692       163.0155 ?        ?        368.1300 9.269685 0.000000       9.269685 
1 1 1 17  9   11 o 356.6835 8.857387 3065.724       151.0417 0.000000       0.000000 3065.724       151.0417 ?        ?        356.6835 8.857387 0.000000       8.857387 
1 1 1 17  9   12 o 65.27713 19.14098 107.9211       63.59648 0.000000       0.000000 107.9211       63.59648 ?        ?        65.27713 19.14098 0.000000       19.14098 
1 1 1 17  9   13 o 177.2426 11.12455 763.6818       93.79139 0.000000       0.000000 763.6818       93.79139 ?        ?        177.2426 11.12455 0.000000       11.12455 
1 1 1 17  9   14 o 196.1740 10.22460 932.7216       95.56403 0.000000       0.000000 932.7216       95.56403 ?        ?        196.1740 10.22460 0.000000       10.22460 
1 1 1 17  9   15 o 331.3017 8.750846 2647.418       138.4847 2816.176       308.7965 2604.932       154.9392 336.0045 19.30415 328.2264 9.884953 7.778076       21.68785 
1 1 1 17  9   16 o 82.29895 13.54107 169.2410       51.42758 173.1648       109.7464 168.1369       58.21496 81.88879 25.39882 81.53255 15.50106 0.3562317      29.75538 
1 1 1 17  9   17 o 305.5512 14.51510 2290.327       211.4311 2261.580       275.0239 2331.867       330.6084 300.7493 19.22818 302.5613 23.02856 -1.812012      30.00063 
1 1 1 17  9   18 o 91.06069 23.60628 219.0756       103.6120 192.1946       107.2594 594.2757       400.7231 85.43137 24.80369 137.8834 48.72906 -52.45203      54.67856 
1 1 1 17  9   19 o 153.3779 17.43249 590.7497       125.5641 591.1589       139.3669 588.9856       289.3842 152.5072 19.56449 139.9573 40.77238 12.54990       45.22340 
1 1 1 17  9   20 o 86.10318 30.45323 189.2598       156.5320 291.2692       184.8847 -68.94682      294.1471 102.1686 33.12421 78.04834 35.59765 24.12030       48.62516 
1 1 1 17  9   21 o 88.76290 33.02979 197.5114       187.3083 142.3111       216.0179 364.7642       376.0154 84.76186 34.32070 113.5797 45.52910 -28.81780      57.01587 
1 1 1 17  9   22 o 278.5149 16.02066 1935.766       212.4226 2260.002       278.5803 1485.366       328.3363 297.8839 19.67129 231.7032 30.37043 66.18071       36.18457 
1 1 1 17  9   23 o 113.9135 25.29283 354.4765       134.1569 365.6978       163.2128 331.1023       235.5601 113.3559 29.74784 105.8806 37.36607 7.475311       47.76146 
1 1 1 17  9   24 o 230.0533 24.34657 1409.255       263.7192 1300.304       299.1191 1789.559       558.8474 215.6792 29.80442 220.2297 53.59283 -4.550507      61.32287 
1 1 1 17  9   25 o 101.8169 32.52520 307.2860       178.7065 315.5142       213.4072 287.9738       326.9443 102.2704 35.60487 101.3982 41.77564 0.8721924      54.88999 
1 1 1 17  9   26 o 174.8246 22.81702 825.1656       186.1619 931.2999       218.0396 539.7010       357.5886 183.2880 25.57813 119.4446 45.37993 63.84338       52.09203 
1 1 1 17  9   27 o 95.24827 31.36732 280.4739       165.4857 163.7303       196.5656 564.5960       306.6504 80.50091 32.68646 121.6547 42.65772 -41.15377      53.74091 
1 1 1 17  9   28 o 74.17166 29.71179 137.5338       160.0208 159.2498       185.7881 75.12755       314.9502 78.28494 31.78104 80.19795 36.67575 -1.913010      48.52983 
1 1 1 17  9   29 o 99.90717 32.09762 330.0124       173.8558 372.7248       204.8488 220.0188       328.7308 103.3340 34.91858 87.65524 38.99631 15.67873       52.34520 
1 1 1 17  9   30 o 75.09635 33.38319 124.2002       240.4331 632.8735       339.3964 -388.2511      340.6544 113.9730 43.98137 61.38980 30.45832 52.58317       53.49832 
1 1 1 17  9   31 o 184.4927 23.47065 1003.880       202.3403 1094.079       255.4951 852.1360       331.3894 181.8146 30.47023 130.8508 44.41149 50.96378       53.85922 
1 1 1 17  10  0  o 116.3245 15.27260 336.0403       82.88650 0.000000       0.000000 336.0403       82.88650 ?        ?        116.3245 15.27260 0.000000       15.27260 
1 1 1 17  10  1  o 341.9648 11.81837 2836.691       192.9274 0.000000       0.000000 2836.691       192.9274 ?        ?        341.9648 11.81837 0.000000       11.81837 
1 1 1 17  10  2  o 85.00567 21.71898 187.3401       88.57979 0.000000       0.000000 187.3401       88.57979 ?        ?        85.00567 21.71898 0.000000       21.71898 
1 1 1 17  10  3  o 49.18377 19.05003 40.23682       63.84765 0.000000       0.000000 40.23682       63.84765 ?        ?        49.18377 19.05003 0.000000       19.05003 
1 1 1 17  10  4  o 177.8328 11.77343 769.2961       99.53392 0.000000       0.000000 769.2961       99.53392 ?        ?        177.8328 11.77343 0.000000       11.77343 
1 1 1 17  10  5  f 320.1149 8.735857 2469.428       133.5714 0.000000       0.000000 2469.428       133.5714 ?        ?        320.1149 8.735857 0.000000       8.735857 
1 1 1 17  10  6  o 125.5400 12.39079 385.8712       73.39989 0.000000       0.000000 385.8712       73.39989 ?        ?        125.5400 12.39079 0.000000       12.39079 
1 1 1 17  10  7  o 213.1158 10.62322 1100.256       107.8968 0.000000       0.000000 1100.256       107.8968 ?        ?        213.1158 10.62322 0.000000       10.62322 
1 1 1 17  10  8  o 62.14626 15.78539 98.16167       46.98367 0.000000       0.000000 98.16167       46.98367 ?        ?        62.14626 15.78539 0.000000       15.78539 
1 1 1 17  10  9  o 59.94038 19.64173 86.51204       64.92033 0.000000       0.000000 86.51204       64.92033 ?        ?        59.94038 19.64173 0.000000       19.64173 
1 1 1 17  10  10 o 131.6350 13.36389 425.7113       82.93883 0.000000       0.000000 425.7113       82.93883 ?        ?        131.6350 13.36389 0.000000       13.36389 
1 1 1 17  10  11 o 202.2236 12.26257 996.0202       117.9984 0.000000       0.000000 996.0202       117.9984 ?        ?        202.2236 12.26257 0.000000       12.26257 
1 1 1 17  10  12 o 259.2932 9.758345 1625.249       120.7536 0.000000       0.000000 1625.249       120.7536 ?        ?        259.2932 9.758345 0.000000       9.758345 
1 1 1 17  10  13 o 65.18150 19.37344 107.3642       64.78722 0.000000       0.000000 107.3642       64.78722 ?        ?        65.18150 19.37344 0.000000       19.37344 
1 1 1 17  10  14 o 196.3455 12.66203 940.9673       118.2255 0.000000       0.000000 940.9673       118.2255 ?        ?        196.3455 12.66203 0.000000       12.66203 
1 1 1 17  10  15 o 181.8236 12.77922 807.9120       110.3795 0.000000       0.000000 807.9120       110.3795 ?        ?        181.8236 12.77922 0.000000       12.77922 
1 1 1 17  10  16 o 145.7279 11.47585 518.0324       79.30847 752.4854       190.4039 468.8174       87.23624 170.7695 23.98146 138.0828 13.38201 32.68665       27.46249 
1 1 1 17  10  17 o 40.39655 19.74530 -223.5539      126.3336 -88.94919      165.3019 -412.5905      195.8938 57.67892 26.44959 47.13808 23.33609 10.54084       35.27257 
1 1 1 17  10  18 o 184.9985 16.51050 850.6891       144.4951 890.3198       158.1606 650.6265       355.3573 188.7444 17.73514 144.8971 45.81591 43.84726       49.12874 
1 1 1 17  10  19 o 141.2805 17.65136 502.7745       116.6312 455.5288       134.2755 647.9446       235.3717 132.5828 21.95110 151.9800 33.31460 -19.39719      39.89628 
1 1 1 17  10  20 o 80.09961 30.23173 146.4332       158.0852 167.2115       187.0381 94.46638       295.7934 85.38631 32.72718 88.88115 38.31364 -3.494835      50.38853 
1 1 1 17  10  21 o 132.9085 22.21688 462.7823       136.1914 508.9402       141.3574 -134.3249      508.4194 139.6773 21.88658 94.58307 44.38686 45.09421       49.48955 
1 1 1 17  10  22 o 81.09858 32.15770 138.8494       185.5788 109.9042       229.5697 193.4336       315.2534 82.55661 34.59010 96.56035 40.50106 -14.00374      53.26172 
1 1 1 17  10  23 o 155.6565 20.77102 629.6450       150.7183 660.3806       183.1293 565.1192       265.3405 156.5783 25.32780 134.4698 39.00367 22.10854       46.50574 
1 1 1 17  10  24 o 225.1880 19.29586 1299.798       205.7384 1426.301       233.9735 868.5028       432.0197 234.4418 21.10037 152.2141 50.70174 82.22768       54.91714 
1 1 1 17  10  25 o 73.67816 31.13460 79.33994       188.5188 432.3760       291.1238 -175.6024      247.3940 114.6932 41.42019 64.03088 30.32587 50.66235       51.33508 
1 1 1 17  10  26 o 129.7082 43.38617 612.5986       316.2896 612.5986       316.2896 0.000000       0.000000 129.7082 43.38617 ?        ?        0.000000       43.38617 
1 1 1 17  10  27 o 191.9164 33.13522 1136.322       293.0393 1293.053       334.9641 625.1407       604.9337 200.6049 36.26022 113.8424 51.57938 86.76252       63.04948 
1 1 1 17  10  28 o 94.15540 39.17894 294.5187       291.5305 301.0450       333.0727 273.1420       602.8041 95.03648 40.80769 97.66662 46.56388 -2.630142      61.91496 
1 1 1 17  10  29 o 64.91465 30.24654 -48.52412      229.1972 15.15845       328.6509 -108.8220      319.7979 76.74600 35.91016 70.66520 33.75262 6.080803       49.28265 
1 1 1 17  10  30 o 47.83324 23.25587 -192.8259      168.7889 -41.66921      194.6261 -651.4605      339.0165 59.93084 27.90688 55.28629 27.85228 4.644547       39.42770 
1 1 1 17  10  31 f 59.04875 27.10775 -0.6739151E-01 174.2852 134.8179       201.8379 -395.4262      345.5543 71.97153 31.33346 60.06997 29.94648 11.90157       43.34255 
1 1 1 17  11  0  o 248.3232 10.60243 1492.596       125.5829 0.000000       0.000000 1492.596       125.5829 ?        ?        248.3232 10.60243 0.000000       10.60243 
1 1 1 17  11  1  o 199.9048 11.93733 971.6766       113.5681 0.000000       0.000000 971.6766       113.5681 ?        ?        199.9048 11.93733 0.000000       11.93733 
1 1 1 17  11  2  o 127.8281 16.16335 406.2513       96.57478 0.000000       0.000000 406.2513       96.57478 ?        ?        127.8281 16.16335 0.000000       16.16335 
1 1 1 17  11  3  o 70.31784 17.05758 126.2047       56.75043 0.000000       0.000000 126.2047       56.75043 ?        ?        70.31784 17.05758 0.000000       17.05758 
1 1 1 17  11  4  o 74.04880 15.72935 139.0270       53.96415 0.000000       0.000000 139.0270       53.96415 ?        ?        74.04880 15.72935 0.000000       15.72935 
1 1 1 17  11  5  o 362.2166 9.838882 3167.898       170.2237 0.000000       0.000000 3167.898       170.2237 ?        ?        362.2166 9.838882 0.000000       9.838882 
1 1 1 17  11  6  o 197.0446 11.36888 942.7526       106.6456 0.000000       0.000000 942.7526       106.6456 ?        ?        197.0446 11.36888 0.000000       11.36888 
1 1 1 17  11  7  o 112.8166 13.72041 314.0989       72.48309 0.000000       0.000000 314.0989       72.48309 ?        ?        112.8166 13.72041 0.000000       13.72041 
1 1 1 17  11  8  o 129.0580 12.47663 407.8127       76.02348 0.000000       0.000000 407.8127       76.02348 ?        ?        129.0580 12.47663 0.000000       12.47663 
1 1 1 17  11  9  o 237.7299 9.874385 1366.326       111.9839 0.000000       0.000000 1366.326       111.9839 ?        ?        237.7299 9.874385 0.000000       9.874385 
1 1 1 17  11  10 o 88.30080 17.70270 198.5379       72.12883 0.000000       0.000000 198.5379       72.12883 ?        ?        88.30080 17.70270 0.000000       17.70270 
1 1 1 17  11  11 o 358.2786 13.52371 3129.762       231.2303 0.000000       0.000000 3129.762       231.2303 ?        ?        358.2786 13.52371 0.000000       13.52371 
1 1 1 17  11  12 o 112.0731 13.57019 310.1249       71.23107 0.000000       0.000000 310.1249       71.23107 ?        ?        112.0731 13.57019 0.000000       13.57019 
1 1 1 17  11  13 o 48.26840 19.18524 33.02743       66.20267 0.000000       0.000000 33.02743       66.20267 ?        ?        48.26840 19.18524 0.000000       19.18524 
1 1 1 17  11  14 o 208.6675 11.21351 1057.587       111.4568 0.000000       0.000000 1057.587       111.4568 ?        ?        208.6675 11.21351 0.000000       11.21351 
1 1 1 17  11  15 o 104.2596 17.86541 275.4557       85.84834 0.000000       0.000000 275.4557       85.84834 ?        ?        104.2596 17.86541 0.000000       17.86541 
1 1 1 17  11  16 o 149.6645 12.21978 547.6914       86.67560 561.0015       195.2609 544.4252       96.72772 144.4570 29.27662 148.7746 13.75490 -4.317596      32.34684 
1 1 1 17  11  17 o 134.2578 12.15588 441.5338       77.18051 712.0867       202.9846 395.8082       83.44807 164.4074 26.74284 126.5423 14.02883 37.86507       30.19913 
1 1 1 17  11  18 o 161.3656 16.01702 647.3844       121.9374 736.2387       144.3897 426.4440       227.6851 171.3950 17.88378 122.1642 36.32075 49.23077       40.48489 
1 1 1 17  11  19 o 80.08859 28.86166 154.3883       141.2589 200.5997       152.7061 -119.6339      371.8560 88.04580 30.14238 84.81608 39.17426 3.229721       49.42859 
1 1 1 17  11  20 o 216.2967 16.62146 1168.280       170.5637 1202.735       217.2209 1112.879       275.4441 216.6178 21.24793 202.4246 29.31401 14.19315       36.20478 
1 1 1 17  11  21 o 83.61052 26.51259 186.1279       118.9224 180.1519       124.4261 249.2312       404.3285 82.68654 27.19746 106.3983 45.30438 -23.71178      52.84116 
1 1 1 17  11  22 o 56.60783 23.95245 23.91966       111.8164 -31.08661      119.6226 404.5884       314.6884 52.13317 23.33579 115.0364 42.81110 -62.90326      48.75807 
1 1 1 17  11  23 o 90.60513 35.43502 202.4855       222.6041 228.3232       242.7531 65.93893       558.0568 94.49612 36.99013 102.9717 47.71065 -8.475601      60.37032 
1 1 1 17  11  24 o 204.5510 19.06068 1072.474       184.2556 913.0771       212.4358 1556.563       370.2113 184.5316 24.69924 230.6243 34.64656 -46.09265      42.54922 
1 1 1 17  11  25 o 57.53630 25.54839 -12.48259      140.4230 26.14234       166.4247 -107.9424      261.6340 65.53642 28.49295 69.32291 32.30573 -3.786499      43.07561 
1 1 1 17  11  26 o 71.62138 29.44985 98.99535       162.0603 99.90697       174.3224 93.19083       439.8753 73.01794 30.33248 92.00845 42.53531 -18.99051      52.24282 
1 1 1 17  11  27 o 71.25613 29.10432 108.5869       156.9483 -40.31932      195.3232 379.9195       263.6625 62.66825 28.74264 104.3151 39.11315 -41.64689      48.53841 
1 1 1 17  11  28 o 72.43320 30.27274 111.6957       175.1765 99.87877       198.8492 152.6510       370.1908 73.31925 31.50737 87.10069 39.80586 -13.78143      50.76633 
1 1 1 17  11  29 o 74.41662 30.89376 135.2768       180.6701 120.6178       206.8152 182.5087       371.2331 74.79028 32.13578 86.75925 39.72968 -11.96897      51.09947 
1 1 1 17  11  30 o 65.50918 29.70548 32.40943       201.1518 70.58099       211.7976 -318.9206      642.5526 69.23035 31.01528 78.66503 39.45508 -9.434677      50.18616 
1 1 1 17  11  31 o 73.54910 33.69202 116.5880       267.2839 147.0361       298.4776 -6.667470      600.5299 76.43199 35.22846 79.35825 39.54876 -2.926262      52.96366 
1 1 1 17  12  0  o 356.5271 10.31897 3071.996       175.7034 0.000000       0.000000 3071.996       175.7034 ?        ?        356.5271 10.31897 0.000000       10.31897 
1 1 1 17  12  1  o 210.1514 11.21702 1071.254       112.2902 0.000000       0.000000 1071.254       112.2902 ?        ?        210.1514 11.21702 0.000000       11.21702 
1 1 1 17  12  2  o 217.9768 10.95161 1151.579       113.7636 0.000000       0.000000 1151.579       113.7636 ?        ?        217.9768 10.95161 0.000000       10.95161 
1 1 1 17  12  3  o 328.4671 9.614478 2604.078       150.8198 0.000000       0.000000 2604.078       150.8198 ?        ?        328.4671 9.614478 0.000000       9.614478 
1 1 1 17  12  4  o 171.9250 11.46716 718.5571       93.71593 0.000000       0.000000 718.5571       93.71593 ?        ?        171.9250 11.46716 0.000000       11.46716 
1 1 1 17  12  5  o 30.79881 13.87943 -21.03769      43.11665 0.000000       0.000000 -21.03769      43.11665 ?        ?        30.79881 13.87943 0.000000       13.87943 
1 1 1 17  12  6  o 122.3731 12.70652 367.2823       73.25880 0.000000       0.000000 367.2823       73.25880 ?        ?        122.3731 12.70652 0.000000       12.70652 
1 1 1 17  12  7  o 183.8898 11.01468 820.7341       96.39237 0.000000       0.000000 820.7341       96.39237 ?        ?        183.8898 11.01468 0.000000       11.01468 
1 1 1 17  12  8  o 61.84962 19.78518 93.64039       66.10963 0.000000       0.000000 93.64039       66.10963 ?        ?        61.84962 19.78518 0.000000       19.78518 
1 1 1 17  12  9  o 187.4761 11.30881 853.8156       100.8897 0.000000       0.000000 853.8156       100.8897 ?        ?        187.4761 11.30881 0.000000       11.30881 
1 1 1 17  12  10 o 170.2476 12.36357 707.0024       99.94554 0.000000       0.000000 707.0024       99.94554 ?        ?        170.2476 12.36357 0.000000       12.36357 
1 1 1 17  12  11 o 74.63158 20.63972 143.2630       76.11774 0.000000       0.000000 143.2630       76.11774 ?        ?        74.63158 20.63972 0.000000       20.63972 
1 1 1 17  12  12 f 74.68977 20.37776 143.6096       74.77208 0.000000       0.000000 143.6096       74.77208 ?        ?        74.68977 20.37776 0.000000       20.37776 
1 1 1 17  12  13 o 48.03339 19.36133 28.72410       68.40054 0.000000       0.000000 28.72410       68.40054 ?        ?        48.03339 19.36133 0.000000       19.36133 
1 1 1 17  12  14 o 181.4484 11.42941 800.8496       98.64456 0.000000       0.000000 800.8496       98.64456 ?        ?        181.4484 11.42941 0.000000       11.42941 
1 1 1 17  12  15 o 78.23888 19.73898 158.2094       73.81834 0.000000       0.000000 158.2094       73.81834 ?        ?        78.23888 19.73898 0.000000       19.73898 
1 1 1 17  12  16 o 84.05883 21.43548 184.1254       86.39869 0.000000       0.000000 184.1254       86.39869 ?        ?        84.05883 21.43548 0.000000       21.43548 
1 1 1 17  12  17 o 184.5619 11.80896 830.7486       103.6520 965.8906       218.9120 791.6959       117.6793 193.3020 24.21785 179.4961 13.81945 13.80595       27.88336 
1 1 1 17  12  18 o 69.29087 26.25255 99.29626       119.4742 99.93951       125.4762 93.05083       390.9750 70.20299 26.83093 98.43336 43.21315 -28.23037      50.86527 
1 1 1 17  12  19 o 108.7149 27.58846 322.8611       143.6063 231.5362       187.7185 451.7230       222.9844 93.98194 33.33872 124.7752 35.62139 -30.79330      48.78887 
1 1 1 17  12  20 o 152.3970 18.72638 590.6465       133.5740 510.7473       145.7802 1008.719       333.4671 139.7020 22.59784 183.9514 39.12226 -44.24936      45.17979 
1 1 1 17  12  21 f 102.6417 29.92536 295.2600       155.8362 255.8619       203.6625 350.9080       242.0458 96.93575 34.68919 109.5368 37.93084 -12.60108      51.40125 
1 1 1 17  12  22 o 52.93000 23.07046 -2.377300      109.6915 -12.83814      122.3864 40.34447       247.3288 54.53904 24.05147 78.53476 34.42686 -23.99572      41.99622 
1 1 1 17  12  23 o 106.7770 25.31476 312.5938       127.2508 376.2849       144.3497 90.51817       269.5422 116.7576 26.47203 84.20978 36.43777 32.54783       45.03865 
1 1 1 17  12  24 o 144.0559 35.01510 625.2426       238.7686 496.9448       261.3550 1272.756       587.1453 124.7019 39.27340 169.7235 59.05972 -45.02168      70.92567 
1 1 1 17  12  25 o 77.93475 33.36777 91.82607       221.5047 136.6203       281.8754 19.50484       358.1617 86.64040 37.37493 85.23441 39.02861 1.405998       54.03811 
1 1 1 17  12  26 o 101.5547 36.81247 332.8736       230.2292 434.9702       295.2879 174.5887       367.6715 110.9076 41.43177 91.90250 41.04034 19.00510       58.31725 
1 1 1 17  12  27 o 103.0187 38.66075 371.0645       257.7174 295.9519       306.8494 550.9186       474.8199 95.70237 40.03681 111.2860 48.25715 -15.58366      62.70326 
1 1 1 17  12  28 o 71.41573 31.61472 63.38043       213.4088 -80.63124      318.9183 180.1560       287.1816 72.62596 34.40695 84.94675 37.17093 -12.32079      50.65092 
1 1 1 17  12  29 o 60.00026 28.42692 -106.7942      217.7479 100.2541       342.7786 -246.8712      281.9430 80.94875 37.46668 61.33817 29.87471 19.61058       47.91921 
1 1 1 17  12  30 o 58.99390 27.08143 -11.95875      173.9220 -1.959071      193.7973 -53.34585      394.2642 62.02201 28.51389 74.33383 35.99978 -12.31182      45.92414 
1 1 1 17  12  31 o 71.39059 31.05463 135.3576       197.9145 115.5084       206.8598 350.0853       680.3755 70.19820 31.09827 85.87526 42.68099 -15.67706      52.80880 
1 1 1 17  13  0  o 61.40481 21.75406 84.12779       79.90385 0.000000       0.000000 84.12779       79.90385 ?        ?        61.40481 21.75406 0.000000       21.75406 
1 1 1 17  13  1  o 140.0847 16.08788 486.5709       105.7918 0.000000       0.000000 486.5709       105.7918 ?        ?        140.0847 16.08788 0.000000       16.08788 
1 1 1 17  13  2  o 278.6765 10.28083 1877.644       136.7388 0.000000       0.000000 1877.644       136.7388 ?        ?        278.6765 10.28083 0.000000       10.28083 
1 1 1 17  13  3  o 38.66266 18.13520 -82.06601      84.69455 0.000000       0.000000 -82.06601      84.69455 ?        ?        38.66266 18.13520 0.000000       18.13520 
1 1 1 17  13  4  o 57.19831 21.00642 67.32623       75.32568 0.000000       0.000000 67.32623       75.32568 ?        ?        57.19831 21.00642 0.000000       21.00642 
1 1 1 17  13  5  o 80.15688 19.11428 165.0286       72.21581 0.000000       0.000000 165.0286       72.21581 ?        ?        80.15688 19.11428 0.000000       19.11428 
1 1 1 17  13  6  o 150.9964 12.19716 556.2737       87.30206 0.000000       0.000000 556.2737       87.30206 ?        ?        150.9964 12.19716 0.000000       12.19716 
1 1 1 17  13  7  o 54.21473 20.36546 56.42715       71.55127 0.000000       0.000000 56.42715       71.55127 ?        ?        54.21473 20.36546 0.000000       20.36546 
1 1 1 17  13  8  o 264.6365 9.857500 1692.313       124.4988 0.000000       0.000000 1692.313       124.4988 ?        ?        264.6365 9.857500 0.000000       9.857500 
1 1 1 17  13  9  o 46.60406 18.73697 27.27666       63.88250 0.000000       0.000000 27.27666       63.88250 ?        ?        46.60406 18.73697 0.000000       18.73697 
1 1 1 17  13  10 o 232.7540 10.34711 1311.347       114.8518 0.000000       0.000000 1311.347       114.8518 ?        ?        232.7540 10.34711 0.000000       10.34711 
1 1 1 17  13  11 o 139.7127 13.08399 478.5735       86.37789 0.000000       0.000000 478.5735       86.37789 ?        ?        139.7127 13.08399 0.000000       13.08399 
1 1 1 17  13  12 o 253.2970 10.72721 1554.418       129.6107 0.000000       0.000000 1554.418       129.6107 ?        ?        253.2970 10.72721 0.000000       10.72721 
1 1 1 17  13  13 o 199.6954 13.08052 974.2357       124.1950 0.000000       0.000000 974.2357       124.1950 ?        ?        199.6954 13.08052 0.000000       13.08052 
1 1 1 17  13  14 o 238.2355 13.91983 1389.339       157.8530 0.000000       0.000000 1389.339       157.8530 ?        ?        238.2355 13.91983 0.000000       13.91983 
1 1 1 17  13  15 o 199.8983 11.32525 971.7195       107.7917 0.000000       0.000000 971.7195       107.7917 ?        ?        199.8983 11.32525 0.000000       11.32525 
1 1 1 17  13  16 f 107.8997 17.53730 294.7486       87.36359 0.000000       0.000000 294.7486       87.36359 ?        ?        107.8997 17.53730 0.000000       17.53730 
1 1 1 17  13  17 o 103.3826 14.99645 267.4895       71.96037 132.4182       208.8036 285.6943       76.65651 84.35779 33.88902 106.7598 15.46888 -22.40201      37.25254 
1 1 1 17  13  18 o 203.8778 10.69906 1011.391       103.9206 1170.236       189.0204 942.5786       124.4101 215.7101 18.50732 195.8334 13.36819 19.87666       22.83045 
1 1 1 17  13  19 f 102.4688 31.36613 292.8286       168.0387 295.0531       211.0899 288.9801       277.6458 102.9287 35.43227 104.3229 39.90172 -1.394157      53.36285 
1 1 1 17  13  20 o 95.00467 25.90704 245.4061       120.8904 233.4032       127.3354 355.0531       384.8620 92.54202 27.07050 113.2792 45.83105 -20.73716      53.22873 
1 1 1 17  13  21 o 139.2890 25.61825 523.1647       164.3138 590.2468       214.1186 427.0711       256.2704 143.8760 31.95952 118.3714 39.03671 25.50457       50.45072 
1 1 1 17  13  22 o 123.3532 32.74034 443.6631       196.2702 483.1840       220.2691 291.3668       432.3990 127.2327 35.08104 108.4403 46.52838 18.79242       58.27151 
1 1 1 17  13  23 o 162.7487 19.00184 680.3928       145.0712 738.7949       169.3902 519.6699       281.0043 168.0459 21.58158 127.0225 40.80681 41.02339       46.16233 
1 1 1 17  13  24 o 197.2000 19.40308 1004.112       180.5638 1089.850       195.4831 505.8662       471.2434 204.8669 20.22199 119.1575 49.71520 85.70943       53.67057 
1 1 1 17  13  25 o 53.56863 24.12864 -29.49449      130.1225 1.641454       139.9126 -228.9104      354.0836 58.36348 25.72791 73.16132 35.09732 -14.79784      43.51720 
1 1 1 17  13  26 o 177.0426 22.90937 855.2469       189.3678 957.6722       215.5369 508.6079       396.5123 185.4104 24.94778 112.7893 46.18667 72.62107       52.49381 
1 1 1 17  13  27 o 83.74070 31.84870 205.3969       176.2467 261.0635       183.4171 -465.1012      636.5631 91.09638 32.87992 82.21942 40.93311 8.876961       52.50341 
1 1 1 17  13  28 o 65.33564 27.95259 66.35001       155.2322 5.547528       183.6039 218.7586       290.6873 63.40306 28.60062 87.31502 37.81065 -23.91195      47.40928 
1 1 1 17  13  29 o 94.84907 29.90088 292.6975       151.4611 242.2912       176.0953 436.0028       296.9179 85.93030 32.01613 102.0327 40.60556 -16.10238      51.70922 
1 1 1 17  13  30 o 88.04765 31.80672 272.7027       171.6844 344.5140       209.1552 124.3761       300.5950 94.74269 34.96776 76.57422 35.31527 18.16847       49.69821 
1 1 1 17  13  31 o 85.31831 35.09844 291.3173       230.3316 326.7190       248.1378 70.87017       619.2033 87.90201 36.32238 79.68682 39.78241 8.215187       53.86980 
1 1 1 17  14  0  o 121.3041 16.33215 367.4000       92.31248 0.000000       0.000000 367.4000       92.31248 ?        ?        121.3041 16.33215 0.000000       16.33215 
1 1 1 17  14  1  o 112.7227 20.29394 324.8180       105.3455 0.000000       0.000000 324.8180       105.3455 ?        ?        112.7227 20.29394 0.000000       20.29394 
1 1 1 17  14  2  o 305.3985 13.17034 2271.747       191.8448 0.000000       0.000000 2271.747       191.8448 ?        ?        305.3985 13.17034 0.000000       13.17034 
1 1 1 17  14  3  o 139.1485 12.53306 473.5494       82.48404 0.000000       0.000000 473.5494       82.48404 ?        ?        139.1485 12.53306 0.000000       12.53306 
1 1 1 17  14  4  o 102.9452 16.08352 265.3856       76.57016 0.000000       0.000000 265.3856       76.57016 ?        ?        102.9452 16.08352 0.000000       16.08352 
1 1 1 17  14  5  o 231.4876 10.86093 1298.406       119.8645 0.000000       0.000000 1298.406       119.8645 ?        ?        231.4876 10.86093 0.000000       10.86093 
1 1 1 17  14  6  o 39.53152 17.59840 -22.54087      67.06039 0.000000       0.000000 -22.54087      67.06039 ?        ?        39.53152 17.59840 0.000000       17.59840 
1 1 1 17  14  7  o 90.98000 19.10236 211.9850       80.43845 0.000000       0.000000 211.9850       80.43845 ?        ?        90.98000 19.10236 0.000000       19.10236 
1 1 1 17  14  8  o 182.1806 11.27246 806.2935       97.70049 0.000000       0.000000 806.2935       97.70049 ?        ?        182.1806 11.27246 0.000000       11.27246 
1 1 1 17  14  9  o 172.7398 11.64623 726.0943       95.61816 0.000000       0.000000 726.0943       95.61816 ?        ?        172.7398 11.64623 0.000000       11.64623 
1 1 1 17  14  10 o 309.9220 13.91374 2345.579       205.6345 0.000000       0.000000 2345.579       205.6345 ?        ?        309.9220 13.91374 0.000000       13.91374 
1 1 1 17  14  11 o 188.9789 13.71993 874.5595       123.1134 0.000000       0.000000 874.5595       123.1134 ?        ?        188.9789 13.71993 0.000000       13.71993 
1 1 1 17  14  12 o 64.34725 21.14366 100.6557       75.20702 0.000000       0.000000 100.6557       75.20702 ?        ?        64.34725 21.14366 0.000000       21.14366 
1 1 1 17  14  13 o 34.33000 16.17340 -71.82641      68.66393 0.000000       0.000000 -71.82641      68.66393 ?        ?        34.33000 16.17340 0.000000       16.17340 
1 1 1 17  14  14 o 120.1895 13.21471 356.0352       74.68208 0.000000       0.000000 356.0352       74.68208 ?        ?        120.1895 13.21471 0.000000       13.21471 
1 1 1 17  14  15 o 222.2318 13.98873 1212.137       147.8713 0.000000       0.000000 1212.137       147.8713 ?        ?        222.2318 13.98873 0.000000       13.98873 
1 1 1 17  14  16 o 146.6148 13.69149 530.0809       94.86057 0.000000       0.000000 530.0809       94.86057 ?        ?        146.6148 13.69149 0.000000       13.69149 
1 1 1 17  14  17 o 198.8809 13.56937 972.9525       128.2484 0.000000       0.000000 972.9525       128.2484 ?        ?        198.8809 13.56937 0.000000       13.56937 
1 1 1 17  14  18 o 107.6442 16.68629 293.6935       83.09589 288.9457       143.7684 296.0752       101.8272 102.4966 28.37322 106.5665 20.73288 -4.069839      35.14103 
1 1 1 17  14  19 o 70.31859 18.55113 128.6023       63.25646 244.7576       228.0893 118.9241       65.83905 96.96233 36.37426 67.74824 19.36082 29.21410       41.20592 
1 1 1 17  14  20 o 89.73943 25.74708 218.7502       116.2146 222.4828       126.9557 199.4491       288.6913 90.29987 27.18626 95.54407 39.29849 -5.244202      47.78560 
1 1 1 17  14  21 o 55.63983 23.49094 24.21893       107.1598 -27.77455      120.2468 224.8376       236.2026 52.55077 23.46856 94.16872 36.59462 -41.61796      43.47343 
1 1 1 17  14  22 o 72.47440 29.63615 89.61362       162.9688 247.6738       213.9183 -129.0014      251.5803 95.25125 35.32576 67.85110 31.63953 27.40015       47.42330 
1 1 1 17  14  23 o 136.0316 28.38318 520.8048       178.6122 403.1563       230.8761 696.1786       281.8826 114.0549 37.01850 147.9953 39.21597 -33.94041      53.92830 
1 1 1 17  14  24 o 86.14362 28.70241 208.9044       138.4485 140.5843       145.0904 904.2825       462.8869 75.87261 28.88720 146.5647 52.31414 -70.69209      59.75985 
1 1 1 17  14  25 o 60.24715 25.54615 41.89355       127.6399 -78.89352      142.5931 528.8839       286.3179 51.66780 24.00067 121.5672 41.28077 -69.89938      47.75074 
1 1 1 17  14  26 o 130.5889 26.71064 494.5905       161.1340 422.9000       167.8798 1333.258       574.1993 117.8280 29.78982 154.2014 57.74065 -36.37334      64.97243 
1 1 1 17  14  27 o 82.81420 30.03422 204.1244       153.2761 246.9682       166.1930 -39.79725      396.5462 88.98922 31.38746 79.96914 38.02456 9.020081       49.30558 
1 1 1 17  14  28 o 53.39127 24.17555 -19.61679      132.6510 -85.60824      162.7563 110.9531       228.9368 53.50783 25.11166 75.39402 33.08397 -21.88619      41.53486 
1 1 1 17  14  29 o 113.1669 27.68521 402.3566       148.5359 531.4067       186.0692 175.6464       246.6215 126.7863 30.96756 79.04097 34.51945 47.74530       46.37437 
1 1 1 17  14  30 o 65.92422 31.06200 -8.521310      253.4200 93.27820       291.5562 -323.0870      512.5133 73.43633 34.18249 71.09340 35.59683 2.342926       49.35157 
1 1 1 17  15  0  o 301.9388 13.44368 2228.922       193.5775 0.000000       0.000000 2228.922       193.5775 ?        ?        301.9388 13.44368 0.000000       13.44368 
1 1 1 17  15  1  o 34.00903 15.78283 -50.46246      61.43843 0.000000       0.000000 -50.46246      61.43843 ?        ?        34.00903 15.78283 0.000000       15.78283 
1 1 1 17  15  2  f 38.31090 17.80928 -65.21729      78.73800 0.000000       0.000000 -65.21729      78.73800 ?        ?        38.31090 17.80928 0.000000       17.80928 
1 1 1 17  15  3  o 104.8494 21.18190 283.9457       102.5201 0.000000       0.000000 283.9457       102.5201 ?        ?        104.8494 21.18190 0.000000       21.18190 
1 1 1 17  15  4  f 155.6815 12.17867 591.7139       89.92442 0.000000       0.000000 591.7139       89.92442 ?        ?        155.6815 12.17867 0.000000       12.17867 
1 1 1 17  15  5  o 114.3059 13.39024 322.1773       71.79005 0.000000       0.000000 322.1773       71.79005 ?        ?        114.3059 13.39024 0.000000       13.39024 
1 1 1 17  15  6  o 196.0732 12.01166 935.9601       112.0574 0.000000       0.000000 935.9601       112.0574 ?        ?        196.0732 12.01166 0.000000       12.01166 
1 1 1 17  15  7  o 78.03955 22.80400 156.8923       90.40242 0.000000       0.000000 156.8923       90.40242 ?        ?        78.03955 22.80400 0.000000       22.80400 
1 1 1 17  15  8  o 149.5246 11.86483 545.5014       84.12196 0.000000       0.000000 545.5014       84.12196 ?        ?        149.5246 11.86483 0.000000       11.86483 
1 1 1 17  15  9  o 132.3076 12.84107 429.4773       80.20558 0.000000       0.000000 429.4773       80.20558 ?        ?        132.3076 12.84107 0.000000       12.84107 
1 1 1 17  15  10 o 131.2378 15.54672 427.7513       95.65290 0.000000       0.000000 427.7513       95.65290 ?        ?        131.2378 15.54672 0.000000       15.54672 
1 1 1 17  15  11 o 65.21294 21.50802 103.6017       77.79462 0.000000       0.000000 103.6017       77.79462 ?        ?        65.21294 21.50802 0.000000       21.50802 
1 1 1 17  15  12 o 235.8062 13.06576 1358.747       146.7226 0.000000       0.000000 1358.747       146.7226 ?        ?        235.8062 13.06576 0.000000       13.06576 
1 1 1 17  15  13 o 107.5023 14.46274 287.6933       72.44814 0.000000       0.000000 287.6933       72.44814 ?        ?        107.5023 14.46274 0.000000       14.46274 
1 1 1 17  15  14 o 72.79775 22.38958 135.8214       85.49378 0.000000       0.000000 135.8214       85.49378 ?        ?        72.79775 22.38958 0.000000       22.38958 
1 1 1 17  15  15 o 105.5536 14.55951 278.3529       71.51826 0.000000       0.000000 278.3529       71.51826 ?        ?        105.5536 14.55951 0.000000       14.55951 
1 1 1 17  15  16 o 110.9694 17.08605 312.1778       87.74274 0.000000       0.000000 312.1778       87.74274 ?        ?        110.9694 17.08605 0.000000       17.08605 
1 1 1 17  15  17 f 72.46688 17.88822 136.1301       61.59527 0.000000       0.000000 136.1301       61.59527 ?        ?        72.46688 17.88822 0.000000       17.88822 
1 1 1 17  15  18 o 50.86250 20.44979 36.38781       76.09872 -230.6577      135.4482 159.5611       91.98962 41.88230 20.46587 77.80276 23.07520 -35.92046      30.84342 
1 1 1 17  15  19 o 131.6190 16.22922 436.6578       99.96277 414.8923       238.6464 441.2893       110.0858 117.5714 37.58910 131.5829 17.96833 -14.01154      41.66294 
1 1 1 17  15  20 o 48.24182 18.02007 46.73357       55.85628 -68.34724      143.9278 67.13924       60.60640 54.00815 24.73421 53.97361 18.96123 0.3454208E-01  31.16584 
1 1 1 17  15  21 o 109.3929 25.88249 329.1652       133.2373 333.3496       137.8367 269.5867       520.1078 109.7635 26.55719 110.0679 49.00415 -0.3044891     55.73770 
1 1 1 17  15  22 o 196.1854 16.89300 974.1632       156.9047 973.2863       186.5544 976.2833       290.0639 193.6506 20.45909 181.5807 34.67727 12.06981       40.26273 
1 1 1 17  15  23 o 140.7809 31.50679 584.7435       206.7566 700.1592       232.1946 142.8835       454.3203 153.3881 32.66485 97.08675 44.26544 56.30136       55.01292 
1 1 1 17  15  24 o 119.7510 31.27200 434.9254       180.9474 378.4682       233.8289 519.2019       285.6880 107.3410 37.27547 121.0199 41.23310 -13.67892      55.58443 
1 1 1 17  15  25 o 60.41417 27.70540 -44.63147      181.4048 -226.4243      236.1677 216.9798       283.3090 58.33395 28.15608 89.53410 38.01583 -31.20016      47.30717 
1 1 1 17  15  26 o 55.32001 26.57207 -182.5658      204.4185 -539.3176      335.4844 28.10326       257.8040 59.55323 29.65961 73.49987 33.44677 -13.94664      44.70324 
1 1 1 17  15  27 o 66.73496 30.43489 2.407112       214.9507 247.7234       350.1084 -146.0051      272.3167 90.46135 40.24453 64.92743 31.04858 25.53392       50.82949 
1 1 1 17  15  28 o 59.24137 27.61214 -50.64951      191.2597 35.24888       318.5241 -99.08219      239.1768 75.15807 35.22685 62.18816 29.55874 12.96991       45.98532 
1 1 1 17  15  29 o 91.49787 36.36166 333.3297       237.7713 544.9049       290.2964 -97.91872      414.4508 108.3661 40.95243 72.99284 35.69621 35.37324       54.32606 
1 1 1 17  16  0  o 104.7694 19.67090 282.5698       94.91223 0.000000       0.000000 282.5698       94.91223 ?        ?        104.7694 19.67090 0.000000       19.67090 
1 1 1 17  16  1  o 191.6297 13.97477 902.8878       127.1512 0.000000       0.000000 902.8878       127.1512 ?        ?        191.6297 13.97477 0.000000       13.97477 
1 1 1 17  16  2  o 142.8504 13.47029 502.4246       90.90938 0.000000       0.000000 502.4246       90.90938 ?        ?        142.8504 13.47029 0.000000       13.47029 
1 1 1 17  16  3  o 95.85223 23.16685 242.0824       104.9758 0.000000       0.000000 242.0824       104.9758 ?        ?        95.85223 23.16685 0.000000       23.16685 
1 1 1 17  16  4  o 174.4489 12.87951 745.3984       106.6603 0.000000       0.000000 745.3984       106.6603 ?        ?        174.4489 12.87951 0.000000       12.87951 
1 1 1 17  16  5  o 82.24249 18.87164 174.6326       72.62493 0.000000       0.000000 174.6326       72.62493 ?        ?        82.24249 18.87164 0.000000       18.87164 
1 1 1 17  16  6  o 92.56950 19.31066 220.8723       82.69287 0.000000       0.000000 220.8723       82.69287 ?        ?        92.56950 19.31066 0.000000       19.31066 
1 1 1 17  16  7  o 191.1489 12.11825 891.7386       110.1739 0.000000       0.000000 891.7386       110.1739 ?        ?        191.1489 12.11825 0.000000       12.11825 
1 1 1 17  16  8  o 171.7818 13.35546 724.1975       108.8231 0.000000       0.000000 724.1975       108.8231 ?        ?        171.7818 13.35546 0.000000       13.35546 
1 1 1 17  16  9  f 77.70998 20.68558 157.0214       78.20456 0.000000       0.000000 157.0214       78.20456 ?        ?        77.70998 20.68558 0.000000       20.68558 
1 1 1 17  16  10 o 117.4378 13.98176 341.8688       76.96193 0.000000       0.000000 341.8688       76.96193 ?        ?        117.4378 13.98176 0.000000       13.98176 
1 1 1 17  16  11 o 274.8707 14.76114 1859.688       193.2684 0.000000       0.000000 1859.688       193.2684 ?        ?        274.8707 14.76114 0.000000       14.76114 
1 1 1 17  16  12 o 46.02674 19.71992 2.728905       77.46181 0.000000       0.000000 2.728905       77.46181 ?        ?        46.02674 19.71992 0.000000       19.71992 
1 1 1 17  16  13 o 68.13860 18.01608 119.7909       59.57528 0.000000       0.000000 119.7909       59.57528 ?        ?        68.13860 18.01608 0.000000       18.01608 
1 1 1 17  16  14 o 45.51144 19.81030 -6.792563      80.65022 0.000000       0.000000 -6.792563      80.65022 ?        ?        45.51144 19.81030 0.000000       19.81030 
1 1 1 17  16  15 o 158.9995 13.30512 623.1331       100.2135 0.000000       0.000000 623.1331       100.2135 ?        ?        158.9995 13.30512 0.000000       13.30512 
1 1 1 17  16  16 o 49.13278 20.80883 12.46050       84.52226 0.000000       0.000000 12.46050       84.52226 ?        ?        49.13278 20.80883 0.000000       20.80883 
1 1 1 17  16  17 o 62.32737 18.30518 99.63892       58.12416 0.000000       0.000000 99.63892       58.12416 ?        ?        62.32737 18.30518 0.000000       18.30518 
1 1 1 17  16  18 f 137.0792 16.23944 473.2763       104.3619 0.000000       0.000000 473.2763       104.3619 ?        ?        137.0792 16.23944 0.000000       16.23944 
1 1 1 17  16  19 o 157.8250 13.87560 618.2444       103.6327 538.6180       250.1475 634.7427       113.8637 132.8604 37.66235 159.3890 15.12328 -26.52858      40.58530 
1 1 1 17  16  20 o 91.32760 17.26809 215.4782       72.63560 130.8031       246.6586 223.5182       76.00584 85.34469 35.81264 92.87148 17.76523 -7.526794      39.97685 
1 1 1 17  16  21 o 59.30562 19.02709 89.10493       61.10750 -89.73363      151.1607 124.0404       66.80998 53.38894 24.76959 68.60465 19.46942 -15.21572      31.50541 
1 1 1 17  16  22 o 217.9860 19.02660 1229.152       196.3036 1286.345       210.0806 835.5067       551.1475 222.1678 19.99225 134.9366 54.75364 87.23120       58.28938 
1 1 1 17  16  23 f 117.9578 24.05592 386.6372       131.0585 285.7857       148.5454 740.9246       278.4170 98.08833 29.37903 149.2095 38.70433 -51.12120      48.59170 
1 1 1 17  16  24 o 72.21029 30.52666 94.31927       181.3489 108.3493       197.0337 16.57336       463.8199 75.03806 31.77530 87.76458 41.55375 -12.72652      52.31045 
1 1 1 17  16  25 o 121.8084 30.62373 459.7903       178.1224 695.1608       222.0168 34.61402       298.3969 149.3039 32.06105 77.38126 35.50382 71.92268       47.83756 
1 1 1 17  16  26 o 62.48114 27.50023 31.69167       159.2731 103.7220       198.7331 -97.65421      266.3109 73.22353 31.48265 66.69251 31.55007 6.531021       44.57089 
1 1 1 17  16  27 o 53.11164 25.43507 -142.7504      184.1934 -52.06843      200.1241 -645.2620      471.0986 60.46842 28.20426 66.46438 33.39728 -5.995956      43.71337 
1 1 1 17  16  28 o 62.75848 28.05850 41.22137       172.3907 -48.38986      214.0624 206.5898       290.7940 61.15089 28.73028 81.50052 36.43954 -20.34963      46.40333 
1 1 1 17  16  29 o 49.34462 23.76344 -135.0681      165.9651 21.26554       218.7700 -347.0263      254.7339 64.54016 29.89291 52.63236 26.15164 11.90780       39.71768 
1 1 1 17  17  0  f 278.5583 13.25691 1901.272       176.0429 0.000000       0.000000 1901.272       176.0429 ?        ?        278.5583 13.25691 0.000000       13.25691 
1 1 1 17  17  1  o 208.0640 13.47801 1063.197       133.3484 0.000000       0.000000 1063.197       133.3484 ?        ?        208.0640 13.47801 0.000000       13.47801 
1 1 1 17  17  2  o 141.6539 13.40057 494.7371       89.67392 0.000000       0.000000 494.7371       89.67392 ?        ?        141.6539 13.40057 0.000000       13.40057 
1 1 1 17  17  3  o 174.2444 14.84066 751.0026       122.4536 0.000000       0.000000 751.0026       122.4536 ?        ?        174.2444 14.84066 0.000000       14.84066 
1 1 1 17  17  4  o 179.5793 12.50882 789.6668       106.7229 0.000000       0.000000 789.6668       106.7229 ?        ?        179.5793 12.50882 0.000000       12.50882 
1 1 1 17  17  5  o 258.3416 13.43497 1635.659       165.3653 0.000000       0.000000 1635.659       165.3653 ?        ?        258.3416 13.43497 0.000000       13.43497 
1 1 1 17  17  6  o 151.6369 13.59909 566.6013       97.54202 0.000000       0.000000 566.6013       97.54202 ?        ?        151.6369 13.59909 0.000000       13.59909 
1 1 1 17  17  7  o 160.4430 13.95905 634.8603       106.0095 0.000000       0.000000 634.8603       106.0095 ?        ?        160.4430 13.95905 0.000000       13.95905 
1 1 1 17  17  8  o 222.0849 11.43583 1201.644       121.0125 0.000000       0.000000 1201.644       121.0125 ?        ?        222.0849 11.43583 0.000000       11.43583 
1 1 1 17  17  9  o 212.1605 13.91416 1107.178       140.3545 0.000000       0.000000 1107.178       140.3545 ?        ?        212.1605 13.91416 0.000000       13.91416 
1 1 1 17  17  10 o 289.0539 13.96173 2052.626       192.3713 0.000000       0.000000 2052.626       192.3713 ?        ?        289.0539 13.96173 0.000000       13.96173 
1 1 1 17  17  11 f 123.5005 16.46365 383.6054       94.78907 0.000000       0.000000 383.6054       94.78907 ?        ?        123.5005 16.46365 0.000000       16.46365 
1 1 1 17  17  12 o 93.15112 16.58297 220.9122       71.14390 0.000000       0.000000 220.9122       71.14390 ?        ?        93.15112 16.58297 0.000000       16.58297 
1 1 1 17  17  13 o 111.5587 18.27112 318.3005       94.07845 0.000000       0.000000 318.3005       94.07845 ?        ?        111.5587 18.27112 0.000000       18.27112 
1 1 1 17  17  14 o 133.7513 14.83310 446.0743       93.25742 0.000000       0.000000 446.0743       93.25742 ?        ?        133.7513 14.83310 0.000000       14.83310 
1 1 1 17  17  15 o 143.9916 13.75454 513.7605       93.53790 0.000000       0.000000 513.7605       93.53790 ?        ?        143.9916 13.75454 0.000000       13.75454 
1 1 1 17  17  16 o 85.81035 22.40737 196.3359       92.90509 0.000000       0.000000 196.3359       92.90509 ?        ?        85.81035 22.40737 0.000000       22.40737 
1 1 1 17  17  17 o 29.22562 13.67395 -44.51862      47.63848 0.000000       0.000000 -44.51862      47.63848 ?        ?        29.22562 13.67395 0.000000       13.67395 
1 1 1 17  17  18 o 133.9410 16.89182 455.2747       105.7672 0.000000       0.000000 455.2747       105.7672 ?        ?        133.9410 16.89182 0.000000       16.89182 
1 1 1 17  17  19 o 35.20230 16.99419 -123.8393      86.13018 0.000000       0.000000 -123.8393      86.13018 ?        ?        35.20230 16.99419 0.000000       16.99419 
1 1 1 17  17  20 o 61.81503 19.82185 98.02612       66.32529 7.250410       251.1375 104.8323       68.76683 74.97830 33.66732 63.64202 20.15847 11.33628       39.24096 
1 1 1 17  17  21 o 73.29534 19.60674 144.0735       70.04506 176.4723       319.3989 142.4366       71.79272 90.98322 39.51519 72.81300 20.00893 18.17021       44.29230 
1 1 1 17  17  22 o 76.63131 18.99534 157.9673       69.24114 -13.82922      196.8348 182.2283       73.96883 65.33694 29.52994 82.31519 19.15660 -16.97825      35.19933 
1 1 1 17  17  23 o 140.7891 25.82394 564.6820       167.4164 883.3243       220.1627 127.8170       257.7898 175.3231 27.14248 81.28041 35.39830 94.04272       44.60666 
1 1 1 17  17  24 o 61.27363 27.33911 6.858856       162.7901 -26.18568      200.0313 71.66845       280.1353 63.82315 29.20286 78.15021 35.28352 -14.32706      45.80103 
1 1 1 17  17  25 o 76.65796 31.73000 147.0038       189.7977 161.8891       205.0077 57.70846       502.1176 79.01332 32.86443 87.17556 41.81362 -8.162239      53.18317 
1 1 1 17  17  26 o 149.6279 28.40930 688.9936       195.7966 656.1024       241.8388 751.5716       333.5775 134.8189 36.59206 128.8787 44.53378 5.940247       57.63884 
1 1 1 17  17  27 o 208.4284 21.08132 1219.311       207.1846 1305.753       265.8008 1085.475       330.7356 205.2644 27.79921 162.1416 42.24728 43.12282       50.57301 
1 1 1 17  17  28 o 83.12140 33.57799 253.4496       206.2272 312.4210       224.4496 -66.12798      522.5001 88.64133 35.29504 76.33385 37.84648 12.30748       51.75032 
1 1 1 17  18  0  o 53.96776 21.28592 48.18136       80.91301 0.000000       0.000000 48.18136       80.91301 ?        ?        53.96776 21.28592 0.000000       21.28592 
1 1 1 17  18  1  o 65.57629 25.47481 82.48621       114.4349 0.000000       0.000000 82.48621       114.4349 ?        ?        65.57629 25.47481 0.000000       25.47481 
1 1 1 17  18  2  o 241.1185 12.54594 1423.613       144.1271 0.000000       0.000000 1423.613       144.1271 ?        ?        241.1185 12.54594 0.000000       12.54594 
1 1 1 17  18  3  o 96.76428 24.92953 251.4703       116.0394 0.000000       0.000000 251.4703       116.0394 ?        ?        96.76428 24.92953 0.000000       24.92953 
1 1 1 17  18  4  o 49.46352 19.24368 41.48958       65.37484 0.000000       0.000000 41.48958       65.37484 ?        ?        49.46352 19.24368 0.000000       19.24368 
1 1 1 17  18  5  o 189.2219 13.09353 879.5138       117.7200 0.000000       0.000000 879.5138       117.7200 ?        ?        189.2219 13.09353 0.000000       13.09353 
1 1 1 17  18  6  o 78.58560 18.30642 160.0330       67.49536 0.000000       0.000000 160.0330       67.49536 ?        ?        78.58560 18.30642 0.000000       18.30642 
1 1 1 17  18  7  o 301.5150 10.67754 2209.523       153.6746 0.000000       0.000000 2209.523       153.6746 ?        ?        301.5150 10.67754 0.000000       10.67754 
1 1 1 17  18  8  o 135.5361 14.78597 457.1129       94.25853 0.000000       0.000000 457.1129       94.25853 ?        ?        135.5361 14.78597 0.000000       14.78597 
1 1 1 17  18  9  o 188.5794 12.31990 871.4551       110.4651 0.000000       0.000000 871.4551       110.4651 ?        ?        188.5794 12.31990 0.000000       12.31990 
1 1 1 17  18  10 o 223.1965 14.02860 1228.237       148.9388 0.000000       0.000000 1228.237       148.9388 ?        ?        223.1965 14.02860 0.000000       14.02860 
1 1 1 17  18  11 o 199.0526 12.23654 970.8394       115.8859 0.000000       0.000000 970.8394       115.8859 ?        ?        199.0526 12.23654 0.000000       12.23654 
1 1 1 17  18  12 o 169.1976 14.33873 709.4215       114.8968 0.000000       0.000000 709.4215       114.8968 ?        ?        169.1976 14.33873 0.000000       14.33873 
1 1 1 17  18  13 o 70.09909 23.11094 124.3776       89.82513 0.000000       0.000000 124.3776       89.82513 ?        ?        70.09909 23.11094 0.000000       23.11094 
1 1 1 17  18  14 f 140.3811 14.07740 489.9164       93.20630 0.000000       0.000000 489.9164       93.20630 ?        ?        140.3811 14.07740 0.000000       14.07740 
1 1 1 17  18  15 o 116.0634 18.75303 347.3283       100.5113 0.000000       0.000000 347.3283       100.5113 ?        ?        116.0634 18.75303 0.000000       18.75303 
1 1 1 17  18  16 o 155.8114 15.49913 609.2850       113.9262 0.000000       0.000000 609.2850       113.9262 ?        ?        155.8114 15.49913 0.000000       15.49913 
1 1 1 17  18  17 o 82.98714 18.18931 180.5453       70.17059 0.000000       0.000000 180.5453       70.17059 ?        ?        82.98714 18.18931 0.000000       18.18931 
1 1 1 17  18  18 o 248.3868 12.06358 1520.772       142.8277 0.000000       0.000000 1520.772       142.8277 ?        ?        248.3868 12.06358 0.000000       12.06358 
1 1 1 17  18  19 o 168.3516 14.05724 710.5087       112.1107 0.000000       0.000000 710.5087       112.1107 ?        ?        168.3516 14.05724 0.000000       14.05724 
1 1 1 17  18  20 o 148.8133 16.90725 570.1583       118.1584 0.000000       0.000000 570.1583       118.1584 ?        ?        148.8133 16.90725 0.000000       16.90725 
1 1 1 17  18  21 o 156.0322 14.05418 614.7356       103.7179 718.6437       341.7499 604.1940       108.8519 135.5723 45.09298 154.1423 14.95872 -18.56996      47.50937 
1 1 1 17  18  22 o 34.35792 15.75950 -33.86690      58.73671 259.3677       338.8346 -42.95158      59.63963 93.96552 40.75579 33.57370 15.57020 60.39181       43.62872 
1 1 1 17  18  23 o 39.25061 17.13809 -2.788790      60.76037 -3.309235      205.1888 -2.738768      63.61337 65.90572 29.93143 40.10871 17.52382 25.79700       34.68393 
1 1 1 17  18  24 o 69.76208 29.41456 100.2791       167.6608 -186.6180      214.8365 547.2129       268.1430 55.91463 26.95494 118.6638 39.95048 -62.74915      48.19346 
1 1 1 17  18  25 o 67.57236 29.47688 78.83202       179.3862 129.1149       217.9260 -26.83925      315.9202 74.69492 32.53814 72.00993 34.15307 2.684982       47.17163 
1 1 1 17  18  26 o 121.6926 35.61982 556.0206       220.4057 552.2795       239.1024 577.1745       568.5626 117.5030 37.63100 95.86115 45.56673 21.64187       59.09669 
1 1 1 17  19  0  o 52.54761 19.93198 55.15955       68.91792 0.000000       0.000000 55.15955       68.91792 ?        ?        52.54761 19.93198 0.000000       19.93198 
1 1 1 17  19  1  o 187.8554 14.43429 878.8835       128.6433 0.000000       0.000000 878.8835       128.6433 ?        ?        187.8554 14.43429 0.000000       14.43429 
1 1 1 17  19  2  o 67.71938 19.08987 119.8686       64.45036 0.000000       0.000000 119.8686       64.45036 ?        ?        67.71938 19.08987 0.000000       19.08987 
1 1 1 17  19  3  o 113.5688 22.67625 343.6889       118.8092 0.000000       0.000000 343.6889       118.8092 ?        ?        113.5688 22.67625 0.000000       22.67625 
1 1 1 17  19  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  13 o 71.17353 34.52021 -377.1312      365.9935 0.000000       0.000000 -377.1312      365.9935 ?        ?        71.17353 34.52021 0.000000       34.52021 
1 1 1 17  19  14 o 106.2000 34.59257 338.6874       201.5101 0.000000       0.000000 338.6874       201.5101 ?        ?        106.2000 34.59257 0.000000       34.59257 
1 1 1 17  19  15 o 83.79704 38.28884 5.331107       342.3013 0.000000       0.000000 5.331107       342.3013 ?        ?        83.79704 38.28884 0.000000       38.28884 
1 1 1 17  19  16 o 87.54463 34.66124 197.4583       215.2940 0.000000       0.000000 197.4583       215.2940 ?        ?        87.54463 34.66124 0.000000       34.66124 
1 1 1 17  19  17 o 92.45847 42.43697 102.4610       426.8470 0.000000       0.000000 102.4610       426.8470 ?        ?        92.45847 42.43697 0.000000       42.43697 
1 1 1 17  19  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  19  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  20  0  o 67.26448 26.74621 89.89982       128.7157 0.000000       0.000000 89.89982       128.7157 ?        ?        67.26448 26.74621 0.000000       26.74621 
1 1 1 17  20  1  o 105.6155 17.48577 288.9539       85.20521 0.000000       0.000000 288.9539       85.20521 ?        ?        105.6155 17.48577 0.000000       17.48577 
1 1 1 17  20  2  o 218.1154 13.44223 1181.745       139.4926 0.000000       0.000000 1181.745       139.4926 ?        ?        218.1154 13.44223 0.000000       13.44223 
1 1 1 17  20  3  o 112.4656 13.79420 317.7076       72.61807 0.000000       0.000000 317.7076       72.61807 ?        ?        112.4656 13.79420 0.000000       13.79420 
1 1 1 17  20  4  o 201.5831 12.86792 1006.352       123.3666 0.000000       0.000000 1006.352       123.3666 ?        ?        201.5831 12.86792 0.000000       12.86792 
1 1 1 17  20  5  o 65.15803 20.60024 110.1435       71.84374 0.000000       0.000000 110.1435       71.84374 ?        ?        65.15803 20.60024 0.000000       20.60024 
1 1 1 17  20  6  o 48.66258 21.68329 -21.25149      102.0470 0.000000       0.000000 -21.25149      102.0470 ?        ?        48.66258 21.68329 0.000000       21.68329 
1 1 1 17  20  7  o 60.28747 20.88947 88.63371       73.41703 0.000000       0.000000 88.63371       73.41703 ?        ?        60.28747 20.88947 0.000000       20.88947 
1 1 1 17  20  8  o 35.51838 16.63000 -62.29840      70.67147 0.000000       0.000000 -62.29840      70.67147 ?        ?        35.51838 16.63000 0.000000       16.63000 
1 1 1 17  20  9  o 53.72690 22.49171 29.24628       96.93826 0.000000       0.000000 29.24628       96.93826 ?        ?        53.72690 22.49171 0.000000       22.49171 
1 1 1 17  20  10 o 53.41584 18.80197 66.85353       59.61318 0.000000       0.000000 66.85353       59.61318 ?        ?        53.41584 18.80197 0.000000       18.80197 
1 1 1 17  20  11 o 82.47510 38.65844 -86.18296      383.6917 0.000000       0.000000 -86.18296      383.6917 ?        ?        82.47510 38.65844 0.000000       38.65844 
1 1 1 17  20  12 o 89.36466 18.70576 211.1932       77.35036 0.000000       0.000000 211.1932       77.35036 ?        ?        89.36466 18.70576 0.000000       18.70576 
1 1 1 17  20  13 o 89.81113 18.04363 212.3800       74.78336 0.000000       0.000000 212.3800       74.78336 ?        ?        89.81113 18.04363 0.000000       18.04363 
1 1 1 17  20  14 o 75.36401 19.33498 152.3764       70.00175 0.000000       0.000000 152.3764       70.00175 ?        ?        75.36401 19.33498 0.000000       19.33498 
1 1 1 17  20  15 o 146.9504 16.10074 552.1929       111.2665 0.000000       0.000000 552.1929       111.2665 ?        ?        146.9504 16.10074 0.000000       16.10074 
1 1 1 17  20  16 o 242.5114 15.41129 1490.298       177.7571 0.000000       0.000000 1490.298       177.7571 ?        ?        242.5114 15.41129 0.000000       15.41129 
1 1 1 17  20  17 f 43.26418 18.55159 7.143354       68.65946 0.000000       0.000000 7.143354       68.65946 ?        ?        43.26418 18.55159 0.000000       18.55159 
1 1 1 17  20  18 o 31.07511 14.92890 -84.98061      64.58558 0.000000       0.000000 -84.98061      64.58558 ?        ?        31.07511 14.92890 0.000000       14.92890 
1 1 1 17  20  19 o 129.2735 18.66485 444.4886       112.0201 0.000000       0.000000 444.4886       112.0201 ?        ?        129.2735 18.66485 0.000000       18.66485 
1 1 1 17  20  20 o 83.07245 23.29723 198.9794       96.24975 0.000000       0.000000 198.9794       96.24975 ?        ?        83.07245 23.29723 0.000000       23.29723 
1 1 1 17  20  21 o 58.93543 22.92921 80.15871       92.81541 0.000000       0.000000 80.15871       92.81541 ?        ?        58.93543 22.92921 0.000000       22.92921 
1 1 1 17  20  22 o 79.60223 25.86125 193.4572       112.6631 0.000000       0.000000 193.4572       112.6631 ?        ?        79.60223 25.86125 0.000000       25.86125 
1 1 1 17  20  23 o 96.23793 24.74726 282.1826       114.4959 -97.91308      380.1246 320.1076       120.0721 71.75408 34.88904 102.7396 24.74220 -30.98557      42.77174 
1 1 1 17  21  0  o 89.28959 22.79291 222.9058       97.61755 0.000000       0.000000 222.9058       97.61755 ?        ?        89.28959 22.79291 0.000000       22.79291 
1 1 1 17  21  1  o 55.87697 22.87969 48.38168       97.29360 0.000000       0.000000 48.38168       97.29360 ?        ?        55.87697 22.87969 0.000000       22.87969 
1 1 1 17  21  2  o 164.2175 16.67891 692.2373       129.1323 0.000000       0.000000 692.2373       129.1323 ?        ?        164.2175 16.67891 0.000000       16.67891 
1 1 1 17  21  3  o 104.1670 19.32825 288.2038       92.71358 0.000000       0.000000 288.2038       92.71358 ?        ?        104.1670 19.32825 0.000000       19.32825 
1 1 1 17  21  4  o 91.33671 20.24322 224.5704       86.07188 0.000000       0.000000 224.5704       86.07188 ?        ?        91.33671 20.24322 0.000000       20.24322 
1 1 1 17  21  5  o 68.14114 23.30066 120.4176       91.24500 0.000000       0.000000 120.4176       91.24500 ?        ?        68.14114 23.30066 0.000000       23.30066 
1 1 1 17  21  6  o 121.2436 13.92531 370.3715       79.25464 0.000000       0.000000 370.3715       79.25464 ?        ?        121.2436 13.92531 0.000000       13.92531 
1 1 1 17  21  7  o 59.55186 27.08967 -42.35020      168.9234 0.000000       0.000000 -42.35020      168.9234 ?        ?        59.55186 27.08967 0.000000       27.08967 
1 1 1 17  21  8  o 122.1945 18.68495 390.9275       105.6946 0.000000       0.000000 390.9275       105.6946 ?        ?        122.1945 18.68495 0.000000       18.68495 
1 1 1 17  21  9  o 39.15055 18.14150 -55.24981      80.71182 0.000000       0.000000 -55.24981      80.71182 ?        ?        39.15055 18.14150 0.000000       18.14150 
1 1 1 17  21  10 o 67.06557 20.14091 119.8820       69.74435 0.000000       0.000000 119.8820       69.74435 ?        ?        67.06557 20.14091 0.000000       20.14091 
1 1 1 17  21  11 o 75.35261 19.25293 152.6388       69.60567 0.000000       0.000000 152.6388       69.60567 ?        ?        75.35261 19.25293 0.000000       19.25293 
1 1 1 17  21  12 o 177.1947 14.23018 790.7823       119.5379 0.000000       0.000000 790.7823       119.5379 ?        ?        177.1947 14.23018 0.000000       14.23018 
1 1 1 17  21  13 o 134.8876 14.22831 460.6967       90.37508 0.000000       0.000000 460.6967       90.37508 ?        ?        134.8876 14.22831 0.000000       14.22831 
1 1 1 17  21  14 o 119.4555 17.34860 372.9398       96.18358 0.000000       0.000000 372.9398       96.18358 ?        ?        119.4555 17.34860 0.000000       17.34860 
1 1 1 17  21  15 o 91.76972 21.43056 233.3486       92.31225 0.000000       0.000000 233.3486       92.31225 ?        ?        91.76972 21.43056 0.000000       21.43056 
1 1 1 17  21  16 o 123.8180 15.84021 397.4131       91.62292 0.000000       0.000000 397.4131       91.62292 ?        ?        123.8180 15.84021 0.000000       15.84021 
1 1 1 17  21  17 o 51.10094 19.88212 53.22856       69.78849 0.000000       0.000000 53.22856       69.78849 ?        ?        51.10094 19.88212 0.000000       19.88212 
1 1 1 17  21  18 f 167.9995 15.94420 734.3188       126.5287 0.000000       0.000000 734.3188       126.5287 ?        ?        167.9995 15.94420 0.000000       15.94420 
1 1 1 17  21  19 o 81.43494 20.55655 187.5525       80.02880 0.000000       0.000000 187.5525       80.02880 ?        ?        81.43494 20.55655 0.000000       20.55655 
1 1 1 17  21  20 o 74.63224 26.85808 167.1706       122.2774 0.000000       0.000000 167.1706       122.2774 ?        ?        74.63224 26.85808 0.000000       26.85808 
1 1 1 17  22  3  o 79.44353 29.28253 180.4222       146.5908 0.000000       0.000000 180.4222       146.5908 ?        ?        79.44353 29.28253 0.000000       29.28253 
1 1 1 17  22  4  o 41.05831 17.19732 14.98520       56.71773 0.000000       0.000000 14.98520       56.71773 ?        ?        41.05831 17.19732 0.000000       17.19732 
1 1 1 17  22  5  o 62.54703 18.85072 104.8303       61.01583 0.000000       0.000000 104.8303       61.01583 ?        ?        62.54703 18.85072 0.000000       18.85072 
1 1 1 17  22  6  o 37.59284 17.63468 -66.10526      80.10920 0.000000       0.000000 -66.10526      80.10920 ?        ?        37.59284 17.63468 0.000000       17.63468 
1 1 1 17  22  7  o 82.76321 22.36948 192.6328       90.60376 0.000000       0.000000 192.6328       90.60376 ?        ?        82.76321 22.36948 0.000000       22.36948 
1 1 1 17  22  8  o 73.54086 24.51316 150.9473       100.9815 0.000000       0.000000 150.9473       100.9815 ?        ?        73.54086 24.51316 0.000000       24.51316 
1 1 1 17  22  9  f 95.08544 39.18435 300.7437       287.7352 0.000000       0.000000 300.7437       287.7352 ?        ?        95.08544 39.18435 0.000000       39.18435 
1 1 1 17  22  10 o 82.44701 19.08191 185.0983       73.72552 0.000000       0.000000 185.0983       73.72552 ?        ?        82.44701 19.08191 0.000000       19.08191 
1 1 1 17  22  11 o 43.21051 17.39560 28.63099       55.14153 0.000000       0.000000 28.63099       55.14153 ?        ?        43.21051 17.39560 0.000000       17.39560 
1 1 1 17  22  12 o 128.5293 15.56445 427.8484       93.69492 0.000000       0.000000 427.8484       93.69492 ?        ?        128.5293 15.56445 0.000000       15.56445 
1 1 1 17  22  13 o 74.36344 23.22186 157.6308       91.56969 0.000000       0.000000 157.6308       91.56969 ?        ?        74.36344 23.22186 0.000000       23.22186 
1 1 1 17  22  14 o 49.21434 20.93868 23.46959       86.24751 0.000000       0.000000 23.46959       86.24751 ?        ?        49.21434 20.93868 0.000000       20.93868 
1 1 1 17  22  15 o 72.87789 18.00998 145.3772       62.38437 0.000000       0.000000 145.3772       62.38437 ?        ?        72.87789 18.00998 0.000000       18.00998 
1 1 1 17  22  16 o 120.8887 15.23114 381.1900       86.07932 0.000000       0.000000 381.1900       86.07932 ?        ?        120.8887 15.23114 0.000000       15.23114 
1 1 1 18  -3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  -1  18 o 32.90522 14.25270 0.8285742      41.32457 -59.77825      56.63478 69.83839       60.43352 30.16220 14.34987 52.35480 18.87645 -22.19261      23.71158 
1 1 1 18  -1  19 o 83.28208 16.90128 190.9174       64.99208 193.2395       94.21024 188.8087       89.77541 79.41207 23.29985 78.96233 22.62152 0.4497375      32.47486 
1 1 1 18  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0   17 o 48.93681 20.84793 21.92602       85.69755 0.000000       0.000000 21.92602       85.69755 ?        ?        48.93681 20.84793 0.000000       20.84793 
1 1 1 18  0   18 o 56.98877 19.15480 85.66505       61.64338 54.32814       66.81187 265.0203       159.8389 50.50206 19.50703 89.91888 30.83666 -39.41682      36.48868 
1 1 1 18  0   19 o 48.75574 20.37688 33.16000       79.36787 50.10027       99.18764 3.006492       132.3325 54.66480 22.80799 54.55181 24.47166 0.1129913      33.45245 
1 1 1 18  0   20 o 61.18010 21.26745 103.6287       76.12675 96.01447       109.0360 110.8702       106.3338 62.00410 24.62904 64.12015 24.65071 -2.116051      34.84605 
1 1 1 18  0   21 o 55.37563 21.66622 73.52816       83.25049 156.1956       127.5733 12.21391       109.8685 71.24034 27.09592 50.91035 22.60281 20.32999       35.28563 
1 1 1 18  1   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1   15 f 64.46358 23.60565 102.5357       95.01080 0.000000       0.000000 102.5357       95.01080 ?        ?        64.46358 23.60565 0.000000       23.60565 
1 1 1 18  1   16 o 27.02669 12.32701 -20.14962      35.27453 0.000000       0.000000 -20.14962      35.27453 ?        ?        27.02669 12.32701 0.000000       12.32701 
1 1 1 18  1   17 o 44.18624 17.95119 28.02926       59.32494 43.78331       79.52601 8.262124       89.08098 51.41023 20.82129 48.16419 20.89372 3.246037       29.49701 
1 1 1 18  1   18 o 64.01036 19.56971 111.0629       65.43772 48.55233       93.59042 170.8511       91.52981 54.56371 22.40194 77.49516 23.02583 -22.93146      32.12531 
1 1 1 18  1   19 o 48.30204 19.54844 38.23748       70.04296 17.61380       87.19525 75.75333       117.6027 48.71996 20.89894 61.71596 25.19885 -12.99600      32.73756 
1 1 1 18  1   20 f 62.01990 22.77912 99.48800       88.57832 129.7437       117.7230 60.00587       134.4801 69.18778 26.09392 61.41418 26.13818 7.773598       36.93369 
1 1 1 18  1   21 o 124.6169 17.34839 416.8442       100.5596 529.3831       145.5211 313.9877       139.1203 135.0952 23.37676 99.05170 28.08981 36.04347       36.54463 
1 1 1 18  1   22 o 171.4059 20.80289 828.4412       166.9884 824.0289       221.0033 834.3120       254.9278 158.5656 30.25645 150.6496 35.90565 7.916061       46.95389 
1 1 1 18  1   23 o 62.58535 27.79490 60.93620       166.2721 -47.09595      217.4009 213.1890       258.0877 60.25863 28.50630 78.82382 34.83657 -18.56519      45.01328 
1 1 1 18  2   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2   13 o 81.03480 15.65129 169.0332       58.44065 0.000000       0.000000 169.0332       58.44065 ?        ?        81.03480 15.65129 0.000000       15.65129 
1 1 1 18  2   14 o 103.2011 8.846200 260.2752       43.22590 0.000000       0.000000 260.2752       43.22590 ?        ?        103.2011 8.846200 0.000000       8.846200 
1 1 1 18  2   15 o 86.31499 11.45854 185.8162       46.11810 0.000000       0.000000 185.8162       46.11810 ?        ?        86.31499 11.45854 0.000000       11.45854 
1 1 1 18  2   16 o 47.35003 16.11449 53.64455       43.63300 0.000000       0.000000 53.64455       43.63300 ?        ?        47.35003 16.11449 0.000000       16.11449 
1 1 1 18  2   17 o 95.74563 17.07365 240.0533       75.28769 163.6991       103.1856 326.9766       110.0958 76.81921 24.73244 109.4269 21.81037 -32.60767      32.97553 
1 1 1 18  2   18 o 44.13408 19.52459 -10.01534      81.26395 -41.90479      100.1448 51.46880       139.0549 45.32966 20.71139 62.59798 26.60825 -17.26832      33.71885 
1 1 1 18  2   19 f 70.61897 21.59080 137.6995       79.65129 159.2686       99.41654 99.03622       133.1041 75.13039 24.28429 67.20248 27.03644 7.927910       36.34138 
1 1 1 18  2   20 o 54.43810 22.33675 48.40122       92.97400 9.091290       121.3586 104.2553       144.6594 54.54137 24.00531 68.64893 27.97857 -14.10757      36.86536 
1 1 1 18  2   21 o 61.74112 24.22198 87.03989       104.2854 21.94065       115.1450 384.1464       245.9875 54.59544 23.71851 101.9523 37.86802 -47.35687      44.68282 
1 1 1 18  2   22 o 46.07108 21.33542 -52.42492      111.3806 -3.922603      122.0669 -293.6191      272.2075 52.61974 23.56186 58.15918 28.54262 -5.539440      37.01138 
1 1 1 18  2   23 o 51.01912 22.68047 5.332316       110.9859 8.444907       121.0301 -11.11997      278.2565 53.05795 23.62970 68.89156 32.48724 -15.83361      40.17192 
1 1 1 18  2   24 o 47.78907 23.33383 -197.8802      175.0659 -227.2913      221.8918 -149.3867      284.9230 52.96315 25.94666 62.29144 30.26916 -9.328293      39.86792 
1 1 1 18  3   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   11 o 118.2630 15.54265 352.8752       85.75337 0.000000       0.000000 352.8752       85.75337 ?        ?        118.2630 15.54265 0.000000       15.54265 
1 1 1 18  3   12 o 128.6830 9.106553 403.3452       55.66335 0.000000       0.000000 403.3452       55.66335 ?        ?        128.6830 9.106553 0.000000       9.106553 
1 1 1 18  3   13 o 80.08250 12.82219 161.2499       47.43607 0.000000       0.000000 161.2499       47.43607 ?        ?        80.08250 12.82219 0.000000       12.82219 
1 1 1 18  3   14 o 106.2098 11.36641 278.7459       56.81957 0.000000       0.000000 278.7459       56.81957 ?        ?        106.2098 11.36641 0.000000       11.36641 
1 1 1 18  3   15 o 52.47660 15.43913 70.07341       41.31727 0.000000       0.000000 70.07341       41.31727 ?        ?        52.47660 15.43913 0.000000       15.43913 
1 1 1 18  3   16 o 57.49440 16.45164 85.31763       47.50977 0.000000       0.000000 85.31763       47.50977 ?        ?        57.49440 16.45164 0.000000       16.45164 
1 1 1 18  3   17 o 107.8872 16.38253 298.7960       81.84775 410.2333       100.2047 75.41467       141.8719 126.4175 17.01086 67.13991 27.57516 59.27760       32.39998 
1 1 1 18  3   18 o 131.8726 14.83285 440.5515       91.89656 417.3430       112.4664 487.1758       159.4065 125.9539 19.29011 131.5175 26.27201 -5.563667      32.59336 
1 1 1 18  3   19 o 94.28410 20.89318 242.2779       91.70026 263.9158       109.9575 192.8575       166.1767 96.85579 23.89565 83.12409 31.07534 13.73170       39.20049 
1 1 1 18  3   20 o 74.37494 29.67386 134.2401       158.9638 -20.25115      207.6065 353.1807       247.1451 65.53181 29.89549 101.5845 37.91310 -36.05273      48.28192 
1 1 1 18  3   21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3   22 o 55.05957 22.97096 44.45634       100.5989 -73.15030      127.8822 235.3853       162.9409 48.28238 22.52884 86.80776 31.03221 -38.52539      38.34771 
1 1 1 18  3   23 f 70.13106 32.94144 -34.93112      281.1182 0.000000       0.000000 -34.93112      281.1182 ?        ?        70.13106 32.94144 0.000000       32.94144 
1 1 1 18  3   24 o 69.94785 29.92401 110.4208       177.8808 146.4848       222.8536 47.10310       295.2877 75.77589 32.95780 73.49484 34.27347 2.281044       47.54879 
1 1 1 18  3   25 o 80.98135 26.39476 208.6817       117.3090 147.7671       150.7674 302.1402       186.7483 71.28185 28.74039 90.34013 33.09249 -19.05828      43.83062 
1 1 1 18  4   0  o 159.1339 13.14883 625.1993       99.14446 0.000000       0.000000 625.1993       99.14446 ?        ?        159.1339 13.14883 0.000000       13.14883 
1 1 1 18  4   1  o 114.7418 12.09016 324.9323       65.32694 0.000000       0.000000 324.9323       65.32694 ?        ?        114.7418 12.09016 0.000000       12.09016 
1 1 1 18  4   2  o 107.3498 13.49828 286.9620       67.74886 0.000000       0.000000 286.9620       67.74886 ?        ?        107.3498 13.49828 0.000000       13.49828 
1 1 1 18  4   3  o 75.95529 15.63624 147.6500       54.88725 0.000000       0.000000 147.6500       54.88725 ?        ?        75.95529 15.63624 0.000000       15.63624 
1 1 1 18  4   4  o 73.94633 16.01845 140.4068       54.98912 0.000000       0.000000 140.4068       54.98912 ?        ?        73.94633 16.01845 0.000000       16.01845 
1 1 1 18  4   5  o 48.43613 16.93355 53.01606       48.29944 0.000000       0.000000 53.01606       48.29944 ?        ?        48.43613 16.93355 0.000000       16.93355 
1 1 1 18  4   6  o 25.71527 12.00748 -33.81102      36.43297 0.000000       0.000000 -33.81102      36.43297 ?        ?        25.71527 12.00748 0.000000       12.00748 
1 1 1 18  4   7  o 77.03056 23.48772 155.6187       94.34505 0.000000       0.000000 155.6187       94.34505 ?        ?        77.03056 23.48772 0.000000       23.48772 
1 1 1 18  4   8  o 164.3546 8.995315 655.2698       70.41218 0.000000       0.000000 655.2698       70.41218 ?        ?        164.3546 8.995315 0.000000       8.995315 
1 1 1 18  4   9  o 100.8007 11.45442 250.6023       54.22297 0.000000       0.000000 250.6023       54.22297 ?        ?        100.8007 11.45442 0.000000       11.45442 
1 1 1 18  4   10 o 101.8080 11.10237 255.1816       53.16419 0.000000       0.000000 255.1816       53.16419 ?        ?        101.8080 11.10237 0.000000       11.10237 
1 1 1 18  4   11 o 37.53479 14.29055 25.15977       35.50769 0.000000       0.000000 25.15977       35.50769 ?        ?        37.53479 14.29055 0.000000       14.29055 
1 1 1 18  4   12 o 47.11917 15.16235 53.98233       38.78438 0.000000       0.000000 53.98233       38.78438 ?        ?        47.11917 15.16235 0.000000       15.16235 
1 1 1 18  4   13 o 117.5044 9.999326 337.6694       55.64060 0.000000       0.000000 337.6694       55.64060 ?        ?        117.5044 9.999326 0.000000       9.999326 
1 1 1 18  4   14 o 154.3878 9.551788 580.5225       70.15747 0.000000       0.000000 580.5225       70.15747 ?        ?        154.3878 9.551788 0.000000       9.551788 
1 1 1 18  4   15 f 67.14233 16.46453 117.0231       52.43989 0.000000       0.000000 117.0231       52.43989 ?        ?        67.14233 16.46453 0.000000       16.46453 
1 1 1 18  4   16 o 197.0988 7.675847 939.6757       72.19175 1046.823       127.4121 889.0129       87.61213 205.8345 13.01407 191.0612 9.622405 14.77325       16.18508 
1 1 1 18  4   17 o 156.6212 12.54868 606.7019       93.17747 714.3566       122.0013 456.0050       144.3444 168.7086 15.29173 129.8817 24.13392 38.82686       28.57067 
1 1 1 18  4   18 o 69.93832 23.44890 126.5069       92.38412 136.6409       106.2924 95.20580       186.8055 72.77725 25.13910 75.15248 31.32409 -2.375229      40.16433 
1 1 1 18  4   19 o 101.8011 26.91811 295.3270       132.9899 339.2590       148.5275 117.6922       298.6621 108.3508 28.35071 86.27950 37.82629 22.07130       47.27145 
1 1 1 18  4   20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  4   21 o 135.6515 23.71928 511.4465       148.2296 566.8882       165.7019 289.3601       331.6426 141.5402 25.42148 96.52456 41.06296 45.01566       48.29512 
1 1 1 18  4   22 o 111.1880 22.85562 346.5639       117.4326 309.5295       143.0050 423.2483       205.7794 100.9508 28.42819 112.3508 34.76788 -11.40000      44.91066 
1 1 1 18  4   23 o 90.77984 33.45898 266.5602       191.3831 344.8998       231.0306 95.22955       341.6617 99.14305 36.72217 82.22646 37.82359 16.91659       52.71757 
1 1 1 18  4   24 o 75.89427 29.72879 161.1888       156.8899 -134.6300      236.4219 393.9643       209.7217 60.96234 29.09138 105.3419 35.33028 -44.37953      45.76612 
1 1 1 18  4   25 o 90.21051 34.15440 290.4184       202.1360 243.0568       242.4399 398.4177       366.1014 84.75056 35.53038 94.96966 41.75017 -10.21909      54.82230 
1 1 1 18  4   26 o 58.21892 24.97711 55.27356       124.5781 -18.96978      149.9801 220.4843       223.7298 54.70719 25.12644 80.49817 33.96209 -25.79098      42.24644 
1 1 1 18  5   0  o 252.8807 8.819198 1547.560       106.4604 0.000000       0.000000 1547.560       106.4604 ?        ?        252.8807 8.819198 0.000000       8.819198 
1 1 1 18  5   1  o 118.9989 13.49987 351.2349       75.44800 0.000000       0.000000 351.2349       75.44800 ?        ?        118.9989 13.49987 0.000000       13.49987 
1 1 1 18  5   2  o 171.6101 16.17413 734.8013       131.1353 0.000000       0.000000 734.8013       131.1353 ?        ?        171.6101 16.17413 0.000000       16.17413 
1 1 1 18  5   3  o 191.5946 10.01838 891.5560       91.44871 0.000000       0.000000 891.5560       91.44871 ?        ?        191.5946 10.01838 0.000000       10.01838 
1 1 1 18  5   4  o 112.8017 12.63725 314.1304       66.98154 0.000000       0.000000 314.1304       66.98154 ?        ?        112.8017 12.63725 0.000000       12.63725 
1 1 1 18  5   5  o 46.45301 18.24503 33.91288       59.22673 0.000000       0.000000 33.91288       59.22673 ?        ?        46.45301 18.24503 0.000000       18.24503 
1 1 1 18  5   6  o 205.2814 8.562067 1018.637       83.84593 0.000000       0.000000 1018.637       83.84593 ?        ?        205.2814 8.562067 0.000000       8.562067 
1 1 1 18  5   7  o 196.4783 9.437098 935.5825       88.38725 0.000000       0.000000 935.5825       88.38725 ?        ?        196.4783 9.437098 0.000000       9.437098 
1 1 1 18  5   8  o 112.4226 11.47347 310.3683       60.80397 0.000000       0.000000 310.3683       60.80397 ?        ?        112.4226 11.47347 0.000000       11.47347 
1 1 1 18  5   9  o 110.9563 11.72561 302.8487       61.26096 0.000000       0.000000 302.8487       61.26096 ?        ?        110.9563 11.72561 0.000000       11.72561 
1 1 1 18  5   10 o 59.59428 15.10486 90.86748       43.08470 0.000000       0.000000 90.86748       43.08470 ?        ?        59.59428 15.10486 0.000000       15.10486 
1 1 1 18  5   11 f 144.6836 10.43347 510.6779       71.68525 0.000000       0.000000 510.6779       71.68525 ?        ?        144.6836 10.43347 0.000000       10.43347 
1 1 1 18  5   12 o 210.7563 8.885863 1075.961       89.33321 0.000000       0.000000 1075.961       89.33321 ?        ?        210.7563 8.885863 0.000000       8.885863 
1 1 1 18  5   13 o 111.5465 11.09108 305.7604       58.36499 0.000000       0.000000 305.7604       58.36499 ?        ?        111.5465 11.09108 0.000000       11.09108 
1 1 1 18  5   14 o 93.62673 13.82296 219.9210       60.01576 0.000000       0.000000 219.9210       60.01576 ?        ?        93.62673 13.82296 0.000000       13.82296 
1 1 1 18  5   15 o 48.28094 16.03638 55.75620       43.22532 0.000000       0.000000 55.75620       43.22532 ?        ?        48.28094 16.03638 0.000000       16.03638 
1 1 1 18  5   16 o 79.76644 12.69483 159.7047       46.79142 243.8520       106.3275 139.4947       52.10836 94.95251 23.54025 73.71597 15.28753 21.23655       28.06870 
1 1 1 18  5   17 o 88.04083 23.50335 210.0987       100.7798 289.1071       113.8865 -75.10925      216.3797 103.3589 23.57126 65.93768 30.24590 37.42120       38.34605 
1 1 1 18  5   18 o 107.3756 19.49187 301.5529       96.37744 334.9174       100.6762 -64.29707      333.3777 113.3995 19.25789 80.51622 37.15399 32.88330       41.84836 
1 1 1 18  5   19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  5   20 o 98.20776 30.28717 281.7779       156.3151 355.1150       170.7211 -98.57571      388.7935 109.4004 31.14784 82.35421 38.70074 27.04620       49.67831 
1 1 1 18  5   21 o 42.18354 19.98128 -103.2074      107.4679 -166.7816      121.4528 126.1402       230.6824 41.35051 20.01514 80.70049 34.28593 -39.34998      39.70052 
1 1 1 18  5   22 f 71.67526 29.45201 106.0607       161.9416 -43.14426      221.2712 278.1636       237.6443 66.10804 30.41999 94.32397 36.69177 -28.21593      47.66195 
1 1 1 18  5   23 o 155.0255 31.75319 745.3460       227.4186 921.0510       272.9085 346.0762       411.3944 168.6704 34.99121 99.16528 43.89710 69.50513       56.13680 
1 1 1 18  5   24 o 63.20641 26.56312 67.32761       136.0207 110.8408       144.3121 -279.0352      407.1531 69.36477 28.06435 72.28865 35.35792 -2.923882      45.14189 
1 1 1 18  5   25 o 96.15107 32.61913 310.4532       178.7673 224.5934       252.8827 396.2213       252.7477 85.49261 36.09013 102.1154 38.29362 -16.62276      52.62032 
1 1 1 18  5   26 o 71.90164 30.15960 131.6601       174.8268 -3.378382      252.3558 256.2824       242.4278 67.84179 31.65280 85.69067 35.69774 -17.84888      47.70984 
1 1 1 18  5   27 o 55.77701 25.39497 -2.152171      148.8621 19.95777       158.9333 -160.2088      424.9398 58.88098 26.58076 71.06061 35.02809 -12.17963      43.97162 
1 1 1 18  6   0  o 274.3623 9.430514 1822.905       123.5156 0.000000       0.000000 1822.905       123.5156 ?        ?        274.3623 9.430514 0.000000       9.430514 
1 1 1 18  6   1  o 48.11253 19.41167 29.78628       68.82832 0.000000       0.000000 29.78628       68.82832 ?        ?        48.11253 19.41167 0.000000       19.41167 
1 1 1 18  6   2  o 116.2907 13.94318 335.4695       75.97648 0.000000       0.000000 335.4695       75.97648 ?        ?        116.2907 13.94318 0.000000       13.94318 
1 1 1 18  6   3  o 239.2845 9.213783 1384.931       105.2080 0.000000       0.000000 1384.931       105.2080 ?        ?        239.2845 9.213783 0.000000       9.213783 
1 1 1 18  6   4  o 129.5511 11.94723 411.4052       73.16447 0.000000       0.000000 411.4052       73.16447 ?        ?        129.5511 11.94723 0.000000       11.94723 
1 1 1 18  6   5  o 97.28275 12.29456 233.7773       55.90695 0.000000       0.000000 233.7773       55.90695 ?        ?        97.28275 12.29456 0.000000       12.29456 
1 1 1 18  6   6  o 201.0771 9.345663 978.6927       89.59659 0.000000       0.000000 978.6927       89.59659 ?        ?        201.0771 9.345663 0.000000       9.345663 
1 1 1 18  6   7  o 147.5202 11.54293 531.6378       80.76189 0.000000       0.000000 531.6378       80.76189 ?        ?        147.5202 11.54293 0.000000       11.54293 
1 1 1 18  6   8  o 58.89495 16.62937 88.10286       48.86593 0.000000       0.000000 88.10286       48.86593 ?        ?        58.89495 16.62937 0.000000       16.62937 
1 1 1 18  6   9  o 229.2667 9.099479 1271.298       99.54109 0.000000       0.000000 1271.298       99.54109 ?        ?        229.2667 9.099479 0.000000       9.099479 
1 1 1 18  6   10 o 123.6198 11.00917 373.6727       64.38557 0.000000       0.000000 373.6727       64.38557 ?        ?        123.6198 11.00917 0.000000       11.00917 
1 1 1 18  6   11 o 51.60080 16.02293 65.77087       43.66238 0.000000       0.000000 65.77087       43.66238 ?        ?        51.60080 16.02293 0.000000       16.02293 
1 1 1 18  6   12 o 33.50755 14.07751 5.035920       38.18456 0.000000       0.000000 5.035920       38.18456 ?        ?        33.50755 14.07751 0.000000       14.07751 
1 1 1 18  6   13 f 258.6160 9.168324 1619.738       113.1791 0.000000       0.000000 1619.738       113.1791 ?        ?        258.6160 9.168324 0.000000       9.168324 
1 1 1 18  6   14 f 265.4340 9.219404 1707.250       116.8175 0.000000       0.000000 1707.250       116.8175 ?        ?        265.4340 9.219404 0.000000       9.219404 
1 1 1 18  6   15 o 143.4925 11.06827 504.1577       75.34428 0.000000       0.000000 504.1577       75.34428 ?        ?        143.4925 11.06827 0.000000       11.06827 
1 1 1 18  6   16 o 127.5061 11.58579 399.8827       69.85571 505.4795       149.5435 370.4095       79.00525 138.0976 23.49060 121.9632 13.79101 16.13440       27.23968 
1 1 1 18  6   17 o 190.3977 20.06392 931.8579       179.8933 931.8579       179.8933 0.000000       0.000000 190.3977 20.06392 ?        ?        0.000000       20.06392 
1 1 1 18  6   18 o 111.3265 24.74250 337.5169       128.2741 418.8361       153.2994 147.6278       234.2577 123.1492 26.80056 85.82332 35.36056 37.32591       44.36935 
1 1 1 18  6   19 o 58.93748 25.28303 20.33951       127.6262 -39.03912      154.4014 148.4207       226.7665 58.17828 26.23718 84.94977 34.87325 -26.77149      43.64095 
1 1 1 18  6   20 o 143.4258 22.48425 547.1707       149.1116 570.5709       164.2144 437.2223       355.9555 145.1777 24.53255 115.0725 44.86522 30.10522       51.13447 
1 1 1 18  6   21 o 198.7083 20.23792 1030.435       189.5802 933.8508       220.5686 1303.554       370.9081 184.5568 25.69370 202.0009 39.82265 -17.44417      47.39209 
1 1 1 18  6   22 o 68.38026 30.21930 25.83171       194.1811 -81.38073      228.7413 302.4123       367.3947 65.46284 30.40509 100.4278 42.98536 -34.96500      52.65178 
1 1 1 18  6   23 o 71.81415 31.80472 48.39899       216.2077 67.75011       254.0371 -2.451533      411.8053 76.80365 34.21777 84.35422 39.69954 -7.550568      52.41096 
1 1 1 18  6   24 o 57.78971 26.82055 -66.56390      177.4626 -96.78408      192.4603 104.9805       458.5438 58.12767 27.28848 88.88861 41.85163 -30.76094      49.96218 
1 1 1 18  6   25 o 132.1810 26.31788 513.0323       160.4660 404.9253       190.9519 772.8674       296.0369 110.0982 33.38363 142.9283 41.12010 -32.83009      52.96536 
1 1 1 18  6   26 o 76.62363 32.56781 147.7808       208.2951 272.9760       297.4066 27.24450       291.8204 89.38078 38.47242 73.87753 34.32334 15.50325       51.55791 
1 1 1 18  6   27 o 65.18201 29.87426 21.13784       210.4990 267.5806       298.9920 -221.0600      296.4058 85.88478 37.74408 61.95090 30.27302 23.93388       48.38461 
1 1 1 18  6   28 o 82.32610 36.03366 254.6241       270.0340 361.9958       321.4575 -2.780877      497.7224 88.91220 39.10333 76.76914 37.85484 12.14306       54.42480 
1 1 1 18  7   0  o 130.9008 12.94574 421.9831       79.95742 0.000000       0.000000 421.9831       79.95742 ?        ?        130.9008 12.94574 0.000000       12.94574 
1 1 1 18  7   1  o 164.2807 11.53271 658.5740       90.00327 0.000000       0.000000 658.5740       90.00327 ?        ?        164.2807 11.53271 0.000000       11.53271 
1 1 1 18  7   2  o 110.2261 12.95608 299.9922       66.97353 0.000000       0.000000 299.9922       66.97353 ?        ?        110.2261 12.95608 0.000000       12.95608 
1 1 1 18  7   3  o 145.3481 11.25441 515.3523       77.59721 0.000000       0.000000 515.3523       77.59721 ?        ?        145.3481 11.25441 0.000000       11.25441 
1 1 1 18  7   4  o 126.6370 12.82465 394.3427       76.57595 0.000000       0.000000 394.3427       76.57595 ?        ?        126.6370 12.82465 0.000000       12.82465 
1 1 1 18  7   5  o 203.2114 9.887687 1000.446       95.77357 0.000000       0.000000 1000.446       95.77357 ?        ?        203.2114 9.887687 0.000000       9.887687 
1 1 1 18  7   6  o 180.0094 10.37441 786.6158       88.90441 0.000000       0.000000 786.6158       88.90441 ?        ?        180.0094 10.37441 0.000000       10.37441 
1 1 1 18  7   7  o 215.9443 9.195889 1127.509       94.72147 0.000000       0.000000 1127.509       94.72147 ?        ?        215.9443 9.195889 0.000000       9.195889 
1 1 1 18  7   8  o 94.03493 14.07369 220.6145       61.32861 0.000000       0.000000 220.6145       61.32861 ?        ?        94.03493 14.07369 0.000000       14.07369 
1 1 1 18  7   9  o 137.6709 11.06686 462.3911       72.22766 0.000000       0.000000 462.3911       72.22766 ?        ?        137.6709 11.06686 0.000000       11.06686 
1 1 1 18  7   10 o 228.6066 9.326519 1264.250       101.7194 0.000000       0.000000 1264.250       101.7194 ?        ?        228.6066 9.326519 0.000000       9.326519 
1 1 1 18  7   11 o 36.36887 15.02460 10.47948       42.44353 0.000000       0.000000 10.47948       42.44353 ?        ?        36.36887 15.02460 0.000000       15.02460 
1 1 1 18  7   12 o 156.5984 10.64611 597.1848       79.23129 0.000000       0.000000 597.1848       79.23129 ?        ?        156.5984 10.64611 0.000000       10.64611 
1 1 1 18  7   13 o 212.3492 9.839192 1093.813       99.61766 0.000000       0.000000 1093.813       99.61766 ?        ?        212.3492 9.839192 0.000000       9.839192 
1 1 1 18  7   14 o 123.7330 13.17022 378.6227       76.71310 0.000000       0.000000 378.6227       76.71310 ?        ?        123.7330 13.17022 0.000000       13.17022 
1 1 1 18  7   15 o 197.1785 11.50324 950.2955       107.9687 0.000000       0.000000 950.2955       107.9687 ?        ?        197.1785 11.50324 0.000000       11.50324 
1 1 1 18  7   16 o 91.96478 21.14109 223.4008       91.00433 227.5065       104.4002 210.4111       185.6992 92.05360 23.61010 90.32189 33.01320 1.731705       40.58704 
1 1 1 18  7   17 o 181.2896 19.66303 841.0612       167.6987 800.3109       186.0896 1017.195       386.8817 174.8773 22.80008 176.3527 45.56388 -1.475388      50.95008 
1 1 1 18  7   18 o 59.72446 25.40577 26.12444       126.9341 106.5719       146.5951 -214.8983      253.7420 72.74670 28.66400 63.99871 30.42678 8.747990       41.80208 
1 1 1 18  7   19 o 135.8737 19.08055 476.0590       120.5360 477.0735       125.3114 463.5048       440.8305 135.5895 19.92492 119.2533 48.75091 16.33616       52.66549 
1 1 1 18  7   20 o 46.26620 20.52552 -18.27107      90.43229 -40.86881      98.25513 106.9289       231.2730 45.79955 20.76532 81.49701 34.46401 -35.69746      40.23638 
1 1 1 18  7   21 o 136.0790 24.76735 504.4040       155.1967 474.1984       193.1885 559.3711       260.6090 126.8872 31.88808 132.1607 38.74584 -5.273537      50.18057 
1 1 1 18  7   22 o 57.10869 26.42309 -81.18552      170.2634 -262.5172      230.6999 135.7408       252.3287 57.15313 27.64516 84.09257 35.79750 -26.93944      45.22959 
1 1 1 18  7   23 o 107.5080 28.51591 341.2757       148.9511 367.4131       159.2256 158.1345       421.4780 110.9041 29.51354 93.32436 42.58282 17.57979       51.81067 
1 1 1 18  7   24 o 112.6774 36.85387 435.3098       228.6012 404.6270       275.0057 503.9220       411.2391 106.1365 39.91402 110.2299 46.24762 -4.093376      61.08987 
1 1 1 18  7   25 o 42.11974 20.82798 -283.3171      154.4432 -307.0892      165.9122 -128.9876      422.7353 43.32792 21.45454 78.38846 37.79449 -35.06054      43.45942 
1 1 1 18  7   26 o 60.54222 27.20974 4.377595       164.4510 51.62910       177.6165 -279.3756      435.2570 66.21582 29.09591 73.52817 36.08668 -7.312347      46.35537 
1 1 1 18  7   27 o 74.14110 33.75040 81.61683       262.7954 98.53755       312.4788 40.73144       485.7303 77.85782 35.94272 82.39808 39.91784 -4.540260      53.71511 
1 1 1 18  7   28 o 69.71643 32.58143 31.07679       269.1917 -24.22635      310.3576 199.0522       540.8917 69.77946 33.30786 84.33051 41.14064 -14.55105      52.93360 
1 1 1 18  7   29 o 57.45003 27.02391 -43.70758      190.3883 84.63496       233.4898 -298.3427      328.8832 69.02148 31.56985 60.46693 29.98778 8.554550       43.54219 
1 1 1 18  8   0  o 62.35335 24.21301 70.48250       103.3473 0.000000       0.000000 70.48250       103.3473 ?        ?        62.35335 24.21301 0.000000       24.21301 
1 1 1 18  8   1  o 349.9500 9.004159 2956.987       150.5208 0.000000       0.000000 2956.987       150.5208 ?        ?        349.9500 9.004159 0.000000       9.004159 
1 1 1 18  8   2  o 92.58057 18.42556 219.5419       78.68563 0.000000       0.000000 219.5419       78.68563 ?        ?        92.58057 18.42556 0.000000       18.42556 
1 1 1 18  8   3  o 47.57495 18.25305 39.69192       58.22094 0.000000       0.000000 39.69192       58.22094 ?        ?        47.57495 18.25305 0.000000       18.25305 
1 1 1 18  8   4  o 261.2172 9.684210 1650.294       120.7318 0.000000       0.000000 1650.294       120.7318 ?        ?        261.2172 9.684210 0.000000       9.684210 
1 1 1 18  8   5  o 312.3348 8.775158 2353.668       130.9040 0.000000       0.000000 2353.668       130.9040 ?        ?        312.3348 8.775158 0.000000       8.775158 
1 1 1 18  8   6  o 65.79890 19.04385 110.2098       63.31900 0.000000       0.000000 110.2098       63.31900 ?        ?        65.79890 19.04385 0.000000       19.04385 
1 1 1 18  8   7  o 74.15656 17.66808 141.2160       61.74373 0.000000       0.000000 141.2160       61.74373 ?        ?        74.15656 17.66808 0.000000       17.66808 
1 1 1 18  8   8  o 54.54739 17.68468 71.90098       52.69932 0.000000       0.000000 71.90098       52.69932 ?        ?        54.54739 17.68468 0.000000       17.68468 
1 1 1 18  8   9  o 61.94565 18.09831 97.14966       56.94611 0.000000       0.000000 97.14966       56.94611 ?        ?        61.94565 18.09831 0.000000       18.09831 
1 1 1 18  8   10 o 215.0689 9.975196 1120.643       102.2876 0.000000       0.000000 1120.643       102.2876 ?        ?        215.0689 9.975196 0.000000       9.975196 
1 1 1 18  8   11 o 42.62887 17.42876 18.50391       56.35102 0.000000       0.000000 18.50391       56.35102 ?        ?        42.62887 17.42876 0.000000       17.42876 
1 1 1 18  8   12 o 98.28412 16.47953 244.2513       74.69640 0.000000       0.000000 244.2513       74.69640 ?        ?        98.28412 16.47953 0.000000       16.47953 
1 1 1 18  8   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  8   14 o 221.0049 10.48098 1186.876       110.4265 0.000000       0.000000 1186.876       110.4265 ?        ?        221.0049 10.48098 0.000000       10.48098 
1 1 1 18  8   15 o 116.7972 14.10838 339.5177       77.18594 0.000000       0.000000 339.5177       77.18594 ?        ?        116.7972 14.10838 0.000000       14.10838 
1 1 1 18  8   16 o 177.1709 12.38862 770.6537       104.2746 0.000000       0.000000 770.6537       104.2746 ?        ?        177.1709 12.38862 0.000000       12.38862 
1 1 1 18  8   17 o 111.6405 12.87186 309.1249       67.44607 533.0311       117.5956 199.3653       82.33406 145.1913 17.27974 87.08187 20.17262 58.10947       26.56170 
1 1 1 18  8   18 o 113.7634 18.76906 333.7105       98.52619 364.3185       111.8592 227.7867       208.0899 118.1751 20.54412 93.28461 34.79404 24.89045       40.40651 
1 1 1 18  8   19 o 46.78801 20.70356 -17.00891      91.42673 -19.86829      95.01392 18.72861       335.9028 47.37366 21.02672 85.96130 38.73887 -38.58764      44.07747 
1 1 1 18  8   20 o 76.34921 24.61177 154.0479       102.1600 168.9192       109.3206 51.55696       286.9927 79.49347 25.44380 82.96928 36.69900 -3.475807      44.65650 
1 1 1 18  8   21 o 72.32281 29.21484 98.48253       156.1092 187.3261       184.7417 -123.3679      291.9322 85.84521 32.61707 72.84422 34.00584 13.00098       47.11974 
1 1 1 18  8   22 o 72.22659 31.24952 52.51507       198.2092 80.34811       216.0429 -95.49848      498.2078 76.69998 32.89873 90.66359 42.96763 -13.96361      54.11602 
1 1 1 18  8   23 o 72.60863 28.54710 120.0152       145.1228 66.89364       152.1106 658.6663       484.3709 66.95842 28.11203 123.8349 50.91589 -56.87651      58.16110 
1 1 1 18  8   24 o 56.14989 26.57773 -133.7134      189.4897 -4.583251      258.9177 -282.6466      278.0632 72.75215 33.26422 61.66683 29.95110 11.08532       44.76133 
1 1 1 18  8   25 o 59.25105 27.81541 -97.07640      199.9512 -28.79211      279.4629 -168.6953      286.2052 72.22361 33.56646 66.26426 31.72625 5.959351       46.18724 
1 1 1 18  8   26 o 53.45518 24.79544 -62.98468      151.3633 28.39767       176.8014 -313.7845      292.8992 64.40975 28.63005 60.89001 29.82597 3.519737       41.34330 
1 1 1 18  8   27 o 47.08533 22.70909 -161.0526      152.9105 -124.2008      184.8587 -240.9014      272.1100 54.38918 25.89001 60.27105 29.35367 -5.881866      39.13988 
1 1 1 18  8   28 o 69.16811 29.12262 116.5292       163.9755 134.1901       201.3642 81.76470       282.5159 73.10318 31.56266 73.94963 34.15188 -0.8464508     46.50325 
1 1 1 18  8   29 o 73.39511 29.67710 167.9072       161.2653 -1.936847      193.3544 556.0679       292.3038 60.67860 28.10385 106.4411 40.88350 -45.76251      49.61136 
1 1 1 18  9   0  o 78.52780 24.83281 158.1936       104.3936 0.000000       0.000000 158.1936       104.3936 ?        ?        78.52780 24.83281 0.000000       24.83281 
1 1 1 18  9   1  o 283.7907 9.499525 1947.085       128.7051 0.000000       0.000000 1947.085       128.7051 ?        ?        283.7907 9.499525 0.000000       9.499525 
1 1 1 18  9   2  o 106.7964 15.58320 285.3396       77.22158 0.000000       0.000000 285.3396       77.22158 ?        ?        106.7964 15.58320 0.000000       15.58320 
1 1 1 18  9   3  o 144.2604 13.26453 511.0621       90.46109 0.000000       0.000000 511.0621       90.46109 ?        ?        144.2604 13.26453 0.000000       13.26453 
1 1 1 18  9   4  o 152.5257 20.56055 590.4889       146.1142 0.000000       0.000000 590.4889       146.1142 ?        ?        152.5257 20.56055 0.000000       20.56055 
1 1 1 18  9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9   8  o 180.6320 29.87083 872.0349       248.9504 0.000000       0.000000 872.0349       248.9504 ?        ?        180.6320 29.87083 0.000000       29.87083 
1 1 1 18  9   9  o 125.8058 13.22581 389.6544       78.36008 0.000000       0.000000 389.6544       78.36008 ?        ?        125.8058 13.22581 0.000000       13.22581 
1 1 1 18  9   10 o 97.12127 15.33660 236.5813       68.85081 0.000000       0.000000 236.5813       68.85081 ?        ?        97.12127 15.33660 0.000000       15.33660 
1 1 1 18  9   11 o 322.9860 14.06161 2554.658       216.6134 0.000000       0.000000 2554.658       216.6134 ?        ?        322.9860 14.06161 0.000000       14.06161 
1 1 1 18  9   12 o 72.13770 19.63540 134.3510       69.51852 0.000000       0.000000 134.3510       69.51852 ?        ?        72.13770 19.63540 0.000000       19.63540 
1 1 1 18  9   13 o 22.78046 10.74504 -33.66785      30.47091 0.000000       0.000000 -33.66785      30.47091 ?        ?        22.78046 10.74504 0.000000       10.74504 
1 1 1 18  9   14 o 49.33925 18.66830 45.98527       60.36667 0.000000       0.000000 45.98527       60.36667 ?        ?        49.33925 18.66830 0.000000       18.66830 
1 1 1 18  9   15 o 259.7287 9.971478 1636.445       123.5892 0.000000       0.000000 1636.445       123.5892 ?        ?        259.7287 9.971478 0.000000       9.971478 
1 1 1 18  9   16 o 218.5271 13.95968 1177.621       145.0816 0.000000       0.000000 1177.621       145.0816 ?        ?        218.5271 13.95968 0.000000       13.95968 
1 1 1 18  9   17 o 71.48795 20.50512 133.3391       73.71986 -39.74348      179.1916 168.6019       80.88162 63.22230 28.40958 79.95519 20.92130 -16.73289      35.28179 
1 1 1 18  9   18 o 44.82357 21.69577 -204.1223      142.6864 -201.9820      168.5168 -209.5430      268.1873 50.37206 24.17731 66.63367 31.56331 -16.26161      39.75908 
1 1 1 18  9   19 o 107.1242 22.81632 306.7659       113.2712 303.9934       116.6296 352.8374       475.4330 106.2882 23.56982 113.9523 48.83912 -7.664116      54.22911 
1 1 1 18  9   20 o 102.4664 22.51155 281.3912       107.2603 328.2024       121.5468 116.6387       228.0262 110.2522 23.76059 82.42889 34.50078 27.82333       41.89116 
1 1 1 18  9   21 o 71.41590 29.68516 77.38384       167.1070 54.38725       186.6740 170.1511       374.9293 71.65161 30.65384 97.03294 42.46536 -25.38133      52.37333 
1 1 1 18  9   22 o 64.31052 24.52270 89.37039       104.6611 129.0519       118.1506 -55.24739      225.5552 72.34940 26.35010 67.92018 31.05201 4.429222       40.72536 
1 1 1 18  9   23 o 78.80996 33.20803 114.7816       213.4729 131.6292       231.8796 21.12320       546.7214 81.90202 34.56584 95.59253 45.21683 -13.69051      56.91537 
1 1 1 18  9   24 o 64.15810 27.46477 48.05375       150.0202 86.61756       156.0565 -421.7166      544.6714 69.12748 28.70640 80.76831 39.78326 -11.64083      49.05879 
1 1 1 18  9   25 o 68.89806 30.92233 23.31719       211.5750 89.01098       274.9153 -72.11589      331.3495 79.15398 35.40764 74.96782 35.38269 4.186157       50.05632 
1 1 1 18  9   26 f 89.91426 34.79275 259.1377       212.8246 462.3444       298.5132 49.07398       303.5079 108.5233 41.40693 77.71664 35.71252 30.80663       54.68015 
1 1 1 18  9   27 o 82.65275 34.35295 200.1016       223.7639 296.4260       319.9997 107.9357       313.0158 92.03873 39.76350 80.09162 36.60280 11.94711       54.04536 
1 1 1 18  9   28 o 56.22985 27.28428 -194.9162      229.2968 -251.0971      329.7354 -142.3087      319.0764 64.24844 31.50714 67.03960 32.44767 -2.791168      45.22776 
1 1 1 18  9   29 o 51.84654 25.64487 -304.3459      234.7189 -363.2361      340.5916 -251.0795      323.9209 60.44242 30.06672 62.18531 30.63960 -1.742897      42.92776 
1 1 1 18  10  0  o 83.67210 20.77607 182.3846       82.72762 0.000000       0.000000 182.3846       82.72762 ?        ?        83.67210 20.77607 0.000000       20.77607 
1 1 1 18  10  1  o 306.3681 10.64841 2275.149       155.7313 0.000000       0.000000 2275.149       155.7313 ?        ?        306.3681 10.64841 0.000000       10.64841 
1 1 1 18  10  2  o 239.3809 10.58786 1389.374       120.8733 0.000000       0.000000 1389.374       120.8733 ?        ?        239.3809 10.58786 0.000000       10.58786 
1 1 1 18  10  3  o 56.18030 18.69900 75.01437       58.76400 0.000000       0.000000 75.01437       58.76400 ?        ?        56.18030 18.69900 0.000000       18.69900 
1 1 1 18  10  4  o 315.6507 10.10763 2410.294       152.3366 0.000000       0.000000 2410.294       152.3366 ?        ?        315.6507 10.10763 0.000000       10.10763 
1 1 1 18  10  5  o 140.5301 14.23734 486.9169       94.33636 0.000000       0.000000 486.9169       94.33636 ?        ?        140.5301 14.23734 0.000000       14.23734 
1 1 1 18  10  6  o 163.7947 11.78693 654.0981       91.68433 0.000000       0.000000 654.0981       91.68433 ?        ?        163.7947 11.78693 0.000000       11.78693 
1 1 1 18  10  7  o 59.22454 21.41460 75.83414       77.84668 0.000000       0.000000 75.83414       77.84668 ?        ?        59.22454 21.41460 0.000000       21.41460 
1 1 1 18  10  8  o 65.72846 17.27662 110.4565       54.99337 0.000000       0.000000 110.4565       54.99337 ?        ?        65.72846 17.27662 0.000000       17.27662 
1 1 1 18  10  9  o 112.7520 14.23053 315.1911       75.00500 0.000000       0.000000 315.1911       75.00500 ?        ?        112.7520 14.23053 0.000000       14.23053 
1 1 1 18  10  10 o 157.0400 11.97867 602.2206       89.25603 0.000000       0.000000 602.2206       89.25603 ?        ?        157.0400 11.97867 0.000000       11.97867 
1 1 1 18  10  11 o 74.67896 19.93556 144.1804       72.50710 0.000000       0.000000 144.1804       72.50710 ?        ?        74.67896 19.93556 0.000000       19.93556 
1 1 1 18  10  12 o 102.5937 16.51493 265.4505       78.25475 0.000000       0.000000 265.4505       78.25475 ?        ?        102.5937 16.51493 0.000000       16.51493 
1 1 1 18  10  13 o 116.8731 13.59133 337.9348       74.52746 0.000000       0.000000 337.9348       74.52746 ?        ?        116.8731 13.59133 0.000000       13.59133 
1 1 1 18  10  14 o 266.8252 10.43694 1727.732       132.8831 0.000000       0.000000 1727.732       132.8831 ?        ?        266.8252 10.43694 0.000000       10.43694 
1 1 1 18  10  15 o 104.1871 16.56690 274.7830       79.76095 0.000000       0.000000 274.7830       79.76095 ?        ?        104.1871 16.56690 0.000000       16.56690 
1 1 1 18  10  16 o 135.4430 13.65864 454.2216       87.23801 0.000000       0.000000 454.2216       87.23801 ?        ?        135.4430 13.65864 0.000000       13.65864 
1 1 1 18  10  17 o 154.2258 11.97360 583.8218       87.59451 306.6894       198.4858 650.8497       97.61435 104.0845 34.35620 162.6448 12.65298 -58.56026      36.61211 
1 1 1 18  10  18 o 73.56508 28.65325 111.6190       145.0695 36.68367       194.1005 206.4502       218.3528 71.88692 31.01258 91.67255 35.30317 -19.78564      46.99036 
1 1 1 18  10  19 o 194.6087 19.57935 969.0532       179.6935 997.3074       196.2030 822.0432       447.5454 196.3365 21.24020 149.7052 51.58985 46.63129       55.79121 
1 1 1 18  10  20 o 55.91637 23.20760 34.85255       101.9181 -14.77488      108.4972 407.2240       297.1980 51.18431 22.60567 114.4354 41.77409 -63.25109      47.49833 
1 1 1 18  10  21 o 116.1809 32.42217 396.0772       186.9026 473.7798       199.6405 -155.1985      531.7594 127.0330 32.68429 92.86784 44.12191 34.16521       54.90907 
1 1 1 18  10  22 o 57.49050 23.90365 39.51671       108.3978 98.64410       121.0306 -200.1928      243.6932 67.89734 26.24726 62.47886 29.73658 5.418480       39.66336 
1 1 1 18  10  23 o 110.7801 30.28858 362.8965       164.9871 342.9294       218.5809 389.3365       251.5265 104.7501 36.05563 109.5342 38.61547 -4.784042      52.83146 
1 1 1 18  10  24 o 88.65668 30.26257 231.1693       153.9026 236.0162       165.4758 200.1095       418.8892 89.35048 31.33555 95.15279 43.03508 -5.802307      53.23471 
1 1 1 18  10  25 o 51.49713 24.01954 -81.59309      145.1382 -130.6590      159.7239 150.8478       347.6454 50.97128 24.20652 87.37852 39.39095 -36.40724      46.23421 
1 1 1 18  10  26 o 70.32283 31.63197 35.38021       222.7720 -59.59652      286.1512 181.5101       354.9414 70.83939 33.26180 87.87516 39.69121 -17.03577      51.78551 
1 1 1 18  10  27 o 75.70789 33.81458 94.20195       249.7211 -5.301820      309.7855 278.8427       421.9929 74.31271 34.80156 92.52532 42.36591 -18.21261      54.82717 
1 1 1 18  10  28 o 70.27486 33.09898 -12.97018      287.2428 -150.4196      330.0814 415.8677       583.0370 67.84895 32.87824 93.77918 45.00102 -25.93024      55.73214 
1 1 1 18  10  29 o 61.71999 30.11857 -186.7287      290.4755 -200.0797      340.8883 -151.3361      555.0234 65.18275 31.97968 76.17238 37.97058 -10.98963      49.64338 
1 1 1 18  11  0  o 252.1065 12.23963 1550.036       147.0825 0.000000       0.000000 1550.036       147.0825 ?        ?        252.1065 12.23963 0.000000       12.23963 
1 1 1 18  11  1  o 141.4938 12.60511 490.9375       84.37743 0.000000       0.000000 490.9375       84.37743 ?        ?        141.4938 12.60511 0.000000       12.60511 
1 1 1 18  11  2  o 198.5763 11.55472 959.7468       109.2232 0.000000       0.000000 959.7468       109.2232 ?        ?        198.5763 11.55472 0.000000       11.55472 
1 1 1 18  11  3  o 102.5446 19.28269 269.1336       91.06502 0.000000       0.000000 269.1336       91.06502 ?        ?        102.5446 19.28269 0.000000       19.28269 
1 1 1 18  11  4  o 157.6875 12.99844 609.1027       97.12397 0.000000       0.000000 609.1027       97.12397 ?        ?        157.6875 12.99844 0.000000       12.99844 
1 1 1 18  11  5  o 76.57248 17.67367 150.3320       63.38868 0.000000       0.000000 150.3320       63.38868 ?        ?        76.57248 17.67367 0.000000       17.67367 
1 1 1 18  11  6  o 182.7048 11.33681 811.9265       98.53815 0.000000       0.000000 811.9265       98.53815 ?        ?        182.7048 11.33681 0.000000       11.33681 
1 1 1 18  11  7  o 237.3736 10.24078 1364.573       115.9447 0.000000       0.000000 1364.573       115.9447 ?        ?        237.3736 10.24078 0.000000       10.24078 
1 1 1 18  11  8  o 178.5370 12.35887 778.0870       104.8399 0.000000       0.000000 778.0870       104.8399 ?        ?        178.5370 12.35887 0.000000       12.35887 
1 1 1 18  11  9  o 103.4282 13.89365 265.4601       66.96503 0.000000       0.000000 265.4601       66.96503 ?        ?        103.4282 13.89365 0.000000       13.89365 
1 1 1 18  11  10 o 249.4661 11.30896 1511.825       134.5277 0.000000       0.000000 1511.825       134.5277 ?        ?        249.4661 11.30896 0.000000       11.30896 
1 1 1 18  11  11 o 175.9785 11.43129 754.3130       95.65480 0.000000       0.000000 754.3130       95.65480 ?        ?        175.9785 11.43129 0.000000       11.43129 
1 1 1 18  11  12 o 46.09191 18.83638 22.54065       65.78532 0.000000       0.000000 22.54065       65.78532 ?        ?        46.09191 18.83638 0.000000       18.83638 
1 1 1 18  11  13 o 205.2116 10.78053 1023.546       105.3960 0.000000       0.000000 1023.546       105.3960 ?        ?        205.2116 10.78053 0.000000       10.78053 
1 1 1 18  11  14 o 194.5367 13.63233 930.1976       125.9861 0.000000       0.000000 930.1976       125.9861 ?        ?        194.5367 13.63233 0.000000       13.63233 
1 1 1 18  11  15 o 189.3453 13.74801 883.1018       123.6045 0.000000       0.000000 883.1018       123.6045 ?        ?        189.3453 13.74801 0.000000       13.74801 
1 1 1 18  11  16 o 156.7768 13.06375 605.5652       97.02795 0.000000       0.000000 605.5652       97.02795 ?        ?        156.7768 13.06375 0.000000       13.06375 
1 1 1 18  11  17 o 123.8509 12.73811 379.0550       74.35033 483.3997       131.3957 329.9094       90.17539 136.6941 20.75758 113.9708 17.07460 22.72337       26.87785 
1 1 1 18  11  18 o 200.9259 10.52305 984.0175       100.7325 1041.459       223.4639 969.3687       112.8483 199.0831 23.95921 198.8790 11.92330 0.2041473      26.76208 
1 1 1 18  11  19 o 79.47497 31.19914 136.3407       173.1117 133.5391       193.9622 147.3098       383.8033 81.19592 32.64728 97.68867 42.85276 -16.49275      53.87210 
1 1 1 18  11  20 o 97.61872 23.53079 257.7487       108.5240 114.8640       120.8320 853.8782       246.8081 70.86845 26.49755 174.1352 30.77099 -103.2668      40.60756 
1 1 1 18  11  21 o 122.2624 31.56865 434.4096       185.7954 371.2331       200.9469 806.5853       487.7279 111.5775 34.32734 143.0513 53.28553 -31.47376      63.38544 
1 1 1 18  11  22 o 121.0477 23.25195 395.5643       129.6731 395.1350       140.3699 398.0635       338.6726 119.7712 25.30774 111.3784 43.66378 8.392761       50.46788 
1 1 1 18  11  23 o 67.92133 30.20468 8.916661       197.0109 -5.919353      210.0867 117.0933       567.2920 68.51881 30.77779 99.95271 46.90030 -31.43389      56.09733 
1 1 1 18  11  24 o 97.92477 32.21149 295.0665       174.5316 66.71922       228.6656 613.7480       270.1353 75.08916 33.00357 133.3369 39.54196 -58.24769      51.50536 
1 1 1 18  11  25 o 77.75976 28.91739 166.9750       143.5274 81.82339       169.5121 382.6234       269.7600 69.39351 29.43267 103.8309 39.42263 -34.43736      49.19783 
1 1 1 18  11  26 o 77.11232 30.30563 160.2758       163.4961 145.7825       175.5576 255.0108       448.8408 76.09130 30.89248 94.10825 43.31207 -18.01695      53.20038 
1 1 1 18  11  27 o 69.28832 29.06458 100.6589       162.3722 89.16490       179.9750 150.9447       376.4434 69.72668 29.96933 85.31487 39.40837 -15.58819      49.50940 
1 1 1 18  11  28 o 70.63811 29.49945 123.4329       166.1483 121.9246       185.2255 129.6443       375.8846 71.72842 30.60656 81.26919 38.14725 -9.540771      48.90781 
1 1 1 18  11  29 o 79.33597 31.87022 212.1667       184.6588 256.2062       212.0880 74.17400       375.4248 83.76257 33.97392 76.25259 36.46200 7.509987       49.83677 
1 1 1 18  12  0  o 175.7882 14.22006 761.6962       118.4894 0.000000       0.000000 761.6962       118.4894 ?        ?        175.7882 14.22006 0.000000       14.22006 
1 1 1 18  12  1  o 317.8217 9.912557 2445.437       150.4341 0.000000       0.000000 2445.437       150.4341 ?        ?        317.8217 9.912557 0.000000       9.912557 
1 1 1 18  12  2  o 39.60351 18.65033 -91.74769      91.14160 0.000000       0.000000 -91.74769      91.14160 ?        ?        39.60351 18.65033 0.000000       18.65033 
1 1 1 18  12  3  o 97.03486 21.21537 244.7010       95.67027 0.000000       0.000000 244.7010       95.67027 ?        ?        97.03486 21.21537 0.000000       21.21537 
1 1 1 18  12  4  f 251.8304 10.22421 1535.996       122.8407 0.000000       0.000000 1535.996       122.8407 ?        ?        251.8304 10.22421 0.000000       10.22421 
1 1 1 18  12  5  f 116.8511 14.34661 338.3924       78.46757 0.000000       0.000000 338.3924       78.46757 ?        ?        116.8511 14.34661 0.000000       14.34661 
1 1 1 18  12  6  o 90.37177 16.33000 206.5591       67.95884 0.000000       0.000000 206.5591       67.95884 ?        ?        90.37177 16.33000 0.000000       16.33000 
1 1 1 18  12  7  o 148.4077 13.42116 540.9836       94.19765 0.000000       0.000000 540.9836       94.19765 ?        ?        148.4077 13.42116 0.000000       13.42116 
1 1 1 18  12  8  o 218.0081 12.43256 1159.067       129.0439 0.000000       0.000000 1159.067       129.0439 ?        ?        218.0081 12.43256 0.000000       12.43256 
1 1 1 18  12  9  o 45.43029 18.94131 14.43559       68.33479 0.000000       0.000000 14.43559       68.33479 ?        ?        45.43029 18.94131 0.000000       18.94131 
1 1 1 18  12  10 o 275.3333 10.14489 1835.804       133.3127 0.000000       0.000000 1835.804       133.3127 ?        ?        275.3333 10.14489 0.000000       10.14489 
1 1 1 18  12  11 o 117.2412 16.04025 344.0545       87.55328 0.000000       0.000000 344.0545       87.55328 ?        ?        117.2412 16.04025 0.000000       16.04025 
1 1 1 18  12  12 o 40.32154 17.89699 -19.88614      68.83743 0.000000       0.000000 -19.88614      68.83743 ?        ?        40.32154 17.89699 0.000000       17.89699 
1 1 1 18  12  13 o 50.98706 20.05359 41.43200       71.63646 0.000000       0.000000 41.43200       71.63646 ?        ?        50.98706 20.05359 0.000000       20.05359 
1 1 1 18  12  14 o 272.7002 10.44232 1805.726       135.8900 0.000000       0.000000 1805.726       135.8900 ?        ?        272.7002 10.44232 0.000000       10.44232 
1 1 1 18  12  15 o 270.2289 10.30673 1773.617       132.9120 0.000000       0.000000 1773.617       132.9120 ?        ?        270.2289 10.30673 0.000000       10.30673 
1 1 1 18  12  16 o 165.8038 13.35769 677.9089       104.9895 0.000000       0.000000 677.9089       104.9895 ?        ?        165.8038 13.35769 0.000000       13.35769 
1 1 1 18  12  17 o 76.04019 21.89469 152.0872       83.89674 0.000000       0.000000 152.0872       83.89674 ?        ?        76.04019 21.89469 0.000000       21.89469 
1 1 1 18  12  18 o 175.6089 11.27424 754.6393       94.15466 678.0162       167.1912 790.2260       113.9403 161.1394 22.29916 178.8684 13.42191 -17.72905      26.02691 
1 1 1 18  12  19 o 141.3108 12.45457 492.8750       83.28171 814.4453       225.0879 441.8705       89.64341 172.2664 28.31299 133.0668 14.31587 39.19952       31.72648 
1 1 1 18  12  20 f 46.97171 21.36993 -47.59980      105.1651 -47.83643      108.9479 -44.36850      402.5920 47.88063 21.77072 88.34646 40.78928 -40.46583      46.23559 
1 1 1 18  12  21 o 125.8586 27.63408 442.4648       161.7140 383.6793       206.4879 535.7161       260.0681 112.9496 34.80598 130.1728 38.84608 -17.22314      52.15816 
1 1 1 18  12  22 o 149.8770 21.12462 591.7662       147.1739 519.3243       155.8875 1185.953       446.4550 138.1247 24.50378 178.2392 50.24285 -40.11455      55.89972 
1 1 1 18  12  23 o 49.89400 22.68895 -42.71305      118.3770 -44.61417      126.0645 -28.53610      344.2541 51.36742 23.38044 80.80557 37.45153 -29.43815      44.15046 
1 1 1 18  12  24 o 62.98726 29.13608 -65.52090      206.8408 -124.7876      220.4494 370.5399       597.9668 61.40045 28.94294 105.5641 49.07474 -44.16365      56.97388 
1 1 1 18  12  25 o 77.53129 32.22743 140.0007       196.9577 94.63005       234.1026 249.9225       364.3850 76.38840 33.48963 93.35293 41.31914 -16.96453      53.18671 
1 1 1 18  12  26 o 59.51099 26.25921 18.22593       146.0848 186.9278       170.7009 -443.4590      282.3896 80.65213 31.17304 55.86184 27.71838 24.79029       41.71411 
1 1 1 18  12  27 o 140.8967 28.62917 607.6522       186.2646 660.1319       201.5485 300.4693       487.6206 145.4624 29.97879 93.54848 43.76214 51.91394       53.04576 
1 1 1 18  12  28 o 56.42096 26.18377 -41.52900      169.0978 -89.36168      180.5225 300.8926       483.0026 54.98315 26.00036 89.21939 42.29013 -34.23624      49.64347 
1 1 1 18  12  29 o 113.6937 32.18190 460.9792       182.7794 392.8163       205.0145 725.0761       403.5450 99.98061 34.89197 108.3101 45.64936 -8.329460      57.45706 
1 1 1 18  13  0  o 191.8062 11.99937 898.7130       109.4835 0.000000       0.000000 898.7130       109.4835 ?        ?        191.8062 11.99937 0.000000       11.99937 
1 1 1 18  13  1  o 185.5909 12.52397 842.9858       110.4731 0.000000       0.000000 842.9858       110.4731 ?        ?        185.5909 12.52397 0.000000       12.52397 
1 1 1 18  13  2  o 118.1935 19.46616 357.2043       106.1713 0.000000       0.000000 357.2043       106.1713 ?        ?        118.1935 19.46616 0.000000       19.46616 
1 1 1 18  13  3  o 245.9282 11.24727 1470.677       131.8902 0.000000       0.000000 1470.677       131.8902 ?        ?        245.9282 11.24727 0.000000       11.24727 
1 1 1 18  13  4  o 71.93217 23.06838 130.2732       89.82907 0.000000       0.000000 130.2732       89.82907 ?        ?        71.93217 23.06838 0.000000       23.06838 
1 1 1 18  13  5  o 216.5491 11.24603 1140.273       116.0308 0.000000       0.000000 1140.273       116.0308 ?        ?        216.5491 11.24603 0.000000       11.24603 
1 1 1 18  13  6  o 41.51274 18.57761 -27.78502      75.76672 0.000000       0.000000 -27.78502      75.76672 ?        ?        41.51274 18.57761 0.000000       18.57761 
1 1 1 18  13  7  f 103.0326 17.21272 268.6804       81.79868 0.000000       0.000000 268.6804       81.79868 ?        ?        103.0326 17.21272 0.000000       17.21272 
1 1 1 18  13  8  o 267.4494 10.26704 1733.147       131.0351 0.000000       0.000000 1733.147       131.0351 ?        ?        267.4494 10.26704 0.000000       10.26704 
1 1 1 18  13  9  o 118.6074 14.48537 349.2177       80.43679 0.000000       0.000000 349.2177       80.43679 ?        ?        118.6074 14.48537 0.000000       14.48537 
1 1 1 18  13  10 o 211.7554 10.86515 1089.711       109.6286 0.000000       0.000000 1089.711       109.6286 ?        ?        211.7554 10.86515 0.000000       10.86515 
1 1 1 18  13  11 o 87.40212 19.59350 198.0804       79.84519 0.000000       0.000000 198.0804       79.84519 ?        ?        87.40212 19.59350 0.000000       19.59350 
1 1 1 18  13  12 o 109.5727 14.54053 299.3901       74.29284 0.000000       0.000000 299.3901       74.29284 ?        ?        109.5727 14.54053 0.000000       14.54053 
1 1 1 18  13  13 o 227.4540 13.26254 1269.429       143.5954 0.000000       0.000000 1269.429       143.5954 ?        ?        227.4540 13.26254 0.000000       13.26254 
1 1 1 18  13  14 o 200.0400 13.68079 985.1969       130.0512 0.000000       0.000000 985.1969       130.0512 ?        ?        200.0400 13.68079 0.000000       13.68079 
1 1 1 18  13  15 o 153.4554 12.98201 580.0642       94.35011 0.000000       0.000000 580.0642       94.35011 ?        ?        153.4554 12.98201 0.000000       12.98201 
1 1 1 18  13  16 o 40.47251 18.02273 -21.12562      70.38758 0.000000       0.000000 -21.12562      70.38758 ?        ?        40.47251 18.02273 0.000000       18.02273 
1 1 1 18  13  17 o 43.82297 16.72779 34.91027       48.73204 0.000000       0.000000 34.91027       48.73204 ?        ?        43.82297 16.72779 0.000000       16.72779 
1 1 1 18  13  18 o 114.8181 15.04842 331.3684       80.61930 539.5274       140.1904 228.5147       98.54407 144.0977 20.96378 92.41006 22.51518 51.68761       30.76383 
1 1 1 18  13  19 o 59.61098 18.30118 90.44720       57.15316 212.4678       222.4132 81.82018       59.13906 91.93767 35.57000 57.45781 18.74174 34.47986       40.20545 
1 1 1 18  13  20 o 159.8458 21.24829 666.7865       158.3622 657.5518       171.6477 719.6088       410.5224 157.2732 23.55212 140.7451 49.35613 16.52817       54.68757 
1 1 1 18  13  21 o 97.27214 30.82217 271.9564       160.7514 352.1407       204.6268 142.7051       259.7977 108.1214 34.83050 86.70016 36.58903 21.42121       50.51654 
1 1 1 18  13  22 o 80.59893 27.17037 177.3855       124.0253 179.7578       129.1995 149.5345       442.6852 81.15453 27.72705 96.87553 43.98375 -15.72101      51.99384 
1 1 1 18  13  23 o 49.34388 22.40747 -39.04602      114.9598 84.88085       126.3119 -637.0095      277.4591 65.63772 26.36167 51.45201 25.82302 14.18571       36.90211 
1 1 1 18  13  24 o 119.6975 31.36630 443.2536       181.6280 266.4756       231.2868 727.6589       293.3632 92.81358 36.17115 142.6668 40.89932 -49.85323      54.59951 
1 1 1 18  13  25 o 94.26410 35.79779 290.9026       222.4610 306.2743       237.7977 183.1332       629.6447 95.79530 36.85440 96.34375 46.36901 -0.5484543     59.23117 
1 1 1 18  13  26 o 145.9604 31.58979 671.3728       214.0319 532.9488       255.8882 993.7644       390.5138 119.7279 38.98039 149.6550 48.10812 -29.92717      61.91819 
1 1 1 18  13  27 o 81.81332 34.31469 198.6564       226.2921 177.0789       279.7579 239.4948       384.8728 81.93481 36.23783 88.33331 40.45141 -6.398499      54.30927 
1 1 1 18  13  28 o 92.80627 36.78179 341.2449       242.6727 231.4711       276.3080 711.5790       507.5057 83.00506 36.38715 103.7705 47.10624 -20.76548      59.52329 
1 1 1 18  13  29 f 47.19317 23.40573 -305.4575      200.4268 -278.9406      275.6961 -335.1808      291.8890 56.84567 28.05753 56.71833 28.14979 0.1273422      39.74463 
1 1 1 18  14  0  o 192.0829 12.38360 903.1913       113.1159 0.000000       0.000000 903.1913       113.1159 ?        ?        192.0829 12.38360 0.000000       12.38360 
1 1 1 18  14  1  o 151.0719 16.40938 570.2823       116.6164 0.000000       0.000000 570.2823       116.6164 ?        ?        151.0719 16.40938 0.000000       16.40938 
1 1 1 18  14  2  o 154.3805 13.97514 588.1394       102.0310 0.000000       0.000000 588.1394       102.0310 ?        ?        154.3805 13.97514 0.000000       13.97514 
1 1 1 18  14  3  f 128.3555 13.35180 406.6261       80.73769 0.000000       0.000000 406.6261       80.73769 ?        ?        128.3555 13.35180 0.000000       13.35180 
1 1 1 18  14  4  o 143.5260 13.74531 508.2407       93.16658 0.000000       0.000000 508.2407       93.16658 ?        ?        143.5260 13.74531 0.000000       13.74531 
1 1 1 18  14  5  o 52.99587 18.89249 61.79597       60.35059 0.000000       0.000000 61.79597       60.35059 ?        ?        52.99587 18.89249 0.000000       18.89249 
1 1 1 18  14  6  o 42.43596 18.19648 0.7467949      66.05634 0.000000       0.000000 0.7467949      66.05634 ?        ?        42.43596 18.19648 0.000000       18.19648 
1 1 1 18  14  7  o 61.51402 21.67589 86.83432       79.24567 0.000000       0.000000 86.83432       79.24567 ?        ?        61.51402 21.67589 0.000000       21.67589 
1 1 1 18  14  8  o 51.39388 20.55165 37.59956       76.42538 0.000000       0.000000 37.59956       76.42538 ?        ?        51.39388 20.55165 0.000000       20.55165 
1 1 1 18  14  9  o 41.31439 18.14743 -12.86228      69.03884 0.000000       0.000000 -12.86228      69.03884 ?        ?        41.31439 18.14743 0.000000       18.14743 
1 1 1 18  14  10 o 257.2726 9.845157 1604.152       120.8711 0.000000       0.000000 1604.152       120.8711 ?        ?        257.2726 9.845157 0.000000       9.845157 
1 1 1 18  14  11 o 74.96909 17.69349 145.1146       62.38908 0.000000       0.000000 145.1146       62.38908 ?        ?        74.96909 17.69349 0.000000       17.69349 
1 1 1 18  14  12 o 88.06723 15.79916 196.8078       64.07662 0.000000       0.000000 196.8078       64.07662 ?        ?        88.06723 15.79916 0.000000       15.79916 
1 1 1 18  14  13 o 54.43139 20.77635 56.13166       75.17352 0.000000       0.000000 56.13166       75.17352 ?        ?        54.43139 20.77635 0.000000       20.77635 
1 1 1 18  14  14 o 64.14387 21.92185 99.41247       80.76339 0.000000       0.000000 99.41247       80.76339 ?        ?        64.14387 21.92185 0.000000       21.92185 
1 1 1 18  14  15 o 160.8638 14.24630 641.3519       108.4326 0.000000       0.000000 641.3519       108.4326 ?        ?        160.8638 14.24630 0.000000       14.24630 
1 1 1 18  14  16 o 205.9589 11.55737 1037.558       113.3450 0.000000       0.000000 1037.558       113.3450 ?        ?        205.9589 11.55737 0.000000       11.55737 
1 1 1 18  14  17 o 105.4500 14.56662 279.2578       71.47746 0.000000       0.000000 279.2578       71.47746 ?        ?        105.4500 14.56662 0.000000       14.56662 
1 1 1 18  14  18 o 245.4575 11.91359 1476.647       139.3890 0.000000       0.000000 1476.647       139.3890 ?        ?        245.4575 11.91359 0.000000       11.91359 
1 1 1 18  14  19 o 150.8100 12.84788 562.5436       91.75271 769.4785       236.3148 525.8108       99.56369 164.7709 31.13941 145.0846 14.55011 19.68622       34.37104 
1 1 1 18  14  20 o 80.70514 21.27730 174.4140       83.24924 28.40154       147.1350 243.1673       100.9643 63.16093 27.12163 94.87630 22.58566 -31.71537      35.29441 
1 1 1 18  14  21 o 145.5096 26.51986 587.7496       177.6941 938.1030       237.6336 143.3763       267.6263 183.1637 28.02680 86.52987 36.85192 96.63384       46.29866 
1 1 1 18  14  22 o 76.09259 31.58964 113.2281       188.9018 144.0237       208.9513 -24.53548      441.9449 80.91816 33.37349 87.79598 41.25906 -6.877823      53.06694 
1 1 1 18  14  23 o 178.1174 17.86570 823.8096       150.0851 710.2871       173.6206 1159.457       298.5396 161.0685 23.21617 194.5992 33.28414 -33.53072      40.58109 
1 1 1 18  14  24 o 90.57496 27.51255 243.7339       129.6148 274.1941       145.0965 123.4111       288.3792 94.97986 29.16002 82.46435 36.61512 12.51551       46.80784 
1 1 1 18  14  25 o 91.19353 29.18335 255.4985       143.8214 233.3744       150.4144 491.4011       491.1603 87.30740 29.91459 105.4916 47.24786 -18.18417      55.92176 
1 1 1 18  14  26 o 72.85291 31.78511 96.58936       208.6470 44.52049       247.5653 224.2576       387.6520 72.24895 32.83777 89.27119 40.77346 -17.02224      52.35260 
1 1 1 18  14  27 o 86.28636 33.51284 254.8657       198.0094 117.4955       347.8097 320.7380       240.8500 79.91336 37.24339 92.30961 36.62468 -12.39625      52.23445 
1 1 1 18  14  28 o 91.34084 33.63815 311.7963       193.3717 174.3709       220.7983 764.1764       400.6027 76.52699 33.04583 113.0364 46.37142 -36.50944      56.94151 
1 1 1 18  15  0  o 93.52522 21.56873 230.1711       94.47211 0.000000       0.000000 230.1711       94.47211 ?        ?        93.52522 21.56873 0.000000       21.56873 
1 1 1 18  15  1  o 76.94425 20.79174 154.8197       78.28499 0.000000       0.000000 154.8197       78.28499 ?        ?        76.94425 20.79174 0.000000       20.79174 
1 1 1 18  15  2  o 139.9655 13.32072 483.3172       88.06337 0.000000       0.000000 483.3172       88.06337 ?        ?        139.9655 13.32072 0.000000       13.32072 
1 1 1 18  15  3  o 197.2770 13.28316 955.8140       124.5509 0.000000       0.000000 955.8140       124.5509 ?        ?        197.2770 13.28316 0.000000       13.28316 
1 1 1 18  15  4  o 169.8149 13.15808 708.7435       105.9931 0.000000       0.000000 708.7435       105.9931 ?        ?        169.8149 13.15808 0.000000       13.15808 
1 1 1 18  15  5  o 104.1616 14.53361 271.0925       70.40724 0.000000       0.000000 271.0925       70.40724 ?        ?        104.1616 14.53361 0.000000       14.53361 
1 1 1 18  15  6  o 285.8023 12.42896 1995.071       169.4218 0.000000       0.000000 1995.071       169.4218 ?        ?        285.8023 12.42896 0.000000       12.42896 
1 1 1 18  15  7  o 287.0339 10.57183 2000.541       144.8268 0.000000       0.000000 2000.541       144.8268 ?        ?        287.0339 10.57183 0.000000       10.57183 
1 1 1 18  15  8  o 60.14254 21.75673 79.88007       80.36591 0.000000       0.000000 79.88007       80.36591 ?        ?        60.14254 21.75673 0.000000       21.75673 
1 1 1 18  15  9  o 207.0123 12.61122 1049.492       124.2213 0.000000       0.000000 1049.492       124.2213 ?        ?        207.0123 12.61122 0.000000       12.61122 
1 1 1 18  15  10 o 211.6887 13.55321 1101.669       136.4460 0.000000       0.000000 1101.669       136.4460 ?        ?        211.6887 13.55321 0.000000       13.55321 
1 1 1 18  15  11 o 235.7798 10.73374 1352.458       120.6773 0.000000       0.000000 1352.458       120.6773 ?        ?        235.7798 10.73374 0.000000       10.73374 
1 1 1 18  15  12 o 115.3847 16.94680 337.0779       90.70177 0.000000       0.000000 337.0779       90.70177 ?        ?        115.3847 16.94680 0.000000       16.94680 
1 1 1 18  15  13 o 77.14314 17.54801 153.9637       63.25447 0.000000       0.000000 153.9637       63.25447 ?        ?        77.14314 17.54801 0.000000       17.54801 
1 1 1 18  15  14 f 203.1120 11.68050 1009.167       112.9458 0.000000       0.000000 1009.167       112.9458 ?        ?        203.1120 11.68050 0.000000       11.68050 
1 1 1 18  15  15 o 91.16139 15.37812 210.7852       64.64055 0.000000       0.000000 210.7852       64.64055 ?        ?        91.16139 15.37812 0.000000       15.37812 
1 1 1 18  15  16 o 80.56287 17.43402 168.1493       65.19643 0.000000       0.000000 168.1493       65.19643 ?        ?        80.56287 17.43402 0.000000       17.43402 
1 1 1 18  15  17 o 59.18102 21.84951 76.22488       81.67241 0.000000       0.000000 76.22488       81.67241 ?        ?        59.18102 21.84951 0.000000       21.84951 
1 1 1 18  15  18 o 49.40527 20.38652 26.42974       78.02157 0.000000       0.000000 26.42974       78.02157 ?        ?        49.40527 20.38652 0.000000       20.38652 
1 1 1 18  15  19 o 48.65002 18.25472 47.69234       57.45403 90.59135       163.9978 41.69055       61.34157 72.38408 29.67928 48.18028 18.66940 24.20380       35.06288 
1 1 1 18  15  20 o 160.0946 12.44662 634.9706       94.51775 1064.386       171.2932 446.9919       113.3329 204.1033 17.72996 131.2935 18.57329 72.80977       25.67720 
1 1 1 18  15  21 o 130.2879 16.47556 435.4209       100.3342 632.5776       254.2077 399.0397       109.1998 139.8670 37.32344 123.2225 19.15857 16.64444       41.95343 
1 1 1 18  15  22 o 68.44393 29.47798 57.93252       174.7998 140.8607       235.8324 -43.17161      260.3976 81.71959 34.69065 71.06671 32.80883 10.65288       47.74788 
1 1 1 18  15  23 o 140.5795 21.22399 535.3711       138.2062 524.0313       157.9924 572.3298       285.2272 135.8893 25.24799 124.2978 41.19086 11.59151       48.31302 
1 1 1 18  15  24 o 91.17322 28.50938 251.9099       137.9689 222.8837       143.9755 578.1675       482.6959 86.03706 29.27220 111.0819 48.40666 -25.04488      56.56913 
1 1 1 18  15  25 o 77.74043 30.76036 166.7914       169.4637 16.40960       204.9758 491.5728       301.2316 66.66617 30.13221 110.3240 41.71118 -43.65786      51.45651 
1 1 1 18  15  26 o 86.80283 31.24171 247.0563       165.4555 300.3077       205.4761 148.8554       279.0318 92.27828 34.54333 79.67551 35.65409 12.60277       49.64329 
1 1 1 18  15  27 o 88.28697 33.09035 278.5895       188.6757 264.2139       209.4278 340.5335       434.7312 85.90240 34.12966 89.51550 41.69146 -3.613106      53.87960 
1 1 1 18  15  28 o 65.69642 28.27560 96.38813       160.6231 177.6774       212.5848 -11.75906      245.2016 75.72683 32.56017 64.88997 30.56837 10.83686       44.66083 
1 1 1 18  16  0  o 44.08695 18.59832 10.06633       67.08266 0.000000       0.000000 10.06633       67.08266 ?        ?        44.08695 18.59832 0.000000       18.59832 
1 1 1 18  16  1  o 130.8817 16.86221 431.8448       103.0630 0.000000       0.000000 431.8448       103.0630 ?        ?        130.8817 16.86221 0.000000       16.86221 
1 1 1 18  16  2  o 71.94521 23.46088 131.2007       92.67399 0.000000       0.000000 131.2007       92.67399 ?        ?        71.94521 23.46088 0.000000       23.46088 
1 1 1 18  16  3  o 114.9045 14.67297 329.6297       78.76868 0.000000       0.000000 329.6297       78.76868 ?        ?        114.9045 14.67297 0.000000       14.67297 
1 1 1 18  16  4  o 34.61674 16.71184 -123.4380      83.30230 0.000000       0.000000 -123.4380      83.30230 ?        ?        34.61674 16.71184 0.000000       16.71184 
1 1 1 18  16  5  o 77.24762 24.18858 155.0223       99.28208 0.000000       0.000000 155.0223       99.28208 ?        ?        77.24762 24.18858 0.000000       24.18858 
1 1 1 18  16  6  o 147.1622 12.76356 532.9073       88.91293 0.000000       0.000000 532.9073       88.91293 ?        ?        147.1622 12.76356 0.000000       12.76356 
1 1 1 18  16  7  o 230.6918 11.80731 1299.756       129.7909 0.000000       0.000000 1299.756       129.7909 ?        ?        230.6918 11.80731 0.000000       11.80731 
1 1 1 18  16  8  o 147.6962 14.37064 540.9651       100.1923 0.000000       0.000000 540.9651       100.1923 ?        ?        147.6962 14.37064 0.000000       14.37064 
1 1 1 18  16  9  o 169.7856 12.89837 708.9158       103.9160 0.000000       0.000000 708.9158       103.9160 ?        ?        169.7856 12.89837 0.000000       12.89837 
1 1 1 18  16  10 o 231.9975 11.33278 1313.016       125.3176 0.000000       0.000000 1313.016       125.3176 ?        ?        231.9975 11.33278 0.000000       11.33278 
1 1 1 18  16  11 o 288.3235 10.35899 2020.423       142.5606 0.000000       0.000000 2020.423       142.5606 ?        ?        288.3235 10.35899 0.000000       10.35899 
1 1 1 18  16  12 o 89.44707 16.48787 204.4430       67.91100 0.000000       0.000000 204.4430       67.91100 ?        ?        89.44707 16.48787 0.000000       16.48787 
1 1 1 18  16  13 o 88.96701 22.07038 210.4228       93.41988 0.000000       0.000000 210.4228       93.41988 ?        ?        88.96701 22.07038 0.000000       22.07038 
1 1 1 18  16  14 o 76.23950 17.82088 151.0978       63.78424 0.000000       0.000000 151.0978       63.78424 ?        ?        76.23950 17.82088 0.000000       17.82088 
1 1 1 18  16  15 o 318.4466 10.52639 2469.183       160.0395 0.000000       0.000000 2469.183       160.0395 ?        ?        318.4466 10.52639 0.000000       10.52639 
1 1 1 18  16  16 o 75.48824 17.35883 148.2063       61.33884 0.000000       0.000000 148.2063       61.33884 ?        ?        75.48824 17.35883 0.000000       17.35883 
1 1 1 18  16  17 o 82.83964 22.05481 184.2149       88.89085 0.000000       0.000000 184.2149       88.89085 ?        ?        82.83964 22.05481 0.000000       22.05481 
1 1 1 18  16  18 o 127.6520 14.18937 408.6061       85.13473 0.000000       0.000000 408.6061       85.13473 ?        ?        127.6520 14.18937 0.000000       14.18937 
1 1 1 18  16  19 o 101.6666 15.97045 265.1951       75.06921 0.000000       0.000000 265.1951       75.06921 ?        ?        101.6666 15.97045 0.000000       15.97045 
1 1 1 18  16  20 o 94.97191 19.78527 241.3573       86.91501 187.1378       154.0898 266.6569       105.2574 82.60226 30.09085 98.39077 22.81997 -15.78851      37.76519 
1 1 1 18  16  21 o 65.62482 23.46962 108.9615       93.21029 51.42949       253.1816 117.9819       100.2515 76.20118 34.04058 67.87357 24.33221 8.327606       41.84277 
1 1 1 18  16  22 o 114.8641 15.48871 339.7804       82.89101 445.2120       263.5377 328.2049       87.32291 111.5740 39.50927 112.1769 16.79852 -0.6029358     42.93219 
1 1 1 18  16  23 o 113.8017 40.17289 482.0812       272.2933 933.6470       332.3704 -439.5824      474.8408 157.8923 42.91592 73.88438 36.53270 84.00791       56.35969 
1 1 1 18  16  24 o 64.26762 28.00023 47.83040       161.4323 83.64104       196.1592 -27.32133      284.1660 71.22151 30.94950 71.87801 33.55336 -0.6564941     45.64755 
1 1 1 18  16  25 o 80.32087 30.99582 197.5661       168.5706 352.7390       206.3486 -113.7507      292.2772 99.18262 34.97515 67.11533 32.11416 32.06730       47.48243 
1 1 1 18  16  26 o 52.04881 25.03905 -148.2408      183.1156 -191.8859      207.7564 3.707157       387.6450 53.45315 25.94491 76.05522 36.54739 -22.60207      44.82020 
1 1 1 18  16  27 o 92.33490 31.93086 308.8125       171.5033 323.2794       213.7287 282.6533       287.4003 90.78268 34.93599 84.92632 37.17297 5.856361       51.01326 
1 1 1 18  17  0  o 282.4789 11.66019 1954.261       157.1322 0.000000       0.000000 1954.261       157.1322 ?        ?        282.4789 11.66019 0.000000       11.66019 
1 1 1 18  17  1  o 122.9260 16.83441 383.5412       96.33878 0.000000       0.000000 383.5412       96.33878 ?        ?        122.9260 16.83441 0.000000       16.83441 
1 1 1 18  17  2  o 108.9450 20.04869 309.0390       100.5776 0.000000       0.000000 309.0390       100.5776 ?        ?        108.9450 20.04869 0.000000       20.04869 
1 1 1 18  17  3  f 97.55659 17.20610 243.5964       77.31844 0.000000       0.000000 243.5964       77.31844 ?        ?        97.55659 17.20610 0.000000       17.20610 
1 1 1 18  17  4  o 154.4374 14.39992 591.9994       105.0961 0.000000       0.000000 591.9994       105.0961 ?        ?        154.4374 14.39992 0.000000       14.39992 
1 1 1 18  17  5  o 155.2599 13.76062 596.2357       101.0856 0.000000       0.000000 596.2357       101.0856 ?        ?        155.2599 13.76062 0.000000       13.76062 
1 1 1 18  17  6  o 158.7144 13.78092 622.8853       103.5335 0.000000       0.000000 622.8853       103.5335 ?        ?        158.7144 13.78092 0.000000       13.78092 
1 1 1 18  17  7  o 54.83883 21.42574 52.29660       81.31750 0.000000       0.000000 52.29660       81.31750 ?        ?        54.83883 21.42574 0.000000       21.42574 
1 1 1 18  17  8  o 86.84846 17.72444 194.6084       71.10017 0.000000       0.000000 194.6084       71.10017 ?        ?        86.84846 17.72444 0.000000       17.72444 
1 1 1 18  17  9  o 222.9774 11.40302 1214.196       121.1559 0.000000       0.000000 1214.196       121.1559 ?        ?        222.9774 11.40302 0.000000       11.40302 
1 1 1 18  17  10 o 60.20771 21.78347 81.33218       80.56734 0.000000       0.000000 81.33218       80.56734 ?        ?        60.20771 21.78347 0.000000       21.78347 
1 1 1 18  17  11 o 122.9597 14.51274 377.5990       83.67215 0.000000       0.000000 377.5990       83.67215 ?        ?        122.9597 14.51274 0.000000       14.51274 
1 1 1 18  17  12 o 230.7254 11.34555 1301.026       124.7657 0.000000       0.000000 1301.026       124.7657 ?        ?        230.7254 11.34555 0.000000       11.34555 
1 1 1 18  17  13 o 176.1014 14.46407 770.8680       120.7037 0.000000       0.000000 770.8680       120.7037 ?        ?        176.1014 14.46407 0.000000       14.46407 
1 1 1 18  17  14 o 173.9615 13.26149 748.6518       109.4633 0.000000       0.000000 748.6518       109.4633 ?        ?        173.9615 13.26149 0.000000       13.26149 
1 1 1 18  17  15 o 43.72666 17.38527 28.57677       54.37887 0.000000       0.000000 28.57677       54.37887 ?        ?        43.72666 17.38527 0.000000       17.38527 
1 1 1 18  17  16 o 41.45747 16.83301 21.09921       52.12978 0.000000       0.000000 21.09921       52.12978 ?        ?        41.45747 16.83301 0.000000       16.83301 
1 1 1 18  17  17 o 37.19616 17.60402 -85.22861      83.08289 0.000000       0.000000 -85.22861      83.08289 ?        ?        37.19616 17.60402 0.000000       17.60402 
1 1 1 18  17  18 o 82.41770 17.78621 179.1638       68.02457 0.000000       0.000000 179.1638       68.02457 ?        ?        82.41770 17.78621 0.000000       17.78621 
1 1 1 18  17  19 o 50.89754 18.50150 58.50754       58.20936 0.000000       0.000000 58.50754       58.20936 ?        ?        50.89754 18.50150 0.000000       18.50150 
1 1 1 18  17  20 o 55.33216 22.47633 50.29059       92.98936 0.000000       0.000000 50.29059       92.98936 ?        ?        55.33216 22.47633 0.000000       22.47633 
1 1 1 18  17  21 o 46.84332 20.45881 0.8696695      86.63828 162.1654       185.9551 -43.85059      97.91490 79.58135 31.97735 44.57943 20.41043 35.00192       37.93595 
1 1 1 18  17  22 o 49.63121 18.78066 52.41532       61.09916 -83.65431      325.8231 57.37455       62.20262 73.69179 34.87206 50.91370 19.01663 22.77808       39.72018 
1 1 1 18  17  23 o 99.10957 17.18677 261.0148       78.48583 432.0696       335.4402 251.1079       80.72667 103.2379 42.40111 96.63828 18.13869 6.599670       46.11796 
1 1 1 18  17  24 o 104.4079 40.23838 451.3573       283.8238 700.3417       349.4694 -31.10088      486.4665 121.7002 45.14840 81.16714 39.46658 40.53308       59.96656 
1 1 1 18  17  25 o 101.6976 36.91164 409.5398       231.5699 671.5319       357.8698 220.8231       303.7289 114.0635 44.83387 83.23416 37.22602 30.82935       58.27394 
1 1 1 18  17  26 o 72.02043 32.40127 111.3374       233.8555 157.8008       354.1165 75.40180       311.4247 79.06451 37.08498 73.80979 34.67010 5.254715       50.76723 
1 1 1 18  18  0  o 37.84924 17.30375 -38.87914      70.03725 0.000000       0.000000 -38.87914      70.03725 ?        ?        37.84924 17.30375 0.000000       17.30375 
1 1 1 18  18  1  o 61.17431 21.85022 88.57848       80.76494 0.000000       0.000000 88.57848       80.76494 ?        ?        61.17431 21.85022 0.000000       21.85022 
1 1 1 18  18  2  o 129.7298 14.64806 422.6545       89.26373 0.000000       0.000000 422.6545       89.26373 ?        ?        129.7298 14.64806 0.000000       14.64806 
1 1 1 18  18  3  o 58.38075 23.05435 60.74703       95.01930 0.000000       0.000000 60.74703       95.01930 ?        ?        58.38075 23.05435 0.000000       23.05435 
1 1 1 18  18  4  f 93.53848 19.04452 229.1154       82.26841 0.000000       0.000000 229.1154       82.26841 ?        ?        93.53848 19.04452 0.000000       19.04452 
1 1 1 18  18  5  o 174.3001 13.18951 751.6652       109.0936 0.000000       0.000000 751.6652       109.0936 ?        ?        174.3001 13.18951 0.000000       13.18951 
1 1 1 18  18  6  o 185.2445 13.71824 850.4680       120.6310 0.000000       0.000000 850.4680       120.6310 ?        ?        185.2445 13.71824 0.000000       13.71824 
1 1 1 18  18  7  o 308.7801 10.67098 2325.277       157.2928 0.000000       0.000000 2325.277       157.2928 ?        ?        308.7801 10.67098 0.000000       10.67098 
1 1 1 18  18  8  o 62.49953 19.93096 99.14069       67.12803 0.000000       0.000000 99.14069       67.12803 ?        ?        62.49953 19.93096 0.000000       19.93096 
1 1 1 18  18  9  o 120.5747 17.38373 371.5178       97.31812 0.000000       0.000000 371.5178       97.31812 ?        ?        120.5747 17.38373 0.000000       17.38373 
1 1 1 18  18  10 o 174.1612 12.85535 749.4350       106.2850 0.000000       0.000000 749.4350       106.2850 ?        ?        174.1612 12.85535 0.000000       12.85535 
1 1 1 18  18  11 o 231.7782 11.20944 1315.614       123.8441 0.000000       0.000000 1315.614       123.8441 ?        ?        231.7782 11.20944 0.000000       11.20944 
1 1 1 18  18  12 o 84.09559 17.56259 184.3647       68.32870 0.000000       0.000000 184.3647       68.32870 ?        ?        84.09559 17.56259 0.000000       17.56259 
1 1 1 18  18  13 o 120.9142 14.60869 368.2336       82.73964 0.000000       0.000000 368.2336       82.73964 ?        ?        120.9142 14.60869 0.000000       14.60869 
1 1 1 18  18  14 o 179.6653 13.38703 803.0250       114.1626 0.000000       0.000000 803.0250       114.1626 ?        ?        179.6653 13.38703 0.000000       13.38703 
1 1 1 18  18  15 o 138.4085 14.37954 482.0503       93.76644 0.000000       0.000000 482.0503       93.76644 ?        ?        138.4085 14.37954 0.000000       14.37954 
1 1 1 18  18  16 o 69.50858 23.01976 127.6048       89.08609 0.000000       0.000000 127.6048       89.08609 ?        ?        69.50858 23.01976 0.000000       23.01976 
1 1 1 18  18  17 o 45.53702 21.09232 -65.69989      108.9385 0.000000       0.000000 -65.69989      108.9385 ?        ?        45.53702 21.09232 0.000000       21.09232 
1 1 1 18  18  18 o 176.4252 13.91606 783.1366       116.4279 0.000000       0.000000 783.1366       116.4279 ?        ?        176.4252 13.91606 0.000000       13.91606 
1 1 1 18  18  19 o 55.24570 18.91015 76.07609       60.10175 0.000000       0.000000 76.07609       60.10175 ?        ?        55.24570 18.91015 0.000000       18.91015 
1 1 1 18  18  20 o 41.67990 19.06454 -39.64532      85.15553 0.000000       0.000000 -39.64532      85.15553 ?        ?        41.67990 19.06454 0.000000       19.06454 
1 1 1 18  18  21 o 67.17576 23.85617 120.1621       96.14304 0.000000       0.000000 120.1621       96.14304 ?        ?        67.17576 23.85617 0.000000       23.85617 
1 1 1 18  18  22 o 56.30259 22.73240 61.20290       94.46645 190.7603       330.6040 49.68452       98.57634 85.59666 38.51567 55.22316 22.86329 30.37350       44.79048 
1 1 1 18  18  23 o 65.89228 23.94851 118.8175       97.52438 -99.81863      343.7027 137.9616       101.7045 71.09136 34.22639 69.57841 24.55275 1.512947       42.12225 
1 1 1 18  18  24 o 99.01579 18.25450 269.3131       83.23076 114.0298       353.7850 278.4110       85.63426 78.58705 36.92630 100.5421 18.49659 -21.95508      41.29982 
1 1 1 18  19  0  o 38.15087 17.57232 -46.49147      74.08688 0.000000       0.000000 -46.49147      74.08688 ?        ?        38.15087 17.57232 0.000000       17.57232 
1 1 1 18  19  1  o 101.3094 22.37137 279.1811       105.4563 0.000000       0.000000 279.1811       105.4563 ?        ?        101.3094 22.37137 0.000000       22.37137 
1 1 1 18  19  2  o 96.83536 14.63287 238.4287       65.63304 0.000000       0.000000 238.4287       65.63304 ?        ?        96.83536 14.63287 0.000000       14.63287 
1 1 1 18  19  3  o 150.5275 12.05646 560.8050       86.04001 0.000000       0.000000 560.8050       86.04001 ?        ?        150.5275 12.05646 0.000000       12.05646 
1 1 1 18  19  4  o 76.25861 23.84977 157.1134       96.55051 0.000000       0.000000 157.1134       96.55051 ?        ?        76.25861 23.84977 0.000000       23.84977 
1 1 1 18  19  5  o 60.86592 19.86931 94.24069       66.46258 0.000000       0.000000 94.24069       66.46258 ?        ?        60.86592 19.86931 0.000000       19.86931 
1 1 1 18  19  6  o 68.88065 23.08582 122.8104       89.54620 0.000000       0.000000 122.8104       89.54620 ?        ?        68.88065 23.08582 0.000000       23.08582 
1 1 1 18  19  7  f 75.80355 21.53570 154.6541       81.69915 0.000000       0.000000 154.6541       81.69915 ?        ?        75.80355 21.53570 0.000000       21.53570 
1 1 1 18  19  8  o 96.53290 23.20201 255.1956       105.7493 0.000000       0.000000 255.1956       105.7493 ?        ?        96.53290 23.20201 0.000000       23.20201 
1 1 1 18  19  9  o 45.99745 19.31231 16.85089       71.79012 0.000000       0.000000 16.85089       71.79012 ?        ?        45.99745 19.31231 0.000000       19.31231 
1 1 1 18  19  10 o 147.1930 14.17754 543.5956       98.53637 0.000000       0.000000 543.5956       98.53637 ?        ?        147.1930 14.17754 0.000000       14.17754 
1 1 1 18  19  11 o 80.75929 17.37237 171.2377       65.08288 0.000000       0.000000 171.2377       65.08288 ?        ?        80.75929 17.37237 0.000000       17.37237 
1 1 1 18  19  12 o 121.9214 14.77586 376.5805       84.37187 0.000000       0.000000 376.5805       84.37187 ?        ?        121.9214 14.77586 0.000000       14.77586 
1 1 1 18  19  13 o 131.2032 16.31800 441.1175       100.1518 0.000000       0.000000 441.1175       100.1518 ?        ?        131.2032 16.31800 0.000000       16.31800 
1 1 1 18  19  14 o 29.21622 13.83865 -56.34721      51.54305 0.000000       0.000000 -56.34721      51.54305 ?        ?        29.21622 13.83865 0.000000       13.83865 
1 1 1 18  19  15 o 98.33510 16.06646 250.2583       72.92723 0.000000       0.000000 250.2583       72.92723 ?        ?        98.33510 16.06646 0.000000       16.06646 
1 1 1 18  19  16 o 98.59532 25.46632 278.3326       120.8805 0.000000       0.000000 278.3326       120.8805 ?        ?        98.59532 25.46632 0.000000       25.46632 
1 1 1 18  19  17 o 116.5382 16.83899 353.3659       91.10228 0.000000       0.000000 353.3659       91.10228 ?        ?        116.5382 16.83899 0.000000       16.83899 
1 1 1 18  19  18 o 82.97052 20.45124 189.2251       80.59767 0.000000       0.000000 189.2251       80.59767 ?        ?        82.97052 20.45124 0.000000       20.45124 
1 1 1 18  19  19 f 102.2056 17.17342 276.1503       80.94209 0.000000       0.000000 276.1503       80.94209 ?        ?        102.2056 17.17342 0.000000       17.17342 
1 1 1 18  19  20 o 67.84138 23.64659 126.3838       94.14474 0.000000       0.000000 126.3838       94.14474 ?        ?        67.84138 23.64659 0.000000       23.64659 
1 1 1 18  19  21 o 84.98639 23.39204 211.7942       98.03256 0.000000       0.000000 211.7942       98.03256 ?        ?        84.98639 23.39204 0.000000       23.39204 
1 1 1 18  19  22 o 99.86337 22.55352 289.9988       105.1250 0.000000       0.000000 289.9988       105.1250 ?        ?        99.86337 22.55352 0.000000       22.55352 
1 1 1 18  19  23 o 71.76316 24.67455 153.8817       102.3592 429.3929       355.1929 128.9290       106.8941 94.80260 41.41438 67.30835 24.96983 27.49425       48.35952 
1 1 1 18  20  0  o 85.30102 19.60932 197.3386       78.29429 0.000000       0.000000 197.3386       78.29429 ?        ?        85.30102 19.60932 0.000000       19.60932 
1 1 1 18  20  1  o 130.2670 16.19809 437.0786       98.70747 0.000000       0.000000 437.0786       98.70747 ?        ?        130.2670 16.19809 0.000000       16.19809 
1 1 1 18  20  2  o 159.7994 12.41803 636.1608       94.12743 0.000000       0.000000 636.1608       94.12743 ?        ?        159.7994 12.41803 0.000000       12.41803 
1 1 1 18  20  3  o 83.63491 17.52647 184.6134       67.83340 0.000000       0.000000 184.6134       67.83340 ?        ?        83.63491 17.52647 0.000000       17.52647 
1 1 1 18  20  4  o 65.75504 24.15988 104.8046       99.65691 0.000000       0.000000 104.8046       99.65691 ?        ?        65.75504 24.15988 0.000000       24.15988 
1 1 1 18  20  5  o 168.5043 12.95115 707.6597       103.5346 0.000000       0.000000 707.6597       103.5346 ?        ?        168.5043 12.95115 0.000000       12.95115 
1 1 1 18  20  6  o 125.0728 17.77388 406.1144       103.2918 0.000000       0.000000 406.1144       103.2918 ?        ?        125.0728 17.77388 0.000000       17.77388 
1 1 1 18  20  7  o 135.1300 16.45555 468.0941       104.1202 0.000000       0.000000 468.0941       104.1202 ?        ?        135.1300 16.45555 0.000000       16.45555 
1 1 1 18  20  8  o 50.85130 20.25307 43.43192       73.92343 0.000000       0.000000 43.43192       73.92343 ?        ?        50.85130 20.25307 0.000000       20.25307 
1 1 1 18  20  9  o 129.4576 19.37743 441.3701       116.2485 0.000000       0.000000 441.3701       116.2485 ?        ?        129.4576 19.37743 0.000000       19.37743 
1 1 1 18  20  10 o 81.52442 18.60011 177.2779       70.88850 0.000000       0.000000 177.2779       70.88850 ?        ?        81.52442 18.60011 0.000000       18.60011 
1 1 1 18  20  11 o 60.84681 19.23757 96.50817       62.65318 0.000000       0.000000 96.50817       62.65318 ?        ?        60.84681 19.23757 0.000000       19.23757 
1 1 1 18  20  12 o 37.47523 17.69933 -79.74033      83.17345 0.000000       0.000000 -79.74033      83.17345 ?        ?        37.47523 17.69933 0.000000       17.69933 
1 1 1 18  20  13 o 34.99128 15.85908 -25.65780      57.24696 0.000000       0.000000 -25.65780      57.24696 ?        ?        34.99128 15.85908 0.000000       15.85908 
1 1 1 18  20  14 o 93.36385 16.90255 228.9090       72.66966 0.000000       0.000000 228.9090       72.66966 ?        ?        93.36385 16.90255 0.000000       16.90255 
1 1 1 18  20  15 o 180.0472 14.67374 823.8546       125.2150 0.000000       0.000000 823.8546       125.2150 ?        ?        180.0472 14.67374 0.000000       14.67374 
1 1 1 18  20  16 o 150.5507 16.65613 589.4756       117.8825 0.000000       0.000000 589.4756       117.8825 ?        ?        150.5507 16.65613 0.000000       16.65613 
1 1 1 18  20  17 o 43.89651 18.85195 9.742930       71.10620 0.000000       0.000000 9.742930       71.10620 ?        ?        43.89651 18.85195 0.000000       18.85195 
1 1 1 18  20  18 o 66.77311 21.93308 123.5895       80.93053 0.000000       0.000000 123.5895       80.93053 ?        ?        66.77311 21.93308 0.000000       21.93308 
1 1 1 18  20  19 o 62.07095 21.72858 103.5217       79.54174 0.000000       0.000000 103.5217       79.54174 ?        ?        62.07095 21.72858 0.000000       21.72858 
1 1 1 18  20  20 o 68.14728 24.28220 131.9348       99.68489 0.000000       0.000000 131.9348       99.68489 ?        ?        68.14728 24.28220 0.000000       24.28220 
1 1 1 18  21  2  o 96.51782 22.44937 262.2012       101.6291 0.000000       0.000000 262.2012       101.6291 ?        ?        96.51782 22.44937 0.000000       22.44937 
1 1 1 18  21  3  o 36.25237 16.04441 -10.27455      54.93110 0.000000       0.000000 -10.27455      54.93110 ?        ?        36.25237 16.04441 0.000000       16.04441 
1 1 1 18  21  4  o 111.8468 19.58723 337.0905       100.9237 0.000000       0.000000 337.0905       100.9237 ?        ?        111.8468 19.58723 0.000000       19.58723 
1 1 1 18  21  5  o 103.3050 22.24777 297.2378       106.6289 0.000000       0.000000 297.2378       106.6289 ?        ?        103.3050 22.24777 0.000000       22.24777 
1 1 1 18  21  6  o 57.67287 20.73277 81.33286       72.84130 0.000000       0.000000 81.33286       72.84130 ?        ?        57.67287 20.73277 0.000000       20.73277 
1 1 1 18  21  7  o 116.1615 40.20724 498.0260       271.9574 0.000000       0.000000 498.0260       271.9574 ?        ?        116.1615 40.20724 0.000000       40.20724 
1 1 1 18  21  8  o 79.60651 23.53467 179.5672       95.81393 0.000000       0.000000 179.5672       95.81393 ?        ?        79.60651 23.53467 0.000000       23.53467 
1 1 1 18  21  9  o 42.09541 18.67671 -11.76493      74.88992 0.000000       0.000000 -11.76493      74.88992 ?        ?        42.09541 18.67671 0.000000       18.67671 
1 1 1 18  21  10 o 69.25916 24.22442 129.4673       98.85130 0.000000       0.000000 129.4673       98.85130 ?        ?        69.25916 24.22442 0.000000       24.22442 
1 1 1 18  21  11 o 116.4762 36.98989 476.3700       231.4115 0.000000       0.000000 476.3700       231.4115 ?        ?        116.4762 36.98989 0.000000       36.98989 
1 1 1 18  21  12 o 121.9975 15.53045 385.3362       88.53175 0.000000       0.000000 385.3362       88.53175 ?        ?        121.9975 15.53045 0.000000       15.53045 
1 1 1 18  21  13 o 69.39972 19.48600 132.3909       67.29208 0.000000       0.000000 132.3909       67.29208 ?        ?        69.39972 19.48600 0.000000       19.48600 
1 1 1 18  21  14 o 47.58648 21.48174 -22.25392      103.8006 0.000000       0.000000 -22.25392      103.8006 ?        ?        47.58648 21.48174 0.000000       21.48174 
1 1 1 18  21  15 o 60.28550 23.68242 82.62253       99.80491 0.000000       0.000000 82.62253       99.80491 ?        ?        60.28550 23.68242 0.000000       23.68242 
1 1 1 18  21  16 o 48.10373 18.98194 44.60605       64.37205 0.000000       0.000000 44.60605       64.37205 ?        ?        48.10373 18.98194 0.000000       18.98194 
1 1 1 18  21  17 o 69.32926 22.88358 137.4389       88.05784 0.000000       0.000000 137.4389       88.05784 ?        ?        69.32926 22.88358 0.000000       22.88358 
1 1 1 19  -1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  -1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1   17 o 84.67654 12.47550 185.0011       48.99271 0.000000       0.000000 185.0011       48.99271 ?        ?        84.67654 12.47550 0.000000       12.47550 
1 1 1 19  1   18 o 64.90221 16.10946 115.5550       49.75129 0.000000       0.000000 115.5550       49.75129 ?        ?        64.90221 16.10946 0.000000       16.10946 
1 1 1 19  1   19 o 107.4823 13.23025 300.7686       66.55211 341.8380       103.6105 271.9222       86.83408 108.7804 20.67817 97.90298 19.23821 10.87746       28.24350 
1 1 1 19  2   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2   16 o 55.30639 14.67810 80.78745       39.45046 0.000000       0.000000 80.78745       39.45046 ?        ?        55.30639 14.67810 0.000000       14.67810 
1 1 1 19  2   17 o 136.3154 9.420406 459.2037       61.01598 0.000000       0.000000 459.2037       61.01598 ?        ?        136.3154 9.420406 0.000000       9.420406 
1 1 1 19  2   18 o 58.37812 17.35758 92.52065       51.99865 0.000000       0.000000 92.52065       51.99865 ?        ?        58.37812 17.35758 0.000000       17.35758 
1 1 1 19  2   19 o 30.07977 14.64728 -104.3186      67.67684 5.704442       81.86620 -341.8027      120.2763 45.15686 19.80062 32.38077 16.34706 12.77609       25.67665 
1 1 1 19  2   20 o 38.20230 17.58218 -34.03782      73.96507 -97.01418      94.28662 66.72836       119.2666 37.90975 18.16636 58.67598 24.77810 -20.76622      30.72411 
1 1 1 19  2   21 o 54.08831 21.97947 62.84304       88.96337 98.95885       113.3648 4.946974       143.5337 61.92598 24.93808 55.02884 25.00822 6.897141       35.31741 
1 1 1 19  3   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3   13 o 44.53659 18.05849 27.92396       59.90137 0.000000       0.000000 27.92396       59.90137 ?        ?        44.53659 18.05849 0.000000       18.05849 
1 1 1 19  3   14 o 66.87106 12.52489 114.4431       38.57131 0.000000       0.000000 114.4431       38.57131 ?        ?        66.87106 12.52489 0.000000       12.52489 
1 1 1 19  3   15 o 23.57160 10.72741 -15.03509      26.52723 0.000000       0.000000 -15.03509      26.52723 ?        ?        23.57160 10.72741 0.000000       10.72741 
1 1 1 19  3   16 o 32.13289 14.43425 -16.59788      46.21247 0.000000       0.000000 -16.59788      46.21247 ?        ?        32.13289 14.43425 0.000000       14.43425 
1 1 1 19  3   17 o 67.77518 16.26482 122.6059       52.02936 0.000000       0.000000 122.6059       52.02936 ?        ?        67.77518 16.26482 0.000000       16.26482 
1 1 1 19  3   18 o 99.11008 11.01723 246.2065       51.32224 264.0006       99.77693 239.8049       59.84623 96.56849 22.09187 96.81345 13.27937 -0.2449646     25.77581 
1 1 1 19  3   19 o 107.8454 20.00728 320.9742       99.35962 268.3307       131.0379 392.1818       152.4008 92.95552 27.53344 112.1261 28.40247 -19.17054      39.55743 
1 1 1 19  3   20 f 45.88189 20.24079 0.8379502      86.74876 46.91380       103.8957 -105.2309      157.6359 55.02212 23.17483 50.65519 24.05391 4.366924       33.40155 
1 1 1 19  3   21 o 45.21992 21.54866 -102.8472      128.7722 -155.4008      146.9916 70.60348       267.0416 45.50806 22.02554 71.82217 33.18144 -26.31410      39.82627 
1 1 1 19  3   22 o 74.65448 31.51149 173.7910       192.7543 310.1740       250.9851 -22.31387      300.9622 86.81717 36.25650 68.05546 32.57042 18.76171       48.73773 
1 1 1 19  4   0  o 65.40089 18.83871 112.6526       62.09962 0.000000       0.000000 112.6526       62.09962 ?        ?        65.40089 18.83871 0.000000       18.83871 
1 1 1 19  4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4   10 o 151.1261 10.37946 559.6605       74.53796 0.000000       0.000000 559.6605       74.53796 ?        ?        151.1261 10.37946 0.000000       10.37946 
1 1 1 19  4   11 o 82.94816 13.95324 174.8372       53.37154 0.000000       0.000000 174.8372       53.37154 ?        ?        82.94816 13.95324 0.000000       13.95324 
1 1 1 19  4   12 o 107.7585 11.50050 287.9847       58.33369 0.000000       0.000000 287.9847       58.33369 ?        ?        107.7585 11.50050 0.000000       11.50050 
1 1 1 19  4   13 o 59.49373 14.22781 91.58985       39.92173 0.000000       0.000000 91.58985       39.92173 ?        ?        59.49373 14.22781 0.000000       14.22781 
1 1 1 19  4   14 o 153.6145 10.22925 579.7930       74.69694 0.000000       0.000000 579.7930       74.69694 ?        ?        153.6145 10.22925 0.000000       10.22925 
1 1 1 19  4   15 o 70.71516 14.87463 130.0234       48.69184 0.000000       0.000000 130.0234       48.69184 ?        ?        70.71516 14.87463 0.000000       14.87463 
1 1 1 19  4   16 o 41.38268 16.62078 25.13854       50.21294 0.000000       0.000000 25.13854       50.21294 ?        ?        41.38268 16.62078 0.000000       16.62078 
1 1 1 19  4   17 o 34.58692 14.84937 1.795642       44.09275 0.000000       0.000000 1.795642       44.09275 ?        ?        34.58692 14.84937 0.000000       14.84937 
1 1 1 19  4   18 o 205.7040 8.278831 1032.798       81.25164 1071.894       159.8899 1019.187       94.34093 203.4216 16.58431 203.5495 9.722528 -0.1278839     19.22412 
1 1 1 19  4   19 o 95.48502 21.72108 255.8892       96.91368 231.9563       114.2040 317.4688       183.1901 88.57232 25.55792 97.96164 33.02110 -9.389320      41.75644 
1 1 1 19  4   20 o 79.38171 29.88121 186.7331       154.2110 175.3903       180.1255 217.8663       298.4194 78.73299 31.52847 86.51919 37.87431 -7.786194      49.27989 
1 1 1 19  4   21 o 54.94020 24.18777 17.54318       123.2923 166.4152       162.0829 -186.8857      189.9336 75.94334 30.07235 51.71088 25.02987 24.23246       39.12596 
1 1 1 19  4   22 o 65.75783 28.98117 70.02138       177.4423 17.76483       212.0460 192.0998       324.1001 65.03257 29.87160 81.53016 37.25454 -16.49759      47.75158 
1 1 1 19  4   23 o 64.50151 27.84965 85.78396       156.7830 222.9494       262.1924 9.440023       195.6073 80.43963 35.34828 61.93494 28.53655 18.50469       45.42945 
1 1 1 19  5   0  o 86.34896 21.14304 199.7021       86.57295 0.000000       0.000000 199.7021       86.57295 ?        ?        86.34896 21.14304 0.000000       21.14304 
1 1 1 19  5   1  o 164.8725 15.51920 682.7841       120.8892 0.000000       0.000000 682.7841       120.8892 ?        ?        164.8725 15.51920 0.000000       15.51920 
1 1 1 19  5   2  o 75.88081 19.52678 152.1479       71.24917 0.000000       0.000000 152.1479       71.24917 ?        ?        75.88081 19.52678 0.000000       19.52678 
1 1 1 19  5   3  o 258.1341 8.655345 1615.259       106.6654 0.000000       0.000000 1615.259       106.6654 ?        ?        258.1341 8.655345 0.000000       8.655345 
1 1 1 19  5   4  o 82.48542 17.53102 176.9712       67.00130 0.000000       0.000000 176.9712       67.00130 ?        ?        82.48542 17.53102 0.000000       17.53102 
1 1 1 19  5   5  o 34.34785 15.48306 -23.50623      53.69799 0.000000       0.000000 -23.50623      53.69799 ?        ?        34.34785 15.48306 0.000000       15.48306 
1 1 1 19  5   6  o 124.1878 12.12250 381.2845       71.05930 0.000000       0.000000 381.2845       71.05930 ?        ?        124.1878 12.12250 0.000000       12.12250 
1 1 1 19  5   7  o 108.8281 11.92988 293.2546       61.05440 0.000000       0.000000 293.2546       61.05440 ?        ?        108.8281 11.92988 0.000000       11.92988 
1 1 1 19  5   8  o 249.4371 9.548091 1512.957       113.6536 0.000000       0.000000 1512.957       113.6536 ?        ?        249.4371 9.548091 0.000000       9.548091 
1 1 1 19  5   9  o 86.91385 15.17585 192.6151       60.76627 0.000000       0.000000 192.6151       60.76627 ?        ?        86.91385 15.17585 0.000000       15.17585 
1 1 1 19  5   10 o 71.68270 15.70092 132.7154       52.31572 0.000000       0.000000 132.7154       52.31572 ?        ?        71.68270 15.70092 0.000000       15.70092 
1 1 1 19  5   11 o 72.99624 17.97866 139.7450       62.32337 0.000000       0.000000 139.7450       62.32337 ?        ?        72.99624 17.97866 0.000000       17.97866 
1 1 1 19  5   12 o 48.30994 16.09187 56.16113       43.51817 0.000000       0.000000 56.16113       43.51817 ?        ?        48.30994 16.09187 0.000000       16.09187 
1 1 1 19  5   13 o 67.59057 17.78691 119.8748       58.24576 0.000000       0.000000 119.8748       58.24576 ?        ?        67.59057 17.78691 0.000000       17.78691 
1 1 1 19  5   14 o 112.3649 11.30547 312.2859       59.90881 0.000000       0.000000 312.2859       59.90881 ?        ?        112.3649 11.30547 0.000000       11.30547 
1 1 1 19  5   15 o 110.2317 15.38522 309.7294       78.87503 0.000000       0.000000 309.7294       78.87503 ?        ?        110.2317 15.38522 0.000000       15.38522 
1 1 1 19  5   16 o 78.58701 14.73069 159.1559       53.31257 0.000000       0.000000 159.1559       53.31257 ?        ?        78.58701 14.73069 0.000000       14.73069 
1 1 1 19  5   17 o 187.5671 11.07131 868.6400       98.83895 0.000000       0.000000 868.6400       98.83895 ?        ?        187.5671 11.07131 0.000000       11.07131 
1 1 1 19  5   18 o 138.8234 10.54009 476.4181       69.43165 564.8244       130.7624 441.7070       81.93616 146.0147 19.19624 132.4547 13.11080 13.56001       23.24627 
1 1 1 19  5   19 o 69.42595 23.59621 131.3585       93.55098 102.8600       108.6098 213.2859       184.1507 65.30560 24.96175 84.85608 32.48621 -19.55048      40.96880 
1 1 1 19  5   20 o 117.3876 30.66867 433.5982       173.9810 505.9618       201.8147 224.1866       343.3152 124.3082 33.29321 89.71704 39.88643 34.59113       51.95541 
1 1 1 19  5   21 o 93.66723 30.27115 279.4464       154.4814 294.1566       170.7645 213.1602       362.4927 94.87177 31.88105 88.44913 40.01537 6.422646       51.16279 
1 1 1 19  5   22 o 57.33292 25.29563 20.88942       135.5285 128.9054       145.9913 -652.6918      364.5676 70.69524 28.35883 58.26273 29.29000 12.43250       40.76919 
1 1 1 19  5   23 o 52.65616 24.92843 -93.17150      166.8415 8.307665       262.1073 -162.2976      216.3275 68.91714 32.18883 55.87747 26.96473 13.03967       41.99068 
1 1 1 19  5   24 o 85.78326 35.13817 281.7386       229.5842 534.2144       286.8181 -168.5195      383.0253 106.3089 40.58146 68.62603 33.71529 37.68283       52.75961 
1 1 1 19  5   25 o 94.62225 27.72519 299.3655       133.4727 282.4933       160.8640 336.6477       239.1237 88.21977 30.89902 88.96088 36.07729 -0.7411118     47.50074 
1 1 1 19  6   0  o 202.2252 11.54164 1002.766       111.1230 0.000000       0.000000 1002.766       111.1230 ?        ?        202.2252 11.54164 0.000000       11.54164 
1 1 1 19  6   1  o 175.4247 11.09444 753.6411       92.57076 0.000000       0.000000 753.6411       92.57076 ?        ?        175.4247 11.09444 0.000000       11.09444 
1 1 1 19  6   2  o 217.6702 10.21133 1154.650       105.9687 0.000000       0.000000 1154.650       105.9687 ?        ?        217.6702 10.21133 0.000000       10.21133 
1 1 1 19  6   3  o 95.37016 22.43906 243.7012       100.5925 0.000000       0.000000 243.7012       100.5925 ?        ?        95.37016 22.43906 0.000000       22.43906 
1 1 1 19  6   4  o 190.6946 10.93855 889.0995       99.30722 0.000000       0.000000 889.0995       99.30722 ?        ?        190.6946 10.93855 0.000000       10.93855 
1 1 1 19  6   5  o 98.75259 14.11057 245.0344       64.72766 0.000000       0.000000 245.0344       64.72766 ?        ?        98.75259 14.11057 0.000000       14.11057 
1 1 1 19  6   6  o 156.5784 14.65335 611.3401       108.4183 0.000000       0.000000 611.3401       108.4183 ?        ?        156.5784 14.65335 0.000000       14.65335 
1 1 1 19  6   7  o 234.4648 9.273816 1334.672       103.7498 0.000000       0.000000 1334.672       103.7498 ?        ?        234.4648 9.273816 0.000000       9.273816 
1 1 1 19  6   8  o 151.6634 12.46140 567.4306       89.55952 0.000000       0.000000 567.4306       89.55952 ?        ?        151.6634 12.46140 0.000000       12.46140 
1 1 1 19  6   9  o 174.4231 10.29504 742.5452       85.46822 0.000000       0.000000 742.5452       85.46822 ?        ?        174.4231 10.29504 0.000000       10.29504 
1 1 1 19  6   10 o 103.9157 15.72710 274.0848       75.69305 0.000000       0.000000 274.0848       75.69305 ?        ?        103.9157 15.72710 0.000000       15.72710 
1 1 1 19  6   11 o 74.98622 18.97162 147.9217       68.05441 0.000000       0.000000 147.9217       68.05441 ?        ?        74.98622 18.97162 0.000000       18.97162 
1 1 1 19  6   12 o 94.13561 14.61991 224.2281       63.66337 0.000000       0.000000 224.2281       63.66337 ?        ?        94.13561 14.61991 0.000000       14.61991 
1 1 1 19  6   13 o 100.3413 13.93424 253.1281       65.04393 0.000000       0.000000 253.1281       65.04393 ?        ?        100.3413 13.93424 0.000000       13.93424 
1 1 1 19  6   14 o 50.08640 15.98962 62.08989       43.19481 0.000000       0.000000 62.08989       43.19481 ?        ?        50.08640 15.98962 0.000000       15.98962 
1 1 1 19  6   15 o 119.2692 15.92145 361.6078       88.52045 0.000000       0.000000 361.6078       88.52045 ?        ?        119.2692 15.92145 0.000000       15.92145 
1 1 1 19  6   16 o 76.27216 17.00712 152.2384       60.43470 0.000000       0.000000 152.2384       60.43470 ?        ?        76.27216 17.00712 0.000000       17.00712 
1 1 1 19  6   17 o 104.6897 14.76113 278.8351       71.83270 0.000000       0.000000 278.8351       71.83270 ?        ?        104.6897 14.76113 0.000000       14.76113 
1 1 1 19  6   18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  6   19 o 67.94662 28.09715 86.34901       148.6288 119.3304       176.6786 6.503256       274.9003 74.46075 30.69698 74.84074 34.24046 -0.3799973     45.98601 
1 1 1 19  6   20 o 75.28320 25.88273 158.9734       112.6279 144.6096       122.8407 234.7410       282.1302 73.18716 26.83445 89.88274 38.04030 -16.69557      46.55268 
1 1 1 19  6   21 o 83.42475 24.55573 201.8244       104.4978 211.8553       110.4457 116.1455       322.7856 85.07798 25.29707 82.72463 37.55853 2.353348       45.28338 
1 1 1 19  6   22 o 130.7173 21.03222 470.2987       126.9814 380.5035       135.1947 1142.690       369.9509 113.8426 25.47686 168.8915 45.00611 -55.04890      51.71674 
1 1 1 19  6   23 o 91.68495 30.35143 274.0433       154.8744 330.9130       170.0522 -2.552457      375.0290 99.31216 31.72818 77.34708 36.83459 21.96507       48.61547 
1 1 1 19  6   24 o 57.45788 26.69433 -38.56501      176.5002 222.4334       287.9891 -195.5727      223.3663 82.86198 36.70160 55.24852 26.83617 27.61346       45.46634 
1 1 1 19  6   25 o 70.88405 28.20292 148.6930       143.2042 126.3515       183.8719 183.1380       228.3083 70.25785 30.24597 76.85075 33.39267 -6.592896      45.05429 
1 1 1 19  7   0  o 165.2909 12.51508 673.3060       98.16393 0.000000       0.000000 673.3060       98.16393 ?        ?        165.2909 12.51508 0.000000       12.51508 
1 1 1 19  7   1  o 219.2012 10.79580 1172.836       112.7893 0.000000       0.000000 1172.836       112.7893 ?        ?        219.2012 10.79580 0.000000       10.79580 
1 1 1 19  7   2  o 233.0658 9.940125 1321.256       110.5046 0.000000       0.000000 1321.256       110.5046 ?        ?        233.0658 9.940125 0.000000       9.940125 
1 1 1 19  7   3  o 60.32021 21.36206 84.74713       77.04421 0.000000       0.000000 84.74713       77.04421 ?        ?        60.32021 21.36206 0.000000       21.36206 
1 1 1 19  7   4  o 192.1648 10.69206 901.1171       97.84260 0.000000       0.000000 901.1171       97.84260 ?        ?        192.1648 10.69206 0.000000       10.69206 
1 1 1 19  7   5  o 238.9522 9.425459 1385.786       107.4655 0.000000       0.000000 1385.786       107.4655 ?        ?        238.9522 9.425459 0.000000       9.425459 
1 1 1 19  7   6  f 169.9441 11.13527 706.4945       89.97385 0.000000       0.000000 706.4945       89.97385 ?        ?        169.9441 11.13527 0.000000       11.13527 
1 1 1 19  7   7  o 215.6085 9.765313 1129.938       100.3995 0.000000       0.000000 1129.938       100.3995 ?        ?        215.6085 9.765313 0.000000       9.765313 
1 1 1 19  7   8  o 140.6069 11.51285 485.4106       76.71524 0.000000       0.000000 485.4106       76.71524 ?        ?        140.6069 11.51285 0.000000       11.51285 
1 1 1 19  7   9  o 176.0958 9.912227 755.0515       83.11356 0.000000       0.000000 755.0515       83.11356 ?        ?        176.0958 9.912227 0.000000       9.912227 
1 1 1 19  7   10 o 72.29775 16.70358 135.3691       56.57462 0.000000       0.000000 135.3691       56.57462 ?        ?        72.29775 16.70358 0.000000       16.70358 
1 1 1 19  7   11 o 136.6348 10.90380 457.6649       70.63692 0.000000       0.000000 457.6649       70.63692 ?        ?        136.6348 10.90380 0.000000       10.90380 
1 1 1 19  7   12 o 255.2862 9.152923 1581.612       111.5301 0.000000       0.000000 1581.612       111.5301 ?        ?        255.2862 9.152923 0.000000       9.152923 
1 1 1 19  7   13 o 52.84685 16.82156 69.37099       47.83463 0.000000       0.000000 69.37099       47.83463 ?        ?        52.84685 16.82156 0.000000       16.82156 
1 1 1 19  7   14 f 101.1266 12.60655 254.7188       59.62957 0.000000       0.000000 254.7188       59.62957 ?        ?        101.1266 12.60655 0.000000       12.60655 
1 1 1 19  7   15 o 43.53407 17.64457 23.97437       57.15920 0.000000       0.000000 23.97437       57.15920 ?        ?        43.53407 17.64457 0.000000       17.64457 
1 1 1 19  7   16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  7   17 o 39.56780 17.32515 -7.502064      62.47683 0.000000       0.000000 -7.502064      62.47683 ?        ?        39.56780 17.32515 0.000000       17.32515 
1 1 1 19  7   18 o 34.82808 15.65751 -20.90964      54.49906 58.22835       97.43439 -56.94217      65.74567 57.83948 23.17932 34.33702 16.06492 23.50246       28.20217 
1 1 1 19  7   19 o 80.67844 30.07318 175.9878       155.4053 241.2496       169.0496 -180.0418      394.8459 90.33456 31.67277 77.79298 37.25093 12.54158       48.89577 
1 1 1 19  7   20 o 154.3013 23.08570 654.2462       165.0768 630.4424       179.5168 784.6063       420.1011 148.7631 26.19722 132.5859 49.44053 16.17715       55.95230 
1 1 1 19  7   21 f 111.2325 28.11993 371.6122       149.5950 501.6721       182.4861 105.1375       261.2077 127.7557 30.33263 79.03851 34.98348 48.71723       46.30240 
1 1 1 19  7   22 o 86.38495 29.62493 228.2236       147.5240 401.2050       190.3196 -32.15757      233.5010 110.1067 33.31613 66.95120 30.96519 43.15554       45.48415 
1 1 1 19  7   23 o 121.4649 21.56715 410.2954       120.6550 385.4821       137.6183 492.7448       250.8575 114.2158 25.81197 114.3418 38.64144 -0.1259995     46.46954 
1 1 1 19  7   24 o 74.52153 30.11600 153.5483       165.9682 398.0672       294.6807 39.95026       200.8542 98.38277 39.99385 66.63111 29.99799 31.75166       49.99387 
1 1 1 19  7   25 o 57.14668 25.27599 27.98604       136.1228 47.93494       182.1902 2.778350       204.8009 64.20191 28.76395 63.18965 29.14512 1.012260       40.94878 
1 1 1 19  7   26 o 87.50464 33.70087 293.7952       198.9934 345.7870       303.1859 254.4477       263.7546 88.11588 38.38178 82.16639 35.79451 5.949486       52.48245 
1 1 1 19  8   0  f 52.78699 22.14961 22.90534       94.34604 0.000000       0.000000 22.90534       94.34604 ?        ?        52.78699 22.14961 0.000000       22.14961 
1 1 1 19  8   1  o 166.2658 12.68547 681.0177       100.0752 0.000000       0.000000 681.0177       100.0752 ?        ?        166.2658 12.68547 0.000000       12.68547 
1 1 1 19  8   2  f 146.1329 13.66891 529.2643       94.38899 0.000000       0.000000 529.2643       94.38899 ?        ?        146.1329 13.66891 0.000000       13.66891 
1 1 1 19  8   3  o 137.6573 13.27486 468.9797       86.28268 0.000000       0.000000 468.9797       86.28268 ?        ?        137.6573 13.27486 0.000000       13.27486 
1 1 1 19  8   4  o 126.2599 14.60864 397.9470       86.55784 0.000000       0.000000 397.9470       86.55784 ?        ?        126.2599 14.60864 0.000000       14.60864 
1 1 1 19  8   5  o 88.95483 19.40800 206.6178       80.21246 0.000000       0.000000 206.6178       80.21246 ?        ?        88.95483 19.40800 0.000000       19.40800 
1 1 1 19  8   6  o 94.77115 13.37180 224.3641       58.90456 0.000000       0.000000 224.3641       58.90456 ?        ?        94.77115 13.37180 0.000000       13.37180 
1 1 1 19  8   7  o 132.9616 13.02058 437.0933       81.70859 0.000000       0.000000 437.0933       81.70859 ?        ?        132.9616 13.02058 0.000000       13.02058 
1 1 1 19  8   8  o 132.0807 12.34547 430.0093       77.05388 0.000000       0.000000 430.0093       77.05388 ?        ?        132.0807 12.34547 0.000000       12.34547 
1 1 1 19  8   9  f 100.5413 13.35386 252.1283       62.60310 0.000000       0.000000 252.1283       62.60310 ?        ?        100.5413 13.35386 0.000000       13.35386 
1 1 1 19  8   10 o 80.56405 16.95597 167.4908       63.23867 0.000000       0.000000 167.4908       63.23867 ?        ?        80.56405 16.95597 0.000000       16.95597 
1 1 1 19  8   11 o 115.4947 14.19987 333.3467       76.75858 0.000000       0.000000 333.3467       76.75858 ?        ?        115.4947 14.19987 0.000000       14.19987 
1 1 1 19  8   12 o 31.89918 14.64313 -33.69381      50.84465 0.000000       0.000000 -33.69381      50.84465 ?        ?        31.89918 14.64313 0.000000       14.64313 
1 1 1 19  8   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  8   14 o 276.1822 13.70212 1885.118       180.3573 0.000000       0.000000 1885.118       180.3573 ?        ?        276.1822 13.70212 0.000000       13.70212 
1 1 1 19  8   15 o 219.1236 11.00094 1174.479       114.8777 0.000000       0.000000 1174.479       114.8777 ?        ?        219.1236 11.00094 0.000000       11.00094 
1 1 1 19  8   16 o 80.75941 18.62514 171.4176       70.44412 0.000000       0.000000 171.4176       70.44412 ?        ?        80.75941 18.62514 0.000000       18.62514 
1 1 1 19  8   17 o 202.6083 10.92745 1005.808       105.4567 0.000000       0.000000 1005.808       105.4567 ?        ?        202.6083 10.92745 0.000000       10.92745 
1 1 1 19  8   18 o 78.27776 19.53647 163.3279       72.87658 151.1084       179.6840 165.7338       79.72855 80.36287 31.71301 78.50229 20.88144 1.860580       37.97038 
1 1 1 19  8   19 o 67.20700 28.29245 64.52100       154.7215 67.58763       187.0971 57.88739       275.1760 71.56477 30.65423 79.83480 35.58772 -8.270027      46.96986 
1 1 1 19  8   20 o 57.40234 26.13127 -39.65152      157.5489 -37.08630      166.8760 -60.69389      477.9463 59.15569 26.91551 87.18304 41.53669 -28.02735      49.49487 
1 1 1 19  8   21 o 75.54633 29.39015 146.1392       152.4848 235.4208       179.0031 -90.01833      291.1257 88.37498 32.39470 70.97675 33.39618 17.39823       46.52657 
1 1 1 19  8   22 o 103.0633 30.34360 332.2498       159.5481 304.3687       197.8210 384.1398       269.8732 96.29974 34.21774 102.9621 39.34962 -6.662392      52.14639 
1 1 1 19  8   23 o 100.5958 25.51933 298.1539       122.9030 314.6963       136.1995 225.6250       285.1889 101.9892 27.36615 87.75194 37.72137 14.23728       46.60265 
1 1 1 19  8   24 o 116.0834 36.04777 483.6182       220.9906 585.1496       247.5537 85.21848       490.3755 125.6768 37.99033 85.94040 41.24759 39.73643       56.07699 
1 1 1 19  8   25 o 43.71367 21.37845 -204.2946      148.6991 -270.7863      156.7780 391.4336       469.2729 42.29322 20.92664 93.11285 43.34984 -50.81962      48.13660 
1 1 1 19  8   26 o 63.86399 30.09153 -30.12066      237.8413 57.56007       279.9893 -257.3756      450.7607 71.46551 33.34262 70.20737 34.86790 1.258133       48.24417 
1 1 1 19  8   27 o 67.85085 31.76329 40.22964       257.6449 40.70971       310.9225 39.17763       460.2676 70.74482 33.64747 75.87896 37.21357 -5.134140      50.16973 
1 1 1 19  9   0  o 180.2686 13.48170 802.5728       115.3496 0.000000       0.000000 802.5728       115.3496 ?        ?        180.2686 13.48170 0.000000       13.48170 
1 1 1 19  9   1  o 62.13338 23.82479 76.73843       99.15051 0.000000       0.000000 76.73843       99.15051 ?        ?        62.13338 23.82479 0.000000       23.82479 
1 1 1 19  9   2  o 261.7872 10.77991 1669.315       134.6300 0.000000       0.000000 1669.315       134.6300 ?        ?        261.7872 10.77991 0.000000       10.77991 
1 1 1 19  9   3  o 95.07000 19.39405 235.1414       85.16015 0.000000       0.000000 235.1414       85.16015 ?        ?        95.07000 19.39405 0.000000       19.39405 
1 1 1 19  9   4  o 148.3514 31.05762 615.3627       213.1995 0.000000       0.000000 615.3627       213.1995 ?        ?        148.3514 31.05762 0.000000       31.05762 
1 1 1 19  9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  9   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  9   8  o 268.2123 21.97812 1850.496       279.3542 0.000000       0.000000 1850.496       279.3542 ?        ?        268.2123 21.97812 0.000000       21.97812 
1 1 1 19  9   9  o 49.08211 19.41595 37.61507       67.50101 0.000000       0.000000 37.61507       67.50101 ?        ?        49.08211 19.41595 0.000000       19.41595 
1 1 1 19  9   10 f 128.2456 13.71999 408.4027       82.81545 0.000000       0.000000 408.4027       82.81545 ?        ?        128.2456 13.71999 0.000000       13.71999 
1 1 1 19  9   11 o 160.8728 12.19147 636.0332       93.06836 0.000000       0.000000 636.0332       93.06836 ?        ?        160.8728 12.19147 0.000000       12.19147 
1 1 1 19  9   12 o 195.8824 11.15377 937.8102       104.0224 0.000000       0.000000 937.8102       104.0224 ?        ?        195.8824 11.15377 0.000000       11.15377 
1 1 1 19  9   13 o 165.4971 12.34044 674.1092       96.93758 0.000000       0.000000 674.1092       96.93758 ?        ?        165.4971 12.34044 0.000000       12.34044 
1 1 1 19  9   14 o 133.2493 13.50925 441.1892       84.87270 0.000000       0.000000 441.1892       84.87270 ?        ?        133.2493 13.50925 0.000000       13.50925 
1 1 1 19  9   15 f 37.50734 16.69290 -17.82743      60.29625 0.000000       0.000000 -17.82743      60.29625 ?        ?        37.50734 16.69290 0.000000       16.69290 
1 1 1 19  9   16 o 98.43996 13.98220 243.6922       63.95565 0.000000       0.000000 243.6922       63.95565 ?        ?        98.43996 13.98220 0.000000       13.98220 
1 1 1 19  9   17 o 54.75547 16.66718 76.08952       47.53451 0.000000       0.000000 76.08952       47.53451 ?        ?        54.75547 16.66718 0.000000       16.66718 
1 1 1 19  9   18 o 188.7178 11.15036 874.3435       100.1544 878.6776       205.7773 872.9981       114.6506 180.6231 24.45737 187.7691 12.84899 -7.146042      27.62716 
1 1 1 19  9   19 o 50.98981 17.58673 61.90189       52.01303 57.78873       119.2602 62.86803       57.79975 61.47895 25.26972 52.09652 18.49755 9.382427       31.31642 
1 1 1 19  9   20 o 74.63622 25.02689 151.0004       105.2362 163.1254       109.6839 10.52790       373.3347 77.06042 25.54352 84.31873 39.05249 -7.258308      46.66442 
1 1 1 19  9   21 o 71.95613 24.67393 139.9161       102.3344 130.1445       115.3986 175.8911       221.4207 70.93285 26.00873 83.54254 34.39505 -12.60969      43.12161 
1 1 1 19  9   22 o 188.8490 22.96824 982.4182       203.1131 1096.182       218.4303 255.5510       552.1273 199.0858 23.39499 97.67150 45.96745 101.4143       51.57840 
1 1 1 19  9   23 o 65.00147 25.85056 94.51086       120.2583 113.4202       124.7238 -155.4680      453.4847 68.15678 26.56202 79.26070 38.43856 -11.10393      46.72327 
1 1 1 19  9   24 o 99.76763 33.14195 334.3815       184.6198 282.6674       220.7591 454.6975       336.7256 91.55766 35.43356 104.3921 42.63337 -12.83444      55.43592 
1 1 1 19  9   25 o 78.26842 29.11593 186.9885       145.5274 69.48940       166.7222 562.9929       298.2447 65.65554 28.53183 113.6677 41.79003 -48.01212      50.60110 
1 1 1 19  9   26 f 60.49056 26.65708 45.04352       150.0888 199.5661       170.6539 -482.6707      315.3696 78.57524 30.93717 56.01139 28.02725 22.56385       41.74488 
1 1 1 19  9   27 o 61.36551 29.59383 -108.5815      259.5472 -187.2667      296.6267 148.4478       536.1111 61.55196 30.12186 80.67630 39.68544 -19.12434      49.82229 
1 1 1 19  10  0  o 185.0770 13.25773 844.4714       116.5316 0.000000       0.000000 844.4714       116.5316 ?        ?        185.0770 13.25773 0.000000       13.25773 
1 1 1 19  10  1  o 80.79758 21.97168 172.9579       87.09435 0.000000       0.000000 172.9579       87.09435 ?        ?        80.79758 21.97168 0.000000       21.97168 
1 1 1 19  10  2  o 242.9536 11.70687 1442.518       135.5791 0.000000       0.000000 1442.518       135.5791 ?        ?        242.9536 11.70687 0.000000       11.70687 
1 1 1 19  10  3  o 98.16869 16.79560 245.6230       75.99569 0.000000       0.000000 245.6230       75.99569 ?        ?        98.16869 16.79560 0.000000       16.79560 
1 1 1 19  10  4  f 112.1293 16.50183 318.0683       85.81956 0.000000       0.000000 318.0683       85.81956 ?        ?        112.1293 16.50183 0.000000       16.50183 
1 1 1 19  10  5  o 102.5076 19.87839 272.9735       93.90286 0.000000       0.000000 272.9735       93.90286 ?        ?        102.5076 19.87839 0.000000       19.87839 
1 1 1 19  10  6  o 129.5380 14.06115 416.7790       85.68639 0.000000       0.000000 416.7790       85.68639 ?        ?        129.5380 14.06115 0.000000       14.06115 
1 1 1 19  10  7  o 152.8631 12.92572 575.6531       93.57932 0.000000       0.000000 575.6531       93.57932 ?        ?        152.8631 12.92572 0.000000       12.92572 
1 1 1 19  10  8  o 266.8127 13.20596 1748.293       167.9319 0.000000       0.000000 1748.293       167.9319 ?        ?        266.8127 13.20596 0.000000       13.20596 
1 1 1 19  10  9  f 38.36705 17.48945 -39.30296      70.87726 0.000000       0.000000 -39.30296      70.87726 ?        ?        38.36705 17.48945 0.000000       17.48945 
1 1 1 19  10  10 o 74.63095 16.19618 143.1829       56.12531 0.000000       0.000000 143.1829       56.12531 ?        ?        74.63095 16.19618 0.000000       16.19618 
1 1 1 19  10  11 o 155.7960 11.74799 595.3583       86.85932 0.000000       0.000000 595.3583       86.85932 ?        ?        155.7960 11.74799 0.000000       11.74799 
1 1 1 19  10  12 o 160.0462 12.08920 629.3025       91.81809 0.000000       0.000000 629.3025       91.81809 ?        ?        160.0462 12.08920 0.000000       12.08920 
1 1 1 19  10  13 o 220.0598 12.60822 1190.125       132.0935 0.000000       0.000000 1190.125       132.0935 ?        ?        220.0598 12.60822 0.000000       12.60822 
1 1 1 19  10  14 o 129.1862 13.30202 414.2786       80.98356 0.000000       0.000000 414.2786       80.98356 ?        ?        129.1862 13.30202 0.000000       13.30202 
1 1 1 19  10  15 o 44.20045 18.33453 17.54128       63.55971 0.000000       0.000000 17.54128       63.55971 ?        ?        44.20045 18.33453 0.000000       18.33453 
1 1 1 19  10  16 o 86.74850 18.46848 196.6015       74.24403 0.000000       0.000000 196.6015       74.24403 ?        ?        86.74850 18.46848 0.000000       18.46848 
1 1 1 19  10  17 o 61.65139 20.85264 93.94824       73.05425 0.000000       0.000000 93.94824       73.05425 ?        ?        61.65139 20.85264 0.000000       20.85264 
1 1 1 19  10  18 o 172.5068 13.02874 737.6539       106.6583 0.000000       0.000000 737.6539       106.6583 ?        ?        172.5068 13.02874 0.000000       13.02874 
1 1 1 19  10  19 o 70.69034 21.39382 133.0610       78.47305 259.8925       202.1070 110.5459       85.15392 94.69463 34.46693 65.96743 22.51066 28.72720       41.16673 
1 1 1 19  10  20 o 71.89717 30.08859 88.49897       173.3967 145.3974       196.5809 -110.9420      368.0427 80.06075 32.62073 78.90668 37.25646 1.154068       49.51925 
1 1 1 19  10  21 o 54.07638 22.79542 31.34031       100.6553 44.10426       110.3773 -31.69029      245.2804 57.53828 24.03749 69.94548 32.12793 -12.40720      40.12487 
1 1 1 19  10  22 o 179.0446 20.11983 855.7410       169.2471 848.4865       215.0830 867.5374       274.2661 171.4129 27.14897 162.7245 36.18961 8.688492       45.24107 
1 1 1 19  10  23 o 68.35866 26.43659 115.1362       122.8206 75.35530       128.5676 530.5033       415.4420 63.49619 26.18232 109.6134 46.26434 -46.11717      53.15923 
1 1 1 19  10  24 o 86.92245 32.78271 238.5894       185.8122 90.35867       217.7527 635.6269       356.3774 73.45003 32.24725 119.1075 45.29097 -45.65743      55.59818 
1 1 1 19  10  25 o 70.30328 27.24838 133.2709       130.6936 93.60796       140.7384 381.7523       352.2629 65.88047 27.30101 96.20548 41.64188 -30.32501      49.79349 
1 1 1 19  10  26 o 66.49636 28.10697 98.80473       153.7018 131.4635       170.9410 -39.05474      351.2080 71.15390 29.83271 72.34328 34.76979 -1.189377      45.81407 
1 1 1 19  10  27 o 61.34907 27.65739 37.00416       171.3953 -1.792788      179.3652 444.7001       581.4435 59.30206 27.32441 88.61973 43.10335 -29.31767      51.03452 
1 1 1 19  11  0  o 87.42616 22.02764 203.0973       92.01553 0.000000       0.000000 203.0973       92.01553 ?        ?        87.42616 22.02764 0.000000       22.02764 
1 1 1 19  11  1  o 62.35475 22.47798 88.39402       85.68974 0.000000       0.000000 88.39402       85.68974 ?        ?        62.35475 22.47798 0.000000       22.47798 
1 1 1 19  11  2  o 171.2582 11.09090 716.5224       90.32014 0.000000       0.000000 716.5224       90.32014 ?        ?        171.2582 11.09090 0.000000       11.09090 
1 1 1 19  11  3  o 96.95823 14.78962 236.5361       66.38990 0.000000       0.000000 236.5361       66.38990 ?        ?        96.95823 14.78962 0.000000       14.78962 
1 1 1 19  11  4  o 152.1414 13.70331 572.3235       98.60687 0.000000       0.000000 572.3235       98.60687 ?        ?        152.1414 13.70331 0.000000       13.70331 
1 1 1 19  11  5  o 101.6051 20.38693 269.2304       95.58505 0.000000       0.000000 269.2304       95.58505 ?        ?        101.6051 20.38693 0.000000       20.38693 
1 1 1 19  11  6  o 83.62502 22.19268 185.1455       90.18726 0.000000       0.000000 185.1455       90.18726 ?        ?        83.62502 22.19268 0.000000       22.19268 
1 1 1 19  11  7  o 166.4187 12.28832 679.6579       97.07977 0.000000       0.000000 679.6579       97.07977 ?        ?        166.4187 12.28832 0.000000       12.28832 
1 1 1 19  11  8  o 149.3810 12.58458 549.0630       89.04062 0.000000       0.000000 549.0630       89.04062 ?        ?        149.3810 12.58458 0.000000       12.58458 
1 1 1 19  11  9  o 92.99522 18.88098 224.1971       81.07480 0.000000       0.000000 224.1971       81.07480 ?        ?        92.99522 18.88098 0.000000       18.88098 
1 1 1 19  11  10 f 97.64806 17.01081 243.5514       76.52950 0.000000       0.000000 243.5514       76.52950 ?        ?        97.64806 17.01081 0.000000       17.01081 
1 1 1 19  11  11 o 68.70322 19.67471 122.5786       67.92238 0.000000       0.000000 122.5786       67.92238 ?        ?        68.70322 19.67471 0.000000       19.67471 
1 1 1 19  11  12 o 102.4901 14.24716 263.2805       67.92520 0.000000       0.000000 263.2805       67.92520 ?        ?        102.4901 14.24716 0.000000       14.24716 
1 1 1 19  11  13 o 148.1086 12.44340 540.5508       87.29654 0.000000       0.000000 540.5508       87.29654 ?        ?        148.1086 12.44340 0.000000       12.44340 
1 1 1 19  11  14 o 73.93982 20.37340 143.9328       74.31870 0.000000       0.000000 143.9328       74.31870 ?        ?        73.93982 20.37340 0.000000       20.37340 
1 1 1 19  11  15 o 334.6350 10.00753 2723.253       159.9257 0.000000       0.000000 2723.253       159.9257 ?        ?        334.6350 10.00753 0.000000       10.00753 
1 1 1 19  11  16 o 103.5364 17.02966 274.7090       81.36787 0.000000       0.000000 274.7090       81.36787 ?        ?        103.5364 17.02966 0.000000       17.02966 
1 1 1 19  11  17 f 91.71959 15.49613 214.5547       65.53244 0.000000       0.000000 214.5547       65.53244 ?        ?        91.71959 15.49613 0.000000       15.49613 
1 1 1 19  11  18 o 171.7711 13.83083 734.5738       112.6218 0.000000       0.000000 734.5738       112.6218 ?        ?        171.7711 13.83083 0.000000       13.83083 
1 1 1 19  11  19 f 54.65218 20.19552 65.52133       69.80244 65.65561       126.0145 65.46190       83.84000 63.67479 26.05170 56.94062 21.88916 6.734169       34.02685 
1 1 1 19  11  20 o 94.66857 34.37960 268.3012       200.9273 308.1647       221.0204 78.47820       482.3021 99.61911 36.07464 94.00861 43.82727 5.610504       56.76450 
1 1 1 19  11  21 o 67.01946 25.25663 108.1530       110.2416 159.5617       116.9542 -301.5191      330.1536 76.24593 26.36825 67.13493 32.61366 9.110992       41.93966 
1 1 1 19  11  22 o 65.45813 28.69140 37.29420       171.7421 77.70271       200.3283 -74.76456      333.6021 72.25911 31.33937 75.31831 35.53431 -3.059204      47.37977 
1 1 1 19  11  23 o 114.5278 26.10750 383.6705       139.7619 342.2335       145.1861 907.3494       516.1353 106.3745 28.12437 128.3027 52.63472 -21.92818      59.67742 
1 1 1 19  11  24 o 108.2106 31.50626 378.7836       172.8403 439.6901       225.1825 291.4476       269.6494 111.0491 36.59108 92.65615 38.03141 18.39294       52.77590 
1 1 1 19  11  25 o 87.36105 32.09687 251.3055       175.8875 437.4863       231.4505 -3.180552      270.5969 107.7919 37.10193 70.51234 32.85815 37.27957       49.56018 
1 1 1 19  11  26 o 76.86701 28.95884 184.2604       144.9048 173.4907       150.1435 330.5650       553.3907 75.42207 29.21294 89.58602 43.20560 -14.16395      52.15477 
1 1 1 19  11  27 o 72.07120 29.55083 154.3255       162.5803 247.2256       179.3544 -273.7999      385.0255 83.13959 32.00122 65.61596 32.52478 17.52363       45.62827 
1 1 1 19  12  0  o 100.5914 20.50293 264.8901       95.25298 0.000000       0.000000 264.8901       95.25298 ?        ?        100.5914 20.50293 0.000000       20.50293 
1 1 1 19  12  1  o 181.1193 13.07279 807.7411       112.4370 0.000000       0.000000 807.7411       112.4370 ?        ?        181.1193 13.07279 0.000000       13.07279 
1 1 1 19  12  2  o 209.4056 12.01823 1073.603       119.8145 0.000000       0.000000 1073.603       119.8145 ?        ?        209.4056 12.01823 0.000000       12.01823 
1 1 1 19  12  3  o 234.2471 11.12809 1338.086       124.2681 0.000000       0.000000 1338.086       124.2681 ?        ?        234.2471 11.12809 0.000000       11.12809 
1 1 1 19  12  4  o 51.54811 20.43910 41.45788       74.96527 0.000000       0.000000 41.45788       74.96527 ?        ?        51.54811 20.43910 0.000000       20.43910 
1 1 1 19  12  5  f 198.8957 11.68936 967.2397       110.6638 0.000000       0.000000 967.2397       110.6638 ?        ?        198.8957 11.68936 0.000000       11.68936 
1 1 1 19  12  6  o 206.5169 11.37113 1041.257       111.8377 0.000000       0.000000 1041.257       111.8377 ?        ?        206.5169 11.37113 0.000000       11.37113 
1 1 1 19  12  7  o 213.8671 11.05010 1115.253       112.6013 0.000000       0.000000 1115.253       112.6013 ?        ?        213.8671 11.05010 0.000000       11.05010 
1 1 1 19  12  8  o 212.8448 11.26817 1105.623       114.2549 0.000000       0.000000 1105.623       114.2549 ?        ?        212.8448 11.26817 0.000000       11.26817 
1 1 1 19  12  9  o 175.9736 13.18191 762.8160       110.0948 0.000000       0.000000 762.8160       110.0948 ?        ?        175.9736 13.18191 0.000000       13.18191 
1 1 1 19  12  10 o 176.4553 12.34522 764.4503       103.4889 0.000000       0.000000 764.4503       103.4889 ?        ?        176.4553 12.34522 0.000000       12.34522 
1 1 1 19  12  11 o 49.04932 16.58517 56.59327       46.21278 0.000000       0.000000 56.59327       46.21278 ?        ?        49.04932 16.58517 0.000000       16.58517 
1 1 1 19  12  12 o 155.3340 13.11231 595.8369       96.46790 0.000000       0.000000 595.8369       96.46790 ?        ?        155.3340 13.11231 0.000000       13.11231 
1 1 1 19  12  13 f 262.7550 14.07185 1706.022       176.1260 0.000000       0.000000 1706.022       176.1260 ?        ?        262.7550 14.07185 0.000000       14.07185 
1 1 1 19  12  14 o 37.13921 15.39717 10.95129       44.79155 0.000000       0.000000 10.95129       44.79155 ?        ?        37.13921 15.39717 0.000000       15.39717 
1 1 1 19  12  15 o 126.7451 14.24968 401.2403       84.85233 0.000000       0.000000 401.2403       84.85233 ?        ?        126.7451 14.24968 0.000000       14.24968 
1 1 1 19  12  16 o 51.47567 20.35600 43.49655       74.17287 0.000000       0.000000 43.49655       74.17287 ?        ?        51.47567 20.35600 0.000000       20.35600 
1 1 1 19  12  17 o 107.8535 17.00833 298.2177       84.79832 0.000000       0.000000 298.2177       84.79832 ?        ?        107.8535 17.00833 0.000000       17.00833 
1 1 1 19  12  18 o 63.16269 22.55282 95.44923       86.03516 0.000000       0.000000 95.44923       86.03516 ?        ?        63.16269 22.55282 0.000000       22.55282 
1 1 1 19  12  19 o 40.65261 17.02308 12.28647       55.55289 159.9535       125.2703 -23.86297      61.98079 77.62721 27.26118 37.03217 16.66885 40.59505       31.95344 
1 1 1 19  12  20 f 81.70405 21.53937 182.5580       85.31588 61.38800       224.9133 202.9235       92.20724 74.88242 32.82767 85.85609 22.27535 -10.97367      39.67175 
1 1 1 19  12  21 o 133.6387 28.27033 522.1498       174.9749 676.1318       226.0977 292.2258       276.2824 147.9926 32.81643 96.52027 38.90961 51.47228       50.90065 
1 1 1 19  12  22 o 85.72820 33.12231 215.0501       192.6623 238.1431       206.8501 63.82318       529.3339 88.72078 34.30902 91.16496 43.51120 -2.444176      55.41059 
1 1 1 19  12  23 o 41.92332 20.09027 -126.6715      115.3341 -176.7955      122.0481 291.6668       352.5916 40.43558 19.68550 94.76497 41.33271 -54.32939      45.78113 
1 1 1 19  12  24 o 87.20314 34.33746 240.1635       210.2460 313.6212       223.9907 -303.8768      609.5745 95.32670 35.98434 82.13312 40.74897 13.19358       54.36314 
1 1 1 19  12  25 o 57.47870 26.73589 -53.20330      177.8725 135.2107       227.3111 -350.7899      285.6739 76.22957 33.21865 57.81339 28.53995 18.41618       43.79506 
1 1 1 19  12  26 o 68.11284 26.86304 126.3250       128.8590 175.4541       144.7308 -61.53893      283.0175 75.51879 28.82750 66.89089 31.89518 8.627899       42.99218 
1 1 1 19  12  27 o 78.88920 28.59019 206.0511       138.8587 201.3088       157.3810 222.7158       295.0237 77.74340 29.96309 80.49059 36.28649 -2.747185      47.05843 
1 1 1 19  13  0  o 93.49940 20.13677 229.2642       87.35090 0.000000       0.000000 229.2642       87.35090 ?        ?        93.49940 20.13677 0.000000       20.13677 
1 1 1 19  13  1  o 120.8991 20.95482 380.7061       116.7329 0.000000       0.000000 380.7061       116.7329 ?        ?        120.8991 20.95482 0.000000       20.95482 
1 1 1 19  13  2  o 240.1444 11.60554 1408.869       132.8491 0.000000       0.000000 1408.869       132.8491 ?        ?        240.1444 11.60554 0.000000       11.60554 
1 1 1 19  13  3  o 94.12369 19.48476 230.6415       84.79021 0.000000       0.000000 230.6415       84.79021 ?        ?        94.12369 19.48476 0.000000       19.48476 
1 1 1 19  13  4  o 224.5957 11.12116 1230.313       119.0439 0.000000       0.000000 1230.313       119.0439 ?        ?        224.5957 11.12116 0.000000       11.12116 
1 1 1 19  13  5  o 166.9584 14.16045 690.1711       111.9648 0.000000       0.000000 690.1711       111.9648 ?        ?        166.9584 14.16045 0.000000       14.16045 
1 1 1 19  13  6  o 195.8398 12.83003 942.4625       119.4645 0.000000       0.000000 942.4625       119.4645 ?        ?        195.8398 12.83003 0.000000       12.83003 
1 1 1 19  13  7  o 131.0974 16.70728 433.4797       102.3389 0.000000       0.000000 433.4797       102.3389 ?        ?        131.0974 16.70728 0.000000       16.70728 
1 1 1 19  13  8  o 282.5452 10.51938 1941.874       141.8493 0.000000       0.000000 1941.874       141.8493 ?        ?        282.5452 10.51938 0.000000       10.51938 
1 1 1 19  13  9  o 50.31224 17.86718 56.35768       53.92955 0.000000       0.000000 56.35768       53.92955 ?        ?        50.31224 17.86718 0.000000       17.86718 
1 1 1 19  13  10 o 189.9175 12.48639 885.8948       112.7442 0.000000       0.000000 885.8948       112.7442 ?        ?        189.9175 12.48639 0.000000       12.48639 
1 1 1 19  13  11 o 123.5198 13.45513 378.7773       78.17426 0.000000       0.000000 378.7773       78.17426 ?        ?        123.5198 13.45513 0.000000       13.45513 
1 1 1 19  13  12 o 48.32610 17.28932 51.23901       50.58812 0.000000       0.000000 51.23901       50.58812 ?        ?        48.32610 17.28932 0.000000       17.28932 
1 1 1 19  13  13 o 113.7579 14.62909 324.4398       77.72265 0.000000       0.000000 324.4398       77.72265 ?        ?        113.7579 14.62909 0.000000       14.62909 
1 1 1 19  13  14 o 78.27108 21.81024 162.7159       84.64507 0.000000       0.000000 162.7159       84.64507 ?        ?        78.27108 21.81024 0.000000       21.81024 
1 1 1 19  13  15 o 92.57217 19.37531 224.5555       82.99403 0.000000       0.000000 224.5555       82.99403 ?        ?        92.57217 19.37531 0.000000       19.37531 
1 1 1 19  13  16 o 118.9079 14.40780 354.6187       80.23745 0.000000       0.000000 354.6187       80.23745 ?        ?        118.9079 14.40780 0.000000       14.40780 
1 1 1 19  13  17 o 82.67356 17.03971 177.5711       65.10973 0.000000       0.000000 177.5711       65.10973 ?        ?        82.67356 17.03971 0.000000       17.03971 
1 1 1 19  13  18 o 71.11387 21.87780 134.3538       81.62305 0.000000       0.000000 134.3538       81.62305 ?        ?        71.11387 21.87780 0.000000       21.87780 
1 1 1 19  13  19 o 128.5042 14.58691 417.3249       88.03300 0.000000       0.000000 417.3249       88.03300 ?        ?        128.5042 14.58691 0.000000       14.58691 
1 1 1 19  13  20 o 100.7691 18.03721 267.2964       83.70621 272.5485       146.0745 264.7285       102.1394 95.90416 29.22264 98.07748 22.29041 -2.173317      36.75357 
1 1 1 19  13  21 o 45.05748 17.78247 34.80137       56.50120 -76.44688      236.1893 41.55412       58.19075 65.90340 30.70631 46.88014 18.17866 19.02327       35.68390 
1 1 1 19  13  22 o 91.50951 27.08087 248.3505       126.8117 242.9615       131.9255 313.8479       459.9245 90.19099 27.82584 98.63290 44.80147 -8.441910      52.73944 
1 1 1 19  13  23 o 99.20647 26.31981 291.9177       126.8744 404.9697       141.5618 -169.6517      286.0393 117.8073 25.84612 65.86874 31.58473 51.93856       40.81197 
1 1 1 19  13  24 o 106.2203 34.39905 389.8540       199.4227 485.4482       232.2742 121.7856       388.9628 115.5057 37.09959 84.55969 39.40089 30.94597       54.11848 
1 1 1 19  13  25 o 62.57170 29.20837 -41.36470      215.3141 -125.6580      228.5610 623.2413       641.7823 59.60626 28.48792 100.0871 47.80825 -40.48081      55.65241 
1 1 1 19  13  26 o 80.91650 33.32578 219.6104       207.9654 288.9398       245.5174 43.53236       391.2697 87.21445 36.09283 76.71124 36.82493 10.50321       51.56324 
1 1 1 19  13  27 o 66.07014 27.06161 115.9576       136.1619 163.9323       152.1813 -76.60275      304.8868 72.71893 29.02700 66.19813 31.96161 6.520798       43.17535 
1 1 1 19  14  0  o 58.32928 20.56339 79.36120       71.32631 0.000000       0.000000 79.36120       71.32631 ?        ?        58.32928 20.56339 0.000000       20.56339 
1 1 1 19  14  1  o 36.97355 17.65086 -106.4140      87.21526 0.000000       0.000000 -106.4140      87.21526 ?        ?        36.97355 17.65086 0.000000       17.65086 
1 1 1 19  14  2  o 98.95029 24.09547 263.6635       112.9097 0.000000       0.000000 263.6635       112.9097 ?        ?        98.95029 24.09547 0.000000       24.09547 
1 1 1 19  14  3  o 177.0531 13.31004 773.0674       111.8408 0.000000       0.000000 773.0674       111.8408 ?        ?        177.0531 13.31004 0.000000       13.31004 
1 1 1 19  14  4  o 141.4213 12.80212 493.3051       85.62094 0.000000       0.000000 493.3051       85.62094 ?        ?        141.4213 12.80212 0.000000       12.80212 
1 1 1 19  14  5  o 207.7947 13.18124 1062.427       130.2731 0.000000       0.000000 1062.427       130.2731 ?        ?        207.7947 13.18124 0.000000       13.18124 
1 1 1 19  14  6  o 48.32531 18.65748 41.30689       61.09830 0.000000       0.000000 41.30689       61.09830 ?        ?        48.32531 18.65748 0.000000       18.65748 
1 1 1 19  14  7  o 44.00172 19.44424 -16.76554      80.37895 0.000000       0.000000 -16.76554      80.37895 ?        ?        44.00172 19.44424 0.000000       19.44424 
1 1 1 19  14  8  o 177.7533 12.52163 776.4724       105.7302 0.000000       0.000000 776.4724       105.7302 ?        ?        177.7533 12.52163 0.000000       12.52163 
1 1 1 19  14  9  o 82.57518 21.35778 180.4783       84.94405 0.000000       0.000000 180.4783       84.94405 ?        ?        82.57518 21.35778 0.000000       21.35778 
1 1 1 19  14  10 o 311.2671 14.70851 2397.085       218.2629 0.000000       0.000000 2397.085       218.2629 ?        ?        311.2671 14.70851 0.000000       14.70851 
1 1 1 19  14  11 o 83.02267 16.70406 177.3249       64.00330 0.000000       0.000000 177.3249       64.00330 ?        ?        83.02267 16.70406 0.000000       16.70406 
1 1 1 19  14  12 o 111.6895 14.82786 313.2431       77.22280 0.000000       0.000000 313.2431       77.22280 ?        ?        111.6895 14.82786 0.000000       14.82786 
1 1 1 19  14  13 o 59.80450 21.48872 81.72508       78.23923 0.000000       0.000000 81.72508       78.23923 ?        ?        59.80450 21.48872 0.000000       21.48872 
1 1 1 19  14  14 o 79.42128 22.22738 168.3183       87.70860 0.000000       0.000000 168.3183       87.70860 ?        ?        79.42128 22.22738 0.000000       22.22738 
1 1 1 19  14  15 o 136.4838 14.21965 465.2402       91.42606 0.000000       0.000000 465.2402       91.42606 ?        ?        136.4838 14.21965 0.000000       14.21965 
1 1 1 19  14  16 o 49.24652 20.27510 27.83708       76.93984 0.000000       0.000000 27.83708       76.93984 ?        ?        49.24652 20.27510 0.000000       20.27510 
1 1 1 19  14  17 o 102.7132 15.77640 269.5753       74.99816 0.000000       0.000000 269.5753       74.99816 ?        ?        102.7132 15.77640 0.000000       15.77640 
1 1 1 19  14  18 o 129.0561 15.96950 424.8470       96.43191 0.000000       0.000000 424.8470       96.43191 ?        ?        129.0561 15.96950 0.000000       15.96950 
1 1 1 19  14  19 o 147.7771 15.70976 556.4689       109.2914 0.000000       0.000000 556.4689       109.2914 ?        ?        147.7771 15.70976 0.000000       15.70976 
1 1 1 19  14  20 f 116.9345 16.46524 353.9531       89.50352 367.9319       154.1980 346.8503       109.9148 111.1959 28.78376 113.1004 21.10352 -1.904472      35.69122 
1 1 1 19  14  21 o 61.92785 19.20374 101.9019       62.74221 437.9672       243.6553 78.03543       64.93190 111.8673 38.07986 56.14145 19.63342 55.72589       42.84328 
1 1 1 19  14  22 o 67.42050 27.07913 100.4102       133.2885 213.4051       151.1808 -293.9952      282.4481 84.50527 29.92439 60.99614 29.75090 23.50913       42.19698 
1 1 1 19  14  23 o 61.40472 25.23187 70.71870       118.8584 80.99399       131.1751 23.58161       280.9543 64.24937 26.46497 74.39927 34.25074 -10.14989      43.28403 
1 1 1 19  14  24 o 60.08012 27.42766 -13.78356      175.1414 -9.493858      221.6773 -20.90922      285.7064 65.82780 30.34766 71.00218 33.30573 -5.174385      45.05832 
1 1 1 19  14  25 o 64.14992 29.66542 -4.961592      214.1990 50.70840       229.6549 -377.2858      593.9171 69.08985 31.48951 75.78760 38.00064 -6.697746      49.35218 
1 1 1 19  14  26 o 74.69780 32.16829 160.6567       208.1229 251.3710       243.3124 -86.69009      401.7718 83.02842 35.24099 72.09498 35.23333 10.93344       49.83287 
1 1 1 19  15  0  o 42.60220 18.44616 -1.516934      69.16817 0.000000       0.000000 -1.516934      69.16817 ?        ?        42.60220 18.44616 0.000000       18.44616 
1 1 1 19  15  1  o 82.82091 26.44449 185.2182       118.1437 0.000000       0.000000 185.2182       118.1437 ?        ?        82.82091 26.44449 0.000000       26.44449 
1 1 1 19  15  2  o 130.2072 14.33000 423.4662       87.73203 0.000000       0.000000 423.4662       87.73203 ?        ?        130.2072 14.33000 0.000000       14.33000 
1 1 1 19  15  3  o 98.44190 18.53098 251.0531       84.01469 0.000000       0.000000 251.0531       84.01469 ?        ?        98.44190 18.53098 0.000000       18.53098 
1 1 1 19  15  4  o 173.9155 14.24274 750.3516       117.3877 0.000000       0.000000 750.3516       117.3877 ?        ?        173.9155 14.24274 0.000000       14.24274 
1 1 1 19  15  5  o 163.0991 13.10511 656.5334       101.3287 0.000000       0.000000 656.5334       101.3287 ?        ?        163.0991 13.10511 0.000000       13.10511 
1 1 1 19  15  6  o 102.0537 16.96604 265.8731       79.87330 0.000000       0.000000 265.8731       79.87330 ?        ?        102.0537 16.96604 0.000000       16.96604 
1 1 1 19  15  7  o 103.7495 16.88835 274.4566       80.89013 0.000000       0.000000 274.4566       80.89013 ?        ?        103.7495 16.88835 0.000000       16.88835 
1 1 1 19  15  8  o 154.9752 13.76914 595.0745       100.9573 0.000000       0.000000 595.0745       100.9573 ?        ?        154.9752 13.76914 0.000000       13.76914 
1 1 1 19  15  9  o 90.71819 20.81984 217.3590       88.38191 0.000000       0.000000 217.3590       88.38191 ?        ?        90.71819 20.81984 0.000000       20.81984 
1 1 1 19  15  10 o 133.5169 14.30618 444.3723       89.89837 0.000000       0.000000 444.3723       89.89837 ?        ?        133.5169 14.30618 0.000000       14.30618 
1 1 1 19  15  11 o 229.9949 13.78649 1307.341       150.8976 0.000000       0.000000 1307.341       150.8976 ?        ?        229.9949 13.78649 0.000000       13.78649 
1 1 1 19  15  12 o 201.2308 11.92270 993.8802       114.1895 0.000000       0.000000 993.8802       114.1895 ?        ?        201.2308 11.92270 0.000000       11.92270 
1 1 1 19  15  13 o 116.8688 15.12135 344.0903       82.50993 0.000000       0.000000 344.0903       82.50993 ?        ?        116.8688 15.12135 0.000000       15.12135 
1 1 1 19  15  14 o 140.6185 13.26593 491.3436       88.13036 0.000000       0.000000 491.3436       88.13036 ?        ?        140.6185 13.26593 0.000000       13.26593 
1 1 1 19  15  15 o 82.29591 21.41501 182.1282       85.05393 0.000000       0.000000 182.1282       85.05393 ?        ?        82.29591 21.41501 0.000000       21.41501 
1 1 1 19  15  16 o 113.3263 15.35096 326.3872       81.03485 0.000000       0.000000 326.3872       81.03485 ?        ?        113.3263 15.35096 0.000000       15.35096 
1 1 1 19  15  17 o 68.14342 22.33232 121.9329       83.92350 0.000000       0.000000 121.9329       83.92350 ?        ?        68.14342 22.33232 0.000000       22.33232 
1 1 1 19  15  18 o 85.75441 17.55274 193.8203       69.53731 0.000000       0.000000 193.8203       69.53731 ?        ?        85.75441 17.55274 0.000000       17.55274 
1 1 1 19  15  19 o 48.17994 20.47236 16.94353       82.26677 0.000000       0.000000 16.94353       82.26677 ?        ?        48.17994 20.47236 0.000000       20.47236 
1 1 1 19  15  20 o 238.9354 12.60015 1424.189       143.4256 0.000000       0.000000 1424.189       143.4256 ?        ?        238.9354 12.60015 0.000000       12.60015 
1 1 1 19  15  21 o 88.74562 17.62729 209.7547       72.15216 70.09879       249.9177 222.4535       75.36115 75.86156 33.85932 91.31971 17.90156 -15.45815      38.30038 
1 1 1 19  15  22 o 42.37643 19.13056 -24.89783      82.33176 24.10919       151.4495 -45.45644      98.09246 60.90069 26.81003 44.20145 20.30829 16.69924       33.63338 
1 1 1 19  15  23 o 65.50402 27.02569 89.91779       137.0883 43.45468       155.5851 251.2166       289.8874 62.62154 27.38171 88.44801 38.02584 -25.82646      46.85854 
1 1 1 19  15  24 o 59.61640 25.23384 60.08397       124.1684 51.43420       137.2443 99.09870       291.4783 60.29644 26.04539 76.53060 35.10473 -16.23416      43.71161 
1 1 1 19  15  25 o 73.66905 33.84218 94.71942       272.2616 -54.71453      338.2859 369.5083       458.7318 70.57096 33.97071 89.91114 42.18413 -19.34018      54.16188 
1 1 1 19  16  0  o 76.22957 24.38269 156.4366       100.4053 0.000000       0.000000 156.4366       100.4053 ?        ?        76.22957 24.38269 0.000000       24.38269 
1 1 1 19  16  1  o 179.1268 14.47246 802.3946       122.8855 0.000000       0.000000 802.3946       122.8855 ?        ?        179.1268 14.47246 0.000000       14.47246 
1 1 1 19  16  2  o 106.8858 20.82311 303.0163       102.5811 0.000000       0.000000 303.0163       102.5811 ?        ?        106.8858 20.82311 0.000000       20.82311 
1 1 1 19  16  3  o 100.6564 24.34302 277.3270       115.8503 0.000000       0.000000 277.3270       115.8503 ?        ?        100.6564 24.34302 0.000000       24.34302 
1 1 1 19  16  4  o 200.4210 12.19650 988.6921       116.3124 0.000000       0.000000 988.6921       116.3124 ?        ?        200.4210 12.19650 0.000000       12.19650 
1 1 1 19  16  5  o 90.07471 23.80747 220.3823       104.0572 0.000000       0.000000 220.3823       104.0572 ?        ?        90.07471 23.80747 0.000000       23.80747 
1 1 1 19  16  6  o 61.58969 22.40344 86.41490       85.37115 0.000000       0.000000 86.41490       85.37115 ?        ?        61.58969 22.40344 0.000000       22.40344 
1 1 1 19  16  7  o 48.55767 19.01275 39.89561       64.14744 0.000000       0.000000 39.89561       64.14744 ?        ?        48.55767 19.01275 0.000000       19.01275 
1 1 1 19  16  8  o 64.79297 22.86302 100.8386       88.18674 0.000000       0.000000 100.8386       88.18674 ?        ?        64.79297 22.86302 0.000000       22.86302 
1 1 1 19  16  9  o 113.5268 18.11823 331.9212       95.03466 0.000000       0.000000 331.9212       95.03466 ?        ?        113.5268 18.11823 0.000000       18.11823 
1 1 1 19  16  10 o 101.2003 15.97297 260.9525       74.72097 0.000000       0.000000 260.9525       74.72097 ?        ?        101.2003 15.97297 0.000000       15.97297 
1 1 1 19  16  11 o 96.10785 19.51783 242.8082       86.61588 0.000000       0.000000 242.8082       86.61588 ?        ?        96.10785 19.51783 0.000000       19.51783 
1 1 1 19  16  12 o 105.0645 15.54986 280.6242       75.75175 0.000000       0.000000 280.6242       75.75175 ?        ?        105.0645 15.54986 0.000000       15.54986 
1 1 1 19  16  13 o 198.7412 13.07338 978.8127       123.5281 0.000000       0.000000 978.8127       123.5281 ?        ?        198.7412 13.07338 0.000000       13.07338 
1 1 1 19  16  14 o 72.25883 22.69828 139.0950       87.35568 0.000000       0.000000 139.0950       87.35568 ?        ?        72.25883 22.69828 0.000000       22.69828 
1 1 1 19  16  15 o 66.66193 18.89508 117.5994       62.96502 0.000000       0.000000 117.5994       62.96502 ?        ?        66.66193 18.89508 0.000000       18.89508 
1 1 1 19  16  16 o 89.67990 21.11329 218.3861       89.01278 0.000000       0.000000 218.3861       89.01278 ?        ?        89.67990 21.11329 0.000000       21.11329 
1 1 1 19  16  17 o 81.08905 17.82786 174.4413       67.22831 0.000000       0.000000 174.4413       67.22831 ?        ?        81.08905 17.82786 0.000000       17.82786 
1 1 1 19  16  18 o 34.74390 15.38588 -11.25460      50.58714 0.000000       0.000000 -11.25460      50.58714 ?        ?        34.74390 15.38588 0.000000       15.38588 
1 1 1 19  16  19 o 42.69022 19.36181 -31.82042      85.50580 0.000000       0.000000 -31.82042      85.50580 ?        ?        42.69022 19.36181 0.000000       19.36181 
1 1 1 19  16  20 o 106.8684 15.85138 296.4319       78.53771 0.000000       0.000000 296.4319       78.53771 ?        ?        106.8684 15.85138 0.000000       15.85138 
1 1 1 19  16  21 o 124.1552 14.41210 394.6640       83.95847 588.7371       188.3797 346.5583       93.78857 139.3755 29.20698 114.3680 17.72611 25.00744       34.16523 
1 1 1 19  16  22 o 49.01326 20.65991 27.07275       82.67187 245.4385       154.9117 -59.88473      97.75645 87.89829 30.34936 42.53579 19.79715 45.36251       36.23549 
1 1 1 19  16  23 o 62.96286 22.92683 105.7717       89.43927 298.1524       198.0837 56.50670       100.2391 91.83611 34.00538 55.96370 23.10163 35.87241       41.11024 
1 1 1 19  16  24 o 51.40742 24.75695 -149.1293      180.1368 -60.33564      193.6145 -721.1200      491.4071 58.11768 27.31100 64.71600 32.71509 -6.598328      42.61652 
1 1 1 19  16  25 o 83.59148 34.15337 256.7998       216.2104 328.5748       348.7033 211.9715       275.5785 87.25593 39.38276 80.05668 35.65480 7.199249       53.12501 
1 1 1 19  17  0  o 53.91201 20.74412 57.76107       75.34666 0.000000       0.000000 57.76107       75.34666 ?        ?        53.91201 20.74412 0.000000       20.74412 
1 1 1 19  17  1  o 69.78941 24.49620 124.3594       101.1390 0.000000       0.000000 124.3594       101.1390 ?        ?        69.78941 24.49620 0.000000       24.49620 
1 1 1 19  17  2  o 142.6820 15.98603 517.5295       107.1755 0.000000       0.000000 517.5295       107.1755 ?        ?        142.6820 15.98603 0.000000       15.98603 
1 1 1 19  17  3  o 72.15737 24.01483 137.1741       96.92496 0.000000       0.000000 137.1741       96.92496 ?        ?        72.15737 24.01483 0.000000       24.01483 
1 1 1 19  17  4  o 195.5359 14.30443 955.5584       132.7976 0.000000       0.000000 955.5584       132.7976 ?        ?        195.5359 14.30443 0.000000       14.30443 
1 1 1 19  17  5  o 109.6262 15.26887 305.2633       77.85706 0.000000       0.000000 305.2633       77.85706 ?        ?        109.6262 15.26887 0.000000       15.26887 
1 1 1 19  17  6  o 172.9678 14.68465 749.7286       120.2864 0.000000       0.000000 749.7286       120.2864 ?        ?        172.9678 14.68465 0.000000       14.68465 
1 1 1 19  17  7  o 186.8988 13.34567 867.6912       118.4644 0.000000       0.000000 867.6912       118.4644 ?        ?        186.8988 13.34567 0.000000       13.34567 
1 1 1 19  17  8  f 81.02486 24.74859 179.3120       104.6866 0.000000       0.000000 179.3120       104.6866 ?        ?        81.02486 24.74859 0.000000       24.74859 
1 1 1 19  17  9  o 89.21207 17.63662 207.7465       72.55540 0.000000       0.000000 207.7465       72.55540 ?        ?        89.21207 17.63662 0.000000       17.63662 
1 1 1 19  17  10 o 50.63359 21.53136 16.35074       91.11758 0.000000       0.000000 16.35074       91.11758 ?        ?        50.63359 21.53136 0.000000       21.53136 
1 1 1 19  17  11 o 154.5875 13.69754 597.0586       100.1870 0.000000       0.000000 597.0586       100.1870 ?        ?        154.5875 13.69754 0.000000       13.69754 
1 1 1 19  17  12 o 41.79345 16.81810 24.11313       51.51796 0.000000       0.000000 24.11313       51.51796 ?        ?        41.79345 16.81810 0.000000       16.81810 
1 1 1 19  17  13 o 109.4956 19.23389 316.2932       97.01454 0.000000       0.000000 316.2932       97.01454 ?        ?        109.4956 19.23389 0.000000       19.23389 
1 1 1 19  17  14 o 159.2081 14.02829 636.7762       105.6861 0.000000       0.000000 636.7762       105.6861 ?        ?        159.2081 14.02829 0.000000       14.02829 
1 1 1 19  17  15 o 28.47729 13.45219 -50.58380      48.08794 0.000000       0.000000 -50.58380      48.08794 ?        ?        28.47729 13.45219 0.000000       13.45219 
1 1 1 19  17  16 o 81.82665 22.51281 185.8167       90.82333 0.000000       0.000000 185.8167       90.82333 ?        ?        81.82665 22.51281 0.000000       22.51281 
1 1 1 19  17  17 o 137.4335 14.53697 479.7470       94.06969 0.000000       0.000000 479.7470       94.06969 ?        ?        137.4335 14.53697 0.000000       14.53697 
1 1 1 19  17  18 o 128.2482 16.85666 427.7514       100.8551 0.000000       0.000000 427.7514       100.8551 ?        ?        128.2482 16.85666 0.000000       16.85666 
1 1 1 19  17  19 o 135.6923 16.43202 477.8707       104.4302 0.000000       0.000000 477.8707       104.4302 ?        ?        135.6923 16.43202 0.000000       16.43202 
1 1 1 19  17  20 o 169.8929 14.88228 739.5329       119.6601 0.000000       0.000000 739.5329       119.6601 ?        ?        169.8929 14.88228 0.000000       14.88228 
1 1 1 19  17  21 o 41.11232 16.95277 20.85807       53.90230 0.000000       0.000000 20.85807       53.90230 ?        ?        41.11232 16.95277 0.000000       16.95277 
1 1 1 19  17  22 o 50.11948 21.32897 28.04728       89.53058 347.4689       193.6448 -58.79708      100.9705 98.52888 33.93583 43.06921 20.07041 55.45966       39.42667 
1 1 1 19  17  23 o 62.66090 23.07579 106.4432       90.99946 -29.24796      201.6586 141.1394       101.9722 60.91138 28.37792 69.47961 24.57894 -8.568233      37.54239 
1 1 1 19  18  0  o 117.3280 18.20703 361.0377       98.82074 0.000000       0.000000 361.0377       98.82074 ?        ?        117.3280 18.20703 0.000000       18.20703 
1 1 1 19  18  1  o 45.57804 18.76989 24.38442       65.96371 0.000000       0.000000 24.38442       65.96371 ?        ?        45.57804 18.76989 0.000000       18.76989 
1 1 1 19  18  2  o 136.3569 21.00018 495.3730       132.5138 0.000000       0.000000 495.3730       132.5138 ?        ?        136.3569 21.00018 0.000000       21.00018 
1 1 1 19  18  3  o 42.91262 18.45251 4.038340       68.28626 0.000000       0.000000 4.038340       68.28626 ?        ?        42.91262 18.45251 0.000000       18.45251 
1 1 1 19  18  4  o 73.82841 25.99082 142.8434       113.9166 0.000000       0.000000 142.8434       113.9166 ?        ?        73.82841 25.99082 0.000000       25.99082 
1 1 1 19  18  5  o 118.7624 14.61959 357.1159       81.25873 0.000000       0.000000 357.1159       81.25873 ?        ?        118.7624 14.61959 0.000000       14.61959 
1 1 1 19  18  6  o 59.94241 22.74578 78.05872       89.77068 0.000000       0.000000 78.05872       89.77068 ?        ?        59.94241 22.74578 0.000000       22.74578 
1 1 1 19  18  7  o 195.1297 14.06862 953.2535       130.3641 0.000000       0.000000 953.2535       130.3641 ?        ?        195.1297 14.06862 0.000000       14.06862 
1 1 1 19  18  8  o 48.05090 21.08940 -5.471787      93.06672 0.000000       0.000000 -5.471787      93.06672 ?        ?        48.05090 21.08940 0.000000       21.08940 
1 1 1 19  18  9  o 107.9189 17.24236 302.3231       85.96901 0.000000       0.000000 302.3231       85.96901 ?        ?        107.9189 17.24236 0.000000       17.24236 
1 1 1 19  18  10 o 60.22918 22.79255 80.08380       89.99460 0.000000       0.000000 80.08380       89.99460 ?        ?        60.22918 22.79255 0.000000       22.79255 
1 1 1 19  18  11 o 127.7378 14.93477 414.2873       89.48719 0.000000       0.000000 414.2873       89.48719 ?        ?        127.7378 14.93477 0.000000       14.93477 
1 1 1 19  18  12 o 183.0256 12.71204 834.0430       110.5423 0.000000       0.000000 834.0430       110.5423 ?        ?        183.0256 12.71204 0.000000       12.71204 
1 1 1 19  18  13 o 163.8052 14.76745 678.8651       114.4085 0.000000       0.000000 678.8651       114.4085 ?        ?        163.8052 14.76745 0.000000       14.76745 
1 1 1 19  18  14 o 71.15586 19.15537 136.3350       66.59838 0.000000       0.000000 136.3350       66.59838 ?        ?        71.15586 19.15537 0.000000       19.15537 
1 1 1 19  18  15 o 48.47909 21.13702 2.668716       92.13751 0.000000       0.000000 2.668716       92.13751 ?        ?        48.47909 21.13702 0.000000       21.13702 
1 1 1 19  18  16 o 45.42477 18.89869 22.33023       67.81776 0.000000       0.000000 22.33023       67.81776 ?        ?        45.42477 18.89869 0.000000       18.89869 
1 1 1 19  18  17 o 66.89149 20.92270 121.4894       74.30338 0.000000       0.000000 121.4894       74.30338 ?        ?        66.89149 20.92270 0.000000       20.92270 
1 1 1 19  18  18 o 42.03043 19.86627 -90.37180      105.1677 0.000000       0.000000 -90.37180      105.1677 ?        ?        42.03043 19.86627 0.000000       19.86627 
1 1 1 19  18  19 o 83.03799 18.31617 187.7627       70.75871 0.000000       0.000000 187.7627       70.75871 ?        ?        83.03799 18.31617 0.000000       18.31617 
1 1 1 19  18  20 o 63.34938 19.45835 110.4763       64.59943 0.000000       0.000000 110.4763       64.59943 ?        ?        63.34938 19.45835 0.000000       19.45835 
1 1 1 19  18  21 o 52.61637 18.68602 69.87901       58.98635 0.000000       0.000000 69.87901       58.98635 ?        ?        52.61637 18.68602 0.000000       18.68602 
1 1 1 19  18  22 o 87.38685 23.33026 228.5815       99.29693 0.000000       0.000000 228.5815       99.29693 ?        ?        87.38685 23.33026 0.000000       23.33026 
1 1 1 19  19  0  o 74.21323 23.60298 154.3656       94.19289 0.000000       0.000000 154.3656       94.19289 ?        ?        74.21323 23.60298 0.000000       23.60298 
1 1 1 19  19  1  o 213.4880 13.86342 1149.241       140.7334 0.000000       0.000000 1149.241       140.7334 ?        ?        213.4880 13.86342 0.000000       13.86342 
1 1 1 19  19  2  o 58.61956 23.80917 60.72348       104.3319 0.000000       0.000000 60.72348       104.3319 ?        ?        58.61956 23.80917 0.000000       23.80917 
1 1 1 19  19  3  o 32.30996 14.53860 -18.46021      47.10788 0.000000       0.000000 -18.46021      47.10788 ?        ?        32.30996 14.53860 0.000000       14.53860 
1 1 1 19  19  4  o 54.18404 20.60509 62.36091       73.76569 0.000000       0.000000 62.36091       73.76569 ?        ?        54.18404 20.60509 0.000000       20.60509 
1 1 1 19  19  5  o 61.40467 20.82429 96.42382       72.85859 0.000000       0.000000 96.42382       72.85859 ?        ?        61.40467 20.82429 0.000000       20.82429 
1 1 1 19  19  6  o 83.92729 22.77760 195.6204       93.71017 0.000000       0.000000 195.6204       93.71017 ?        ?        83.92729 22.77760 0.000000       22.77760 
1 1 1 19  19  7  o 67.39817 20.87332 121.5057       74.15326 0.000000       0.000000 121.5057       74.15326 ?        ?        67.39817 20.87332 0.000000       20.87332 
1 1 1 19  19  8  o 117.6220 16.76343 358.1345       91.60236 0.000000       0.000000 358.1345       91.60236 ?        ?        117.6220 16.76343 0.000000       16.76343 
1 1 1 19  19  9  o 77.44818 24.89395 166.5445       104.5671 0.000000       0.000000 166.5445       104.5671 ?        ?        77.44818 24.89395 0.000000       24.89395 
1 1 1 19  19  10 o 118.9905 17.70305 369.9722       97.64636 0.000000       0.000000 369.9722       97.64636 ?        ?        118.9905 17.70305 0.000000       17.70305 
1 1 1 19  19  11 o 58.64831 22.26670 76.31612       86.05704 0.000000       0.000000 76.31612       86.05704 ?        ?        58.64831 22.26670 0.000000       22.26670 
1 1 1 19  19  12 o 140.8218 13.79180 500.8089       91.66437 0.000000       0.000000 500.8089       91.66437 ?        ?        140.8218 13.79180 0.000000       13.79180 
1 1 1 19  19  13 o 24.67554 11.98529 -72.48161      44.54040 0.000000       0.000000 -72.48161      44.54040 ?        ?        24.67554 11.98529 0.000000       11.98529 
1 1 1 19  19  14 o 50.14822 21.15124 25.74022       86.73601 0.000000       0.000000 25.74022       86.73601 ?        ?        50.14822 21.15124 0.000000       21.15124 
1 1 1 19  19  15 o 55.65030 19.27090 77.98067       62.47654 0.000000       0.000000 77.98067       62.47654 ?        ?        55.65030 19.27090 0.000000       19.27090 
1 1 1 19  19  16 o 152.4598 14.06334 592.7105       101.3521 0.000000       0.000000 592.7105       101.3521 ?        ?        152.4598 14.06334 0.000000       14.06334 
1 1 1 19  19  17 o 72.46152 26.62980 147.5536       121.0855 0.000000       0.000000 147.5536       121.0855 ?        ?        72.46152 26.62980 0.000000       26.62980 
1 1 1 19  19  18 o 66.26202 25.17425 115.3201       110.0439 0.000000       0.000000 115.3201       110.0439 ?        ?        66.26202 25.17425 0.000000       25.17425 
1 1 1 19  19  19 o 80.85230 20.96827 187.0215       81.72666 0.000000       0.000000 187.0215       81.72666 ?        ?        80.85230 20.96827 0.000000       20.96827 
1 1 1 19  19  20 o 59.51750 19.57381 96.94929       64.44833 0.000000       0.000000 96.94929       64.44833 ?        ?        59.51750 19.57381 0.000000       19.57381 
1 1 1 19  20  2  o 59.44728 22.76337 81.45704       90.42888 0.000000       0.000000 81.45704       90.42888 ?        ?        59.44728 22.76337 0.000000       22.76337 
1 1 1 19  20  3  o 72.01820 17.56021 139.8714       59.90829 0.000000       0.000000 139.8714       59.90829 ?        ?        72.01820 17.56021 0.000000       17.56021 
1 1 1 19  20  4  o 50.56735 20.38768 43.40512       75.86478 0.000000       0.000000 43.40512       75.86478 ?        ?        50.56735 20.38768 0.000000       20.38768 
1 1 1 19  20  5  o 69.26147 21.37830 132.1505       77.86102 0.000000       0.000000 132.1505       77.86102 ?        ?        69.26147 21.37830 0.000000       21.37830 
1 1 1 19  20  6  o 99.81120 17.19147 263.3185       79.07523 0.000000       0.000000 263.3185       79.07523 ?        ?        99.81120 17.19147 0.000000       17.19147 
1 1 1 19  20  7  o 103.0655 20.92976 292.3156       99.60556 0.000000       0.000000 292.3156       99.60556 ?        ?        103.0655 20.92976 0.000000       20.92976 
1 1 1 19  20  8  o 56.80039 21.61367 72.54171       81.19566 0.000000       0.000000 72.54171       81.19566 ?        ?        56.80039 21.61367 0.000000       21.61367 
1 1 1 19  20  9  o 47.16645 20.28773 12.10702       82.59172 0.000000       0.000000 12.10702       82.59172 ?        ?        47.16645 20.28773 0.000000       20.28773 
1 1 1 19  20  10 o 72.16812 30.56889 103.7149       182.4449 0.000000       0.000000 103.7149       182.4449 ?        ?        72.16812 30.56889 0.000000       30.56889 
1 1 1 19  20  11 f 76.80309 19.36788 162.0164       71.09197 0.000000       0.000000 162.0164       71.09197 ?        ?        76.80309 19.36788 0.000000       19.36788 
1 1 1 19  20  12 o 51.13986 21.36065 34.17699       87.13966 0.000000       0.000000 34.17699       87.13966 ?        ?        51.13986 21.36065 0.000000       21.36065 
1 1 1 19  20  13 o 198.9677 12.46841 994.9749       118.0085 0.000000       0.000000 994.9749       118.0085 ?        ?        198.9677 12.46841 0.000000       12.46841 
1 1 1 19  20  14 o 57.54094 19.76412 86.19453       65.66743 0.000000       0.000000 86.19453       65.66743 ?        ?        57.54094 19.76412 0.000000       19.76412 
1 1 1 19  20  15 f 117.9629 15.17691 362.4607       83.61180 0.000000       0.000000 362.4607       83.61180 ?        ?        117.9629 15.17691 0.000000       15.17691 
1 1 1 19  20  16 o 95.22047 22.02364 260.2935       98.26290 0.000000       0.000000 260.2935       98.26290 ?        ?        95.22047 22.02364 0.000000       22.02364 
1 1 1 20  1   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3   15 o 54.22186 18.88277 77.00890       60.02597 0.000000       0.000000 77.00890       60.02597 ?        ?        54.22186 18.88277 0.000000       18.88277 
1 1 1 20  3   16 o 58.16417 15.66011 91.99971       44.50781 0.000000       0.000000 91.99971       44.50781 ?        ?        58.16417 15.66011 0.000000       15.66011 
1 1 1 20  3   17 o 62.90114 15.81993 108.4040       47.52180 0.000000       0.000000 108.4040       47.52180 ?        ?        62.90114 15.81993 0.000000       15.81993 
1 1 1 20  3   18 o 37.01354 15.92625 6.887999       50.93158 0.000000       0.000000 6.887999       50.93158 ?        ?        37.01354 15.92625 0.000000       15.92625 
1 1 1 20  4   0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4   13 o 29.93095 13.35006 -11.60495      38.78274 0.000000       0.000000 -11.60495      38.78274 ?        ?        29.93095 13.35006 0.000000       13.35006 
1 1 1 20  4   14 o 33.64440 14.85941 -8.093719      46.88207 0.000000       0.000000 -8.093719      46.88207 ?        ?        33.64440 14.85941 0.000000       14.85941 
1 1 1 20  4   15 f 33.47033 14.69402 -5.209116      45.20784 0.000000       0.000000 -5.209116      45.20784 ?        ?        33.47033 14.69402 0.000000       14.69402 
1 1 1 20  4   16 o 41.66078 15.32470 38.51052       40.11482 0.000000       0.000000 38.51052       40.11482 ?        ?        41.66078 15.32470 0.000000       15.32470 
1 1 1 20  4   17 o 67.63177 18.96816 128.4319       63.80096 0.000000       0.000000 128.4319       63.80096 ?        ?        67.63177 18.96816 0.000000       18.96816 
1 1 1 20  4   18 o 55.60281 17.75783 84.01971       53.27224 0.000000       0.000000 84.01971       53.27224 ?        ?        55.60281 17.75783 0.000000       17.75783 
1 1 1 20  4   19 o 72.79041 19.60787 152.6608       69.75510 0.000000       0.000000 152.6608       69.75510 ?        ?        72.79041 19.60787 0.000000       19.60787 
1 1 1 20  5   0  o 129.8372 19.19844 450.5445       115.5834 0.000000       0.000000 450.5445       115.5834 ?        ?        129.8372 19.19844 0.000000       19.19844 
1 1 1 20  5   1  o 129.2444 13.52799 423.0492       82.35297 0.000000       0.000000 423.0492       82.35297 ?        ?        129.2444 13.52799 0.000000       13.52799 
1 1 1 20  5   2  o 113.0254 14.21811 326.0507       75.13307 0.000000       0.000000 326.0507       75.13307 ?        ?        113.0254 14.21811 0.000000       14.21811 
1 1 1 20  5   3  o 63.64227 20.16441 108.0421       68.80293 0.000000       0.000000 108.0421       68.80293 ?        ?        63.64227 20.16441 0.000000       20.16441 
1 1 1 20  5   4  o 35.83403 16.03225 -17.02071      56.38888 0.000000       0.000000 -17.02071      56.38888 ?        ?        35.83403 16.03225 0.000000       16.03225 
1 1 1 20  5   5  f 52.19475 19.69699 58.68251       67.10138 0.000000       0.000000 58.68251       67.10138 ?        ?        52.19475 19.69699 0.000000       19.69699 
1 1 1 20  5   6  o 63.29714 17.24218 106.5339       53.58115 0.000000       0.000000 106.5339       53.58115 ?        ?        63.29714 17.24218 0.000000       17.24218 
1 1 1 20  5   7  o 75.61295 15.33185 149.3157       53.52526 0.000000       0.000000 149.3157       53.52526 ?        ?        75.61295 15.33185 0.000000       15.33185 
1 1 1 20  5   8  o 109.9326 11.95324 302.6081       61.81297 0.000000       0.000000 302.6081       61.81297 ?        ?        109.9326 11.95324 0.000000       11.95324 
1 1 1 20  5   9  o 96.40989 12.99993 235.5294       58.39434 0.000000       0.000000 235.5294       58.39434 ?        ?        96.40989 12.99993 0.000000       12.99993 
1 1 1 20  5   10 o 96.87312 16.39201 245.4460       73.21283 0.000000       0.000000 245.4460       73.21283 ?        ?        96.87312 16.39201 0.000000       16.39201 
1 1 1 20  5   11 o 94.24087 14.53686 228.7002       63.39265 0.000000       0.000000 228.7002       63.39265 ?        ?        94.24087 14.53686 0.000000       14.53686 
1 1 1 20  5   12 o 106.3827 11.41667 283.1619       57.15826 0.000000       0.000000 283.1619       57.15826 ?        ?        106.3827 11.41667 0.000000       11.41667 
1 1 1 20  5   13 o 74.57140 19.62551 152.6971       70.90602 0.000000       0.000000 152.6971       70.90602 ?        ?        74.57140 19.62551 0.000000       19.62551 
1 1 1 20  5   14 o 136.4626 11.53914 465.2991       74.57780 0.000000       0.000000 465.2991       74.57780 ?        ?        136.4626 11.53914 0.000000       11.53914 
1 1 1 20  5   15 o 84.30565 17.19390 190.2269       66.94975 0.000000       0.000000 190.2269       66.94975 ?        ?        84.30565 17.19390 0.000000       17.19390 
1 1 1 20  5   16 o 31.37011 13.55882 -0.6257597     37.23946 0.000000       0.000000 -0.6257597     37.23946 ?        ?        31.37011 13.55882 0.000000       13.55882 
1 1 1 20  5   17 o 129.6396 11.80857 423.1942       72.38612 0.000000       0.000000 423.1942       72.38612 ?        ?        129.6396 11.80857 0.000000       11.80857 
1 1 1 20  5   18 o 63.89644 17.45377 111.8808       54.81569 0.000000       0.000000 111.8808       54.81569 ?        ?        63.89644 17.45377 0.000000       17.45377 
1 1 1 20  5   19 o 34.29102 15.91005 -39.92826      62.37837 0.000000       0.000000 -39.92826      62.37837 ?        ?        34.29102 15.91005 0.000000       15.91005 
1 1 1 20  5   20 o 78.58936 31.23605 207.2122       175.4857 207.2122       175.4857 0.000000       0.000000 78.58936 31.23605 ?        ?        0.000000       31.23605 
1 1 1 20  5   21 o 69.53056 29.85253 129.9881       178.2094 161.4523       205.5793 34.85939       357.4600 73.43713 31.79918 72.55062 34.92277 0.8865051      47.23122 
1 1 1 20  6   0  o 47.81801 20.52795 12.28679       84.24869 0.000000       0.000000 12.28679       84.24869 ?        ?        47.81801 20.52795 0.000000       20.52795 
1 1 1 20  6   1  o 104.5456 21.61758 299.8197       104.4790 0.000000       0.000000 299.8197       104.4790 ?        ?        104.5456 21.61758 0.000000       21.61758 
1 1 1 20  6   2  o 164.1071 14.83573 683.0771       115.1419 0.000000       0.000000 683.0771       115.1419 ?        ?        164.1071 14.83573 0.000000       14.83573 
1 1 1 20  6   3  o 50.64326 20.72951 36.08472       79.83147 0.000000       0.000000 36.08472       79.83147 ?        ?        50.64326 20.72951 0.000000       20.72951 
1 1 1 20  6   4  o 60.62095 19.76831 95.03316       65.79724 0.000000       0.000000 95.03316       65.79724 ?        ?        60.62095 19.76831 0.000000       19.76831 
1 1 1 20  6   5  o 89.73012 18.85674 214.6714       78.31917 0.000000       0.000000 214.6714       78.31917 ?        ?        89.73012 18.85674 0.000000       18.85674 
1 1 1 20  6   6  o 88.81276 29.38464 229.6771       145.1708 0.000000       0.000000 229.6771       145.1708 ?        ?        88.81276 29.38464 0.000000       29.38464 
1 1 1 20  6   7  o 67.93818 19.71182 123.5579       67.76201 0.000000       0.000000 123.5579       67.76201 ?        ?        67.93818 19.71182 0.000000       19.71182 
1 1 1 20  6   8  o 79.88198 26.60363 178.0760       118.9442 0.000000       0.000000 178.0760       118.9442 ?        ?        79.88198 26.60363 0.000000       26.60363 
1 1 1 20  6   9  o 124.6975 12.92152 389.9052       75.91842 0.000000       0.000000 389.9052       75.91842 ?        ?        124.6975 12.92152 0.000000       12.92152 
1 1 1 20  6   10 o 63.20738 21.59793 102.6820       78.39358 0.000000       0.000000 102.6820       78.39358 ?        ?        63.20738 21.59793 0.000000       21.59793 
1 1 1 20  6   11 o 56.16715 17.53817 81.66451       52.23189 0.000000       0.000000 81.66451       52.23189 ?        ?        56.16715 17.53817 0.000000       17.53817 
1 1 1 20  6   12 o 104.8194 18.19351 290.7609       87.86812 0.000000       0.000000 290.7609       87.86812 ?        ?        104.8194 18.19351 0.000000       18.19351 
1 1 1 20  6   13 o 97.25292 12.41137 238.5205       56.39412 0.000000       0.000000 238.5205       56.39412 ?        ?        97.25292 12.41137 0.000000       12.41137 
1 1 1 20  6   14 o 98.36051 16.34899 253.1941       74.18338 0.000000       0.000000 253.1941       74.18338 ?        ?        98.36051 16.34899 0.000000       16.34899 
1 1 1 20  6   15 o 42.95601 16.08545 38.41009       44.56292 0.000000       0.000000 38.41009       44.56292 ?        ?        42.95601 16.08545 0.000000       16.08545 
1 1 1 20  6   16 f 123.3955 13.84642 388.1673       80.27804 0.000000       0.000000 388.1673       80.27804 ?        ?        123.3955 13.84642 0.000000       13.84642 
1 1 1 20  6   17 o 55.64746 19.50354 78.00301       64.09768 0.000000       0.000000 78.00301       64.09768 ?        ?        55.64746 19.50354 0.000000       19.50354 
1 1 1 20  6   18 o 37.82990 17.22493 -28.83042      68.50102 0.000000       0.000000 -28.83042      68.50102 ?        ?        37.82990 17.22493 0.000000       17.22493 
1 1 1 20  6   19 o 74.97920 32.29658 134.8492       209.8750 0.000000       0.000000 134.8492       209.8750 ?        ?        74.97920 32.29658 0.000000       32.29658 
1 1 1 20  6   20 o 62.00675 26.22177 74.25760       133.8799 40.12354       178.4820 118.1719       202.4433 63.48960 28.45537 71.92280 31.34532 -8.433193      42.33482 
1 1 1 20  6   21 o 53.17123 22.81227 37.28194       103.9248 89.84624       120.3185 -117.1490      206.2310 61.98927 25.41978 56.09381 26.87668 5.895458       36.99353 
1 1 1 20  6   22 o 64.83741 28.98755 70.49634       183.9889 162.9284       216.0487 -173.4777      351.0042 74.06295 32.32794 65.64642 32.25620 8.416527       45.66790 
1 1 1 20  7   0  o 72.72187 24.78131 142.8501       103.1932 0.000000       0.000000 142.8501       103.1932 ?        ?        72.72187 24.78131 0.000000       24.78131 
1 1 1 20  7   1  o 57.82787 21.88663 73.26424       82.98911 0.000000       0.000000 73.26424       82.98911 ?        ?        57.82787 21.88663 0.000000       21.88663 
1 1 1 20  7   2  o 134.5997 15.41442 461.2296       97.40553 0.000000       0.000000 461.2296       97.40553 ?        ?        134.5997 15.41442 0.000000       15.41442 
1 1 1 20  7   3  o 265.7805 11.67459 1742.372       147.9832 0.000000       0.000000 1742.372       147.9832 ?        ?        265.7805 11.67459 0.000000       11.67459 
1 1 1 20  7   4  o 53.83710 21.75592 45.56379       86.60899 0.000000       0.000000 45.56379       86.60899 ?        ?        53.83710 21.75592 0.000000       21.75592 
1 1 1 20  7   5  o 42.88580 18.22856 9.009267       65.25727 0.000000       0.000000 9.009267       65.25727 ?        ?        42.88580 18.22856 0.000000       18.22856 
1 1 1 20  7   6  o 96.11088 24.52599 257.4026       113.0530 0.000000       0.000000 257.4026       113.0530 ?        ?        96.11088 24.52599 0.000000       24.52599 
1 1 1 20  7   7  o 84.76847 23.62676 198.2991       99.31827 0.000000       0.000000 198.2991       99.31827 ?        ?        84.76847 23.62676 0.000000       23.62676 
1 1 1 20  7   8  o 103.5855 15.43111 274.2575       74.09068 0.000000       0.000000 274.2575       74.09068 ?        ?        103.5855 15.43111 0.000000       15.43111 
1 1 1 20  7   9  f 209.3377 11.25218 1078.797       112.2001 0.000000       0.000000 1078.797       112.2001 ?        ?        209.3377 11.25218 0.000000       11.25218 
1 1 1 20  7   10 o 36.61485 16.15481 -10.59788      55.27782 0.000000       0.000000 -10.59788      55.27782 ?        ?        36.61485 16.15481 0.000000       16.15481 
1 1 1 20  7   11 o 40.86586 18.35343 -23.80681      74.67255 0.000000       0.000000 -23.80681      74.67255 ?        ?        40.86586 18.35343 0.000000       18.35343 
1 1 1 20  7   12 o 127.9662 10.88263 404.8773       65.94802 0.000000       0.000000 404.8773       65.94802 ?        ?        127.9662 10.88263 0.000000       10.88263 
1 1 1 20  7   13 o 82.36791 16.59600 178.1061       63.09248 0.000000       0.000000 178.1061       63.09248 ?        ?        82.36791 16.59600 0.000000       16.59600 
1 1 1 20  7   14 o 103.3378 18.27748 282.8743       86.99632 0.000000       0.000000 282.8743       86.99632 ?        ?        103.3378 18.27748 0.000000       18.27748 
1 1 1 20  7   15 o 47.35194 18.52617 41.44628       60.86649 0.000000       0.000000 41.44628       60.86649 ?        ?        47.35194 18.52617 0.000000       18.52617 
1 1 1 20  7   16 o 39.27199 16.88383 4.001738       57.14892 0.000000       0.000000 4.001738       57.14892 ?        ?        39.27199 16.88383 0.000000       16.88383 
1 1 1 20  7   17 o 130.5855 47.70839 775.7849       387.7500 0.000000       0.000000 775.7849       387.7500 ?        ?        130.5855 47.70839 0.000000       47.70839 
1 1 1 20  7   18 o 33.49389 15.43986 -35.78622      57.36172 0.000000       0.000000 -35.78622      57.36172 ?        ?        33.49389 15.43986 0.000000       15.43986 
1 1 1 20  7   19 o 66.06010 20.84133 120.3438       73.57083 0.000000       0.000000 120.3438       73.57083 ?        ?        66.06010 20.84133 0.000000       20.84133 
1 1 1 20  7   20 o 44.56513 18.42450 26.47974       63.89124 3.297228       180.8281 29.78665       68.29633 61.80219 28.07988 46.14729 19.06100 15.65490       33.93819 
1 1 1 20  7   21 o 144.8081 22.32429 600.1536       149.5929 932.8142       216.8364 298.0314       206.6440 175.0900 26.75129 90.21004 34.44339 84.87991       43.61167 
1 1 1 20  7   22 o 119.8711 27.19040 454.8540       152.2314 331.8893       229.2257 551.8792       203.6176 91.15570 35.86605 123.6330 33.58466 -32.47733      49.13556 
1 1 1 20  7   23 o 46.71004 22.38232 -113.0217      143.0874 -169.1966      212.0639 -66.07228      193.8701 53.76399 26.12275 56.64045 26.83156 -2.876465      37.44771 
1 1 1 20  8   0  o 53.85576 21.23149 53.40392       80.46494 0.000000       0.000000 53.40392       80.46494 ?        ?        53.85576 21.23149 0.000000       21.23149 
1 1 1 20  8   1  o 80.56278 22.23996 177.7881       88.46714 0.000000       0.000000 177.7881       88.46714 ?        ?        80.56278 22.23996 0.000000       22.23996 
1 1 1 20  8   2  o 160.4795 13.68314 644.0819       103.9813 0.000000       0.000000 644.0819       103.9813 ?        ?        160.4795 13.68314 0.000000       13.68314 
1 1 1 20  8   3  o 164.7591 13.01360 675.1547       101.6756 0.000000       0.000000 675.1547       101.6756 ?        ?        164.7591 13.01360 0.000000       13.01360 
1 1 1 20  8   4  o 288.2600 11.54878 2042.321       158.8360 0.000000       0.000000 2042.321       158.8360 ?        ?        288.2600 11.54878 0.000000       11.54878 
1 1 1 20  8   5  o 190.8981 21.08739 955.5002       189.2525 0.000000       0.000000 955.5002       189.2525 ?        ?        190.8981 21.08739 0.000000       21.08739 
1 1 1 20  8   6  o 102.4152 15.77178 267.9971       74.74944 0.000000       0.000000 267.9971       74.74944 ?        ?        102.4152 15.77178 0.000000       15.77178 
1 1 1 20  8   7  f 163.9942 13.26281 668.7399       103.0989 0.000000       0.000000 668.7399       103.0989 ?        ?        163.9942 13.26281 0.000000       13.26281 
1 1 1 20  8   8  o 54.57092 22.02251 46.09439       88.61078 0.000000       0.000000 46.09439       88.61078 ?        ?        54.57092 22.02251 0.000000       22.02251 
1 1 1 20  8   9  f 125.1602 12.70374 389.9859       74.96426 0.000000       0.000000 389.9859       74.96426 ?        ?        125.1602 12.70374 0.000000       12.70374 
1 1 1 20  8   10 o 128.4818 15.44115 418.5956       92.94978 0.000000       0.000000 418.5956       92.94978 ?        ?        128.4818 15.44115 0.000000       15.44115 
1 1 1 20  8   11 o 94.63861 19.27613 237.3946       84.25031 0.000000       0.000000 237.3946       84.25031 ?        ?        94.63861 19.27613 0.000000       19.27613 
1 1 1 20  8   12 o 104.0589 16.73296 280.0243       80.42373 0.000000       0.000000 280.0243       80.42373 ?        ?        104.0589 16.73296 0.000000       16.73296 
1 1 1 20  8   13 o 128.6496 14.24302 417.9908       86.13741 0.000000       0.000000 417.9908       86.13741 ?        ?        128.6496 14.24302 0.000000       14.24302 
1 1 1 20  8   14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  8   15 o 108.3825 14.65196 300.0856       73.97850 0.000000       0.000000 300.0856       73.97850 ?        ?        108.3825 14.65196 0.000000       14.65196 
1 1 1 20  8   16 o 79.91129 18.92247 172.6355       71.16849 0.000000       0.000000 172.6355       71.16849 ?        ?        79.91129 18.92247 0.000000       18.92247 
1 1 1 20  8   17 o 144.3796 13.17498 525.6177       89.94095 0.000000       0.000000 525.6177       89.94095 ?        ?        144.3796 13.17498 0.000000       13.17498 
1 1 1 20  8   18 f 105.7371 16.25680 292.3240       79.55340 0.000000       0.000000 292.3240       79.55340 ?        ?        105.7371 16.25680 0.000000       16.25680 
1 1 1 20  8   19 o 35.42881 16.54163 -53.01154      69.11761 0.000000       0.000000 -53.01154      69.11761 ?        ?        35.42881 16.54163 0.000000       16.54163 
1 1 1 20  8   20 o 58.01408 20.82342 85.17266       73.44796 187.1542       190.2217 67.30468       79.62273 80.32043 32.31849 55.17667 21.29990 25.14376       38.70621 
1 1 1 20  8   21 o 51.34506 24.82910 -180.2498      185.7807 -222.1309      205.7058 5.061015       432.7013 52.38964 25.51671 79.63058 38.35408 -27.24093      46.06667 
1 1 1 20  8   22 o 53.47237 23.67031 14.92147       119.6163 -24.62652      134.1050 168.8503       264.5713 52.17067 23.88616 78.40799 34.92706 -26.23732      42.31369 
1 1 1 20  8   23 o 64.67601 26.53348 105.2361       131.1674 192.6248       148.3726 -207.3747      280.6260 76.89259 29.22713 59.94313 29.32685 16.94945       41.40398 
1 1 1 20  9   0  o 197.5814 12.01421 965.8120       112.9516 0.000000       0.000000 965.8120       112.9516 ?        ?        197.5814 12.01421 0.000000       12.01421 
1 1 1 20  9   1  o 151.6272 15.13840 580.8302       108.2749 0.000000       0.000000 580.8302       108.2749 ?        ?        151.6272 15.13840 0.000000       15.13840 
1 1 1 20  9   2  o 71.00894 23.94585 131.5714       96.33390 0.000000       0.000000 131.5714       96.33390 ?        ?        71.00894 23.94585 0.000000       23.94585 
1 1 1 20  9   3  o 114.7183 35.57206 407.2282       215.2847 0.000000       0.000000 407.2282       215.2847 ?        ?        114.7183 35.57206 0.000000       35.57206 
1 1 1 20  9   4  o 60.83881 25.70179 37.80126       128.4090 0.000000       0.000000 37.80126       128.4090 ?        ?        60.83881 25.70179 0.000000       25.70179 
1 1 1 20  9   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  9   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  9   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  9   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  9   9  o 107.9816 42.33207 359.4382       318.3287 0.000000       0.000000 359.4382       318.3287 ?        ?        107.9816 42.33207 0.000000       42.33207 
1 1 1 20  9   10 o 66.84850 21.69845 115.6188       79.32212 0.000000       0.000000 115.6188       79.32212 ?        ?        66.84850 21.69845 0.000000       21.69845 
1 1 1 20  9   11 o 131.7292 12.63642 431.3675       78.60713 0.000000       0.000000 431.3675       78.60713 ?        ?        131.7292 12.63642 0.000000       12.63642 
1 1 1 20  9   12 o 164.5480 11.90945 669.1110       93.05584 0.000000       0.000000 669.1110       93.05584 ?        ?        164.5480 11.90945 0.000000       11.90945 
1 1 1 20  9   13 o 70.41429 19.08926 132.0854       65.86148 0.000000       0.000000 132.0854       65.86148 ?        ?        70.41429 19.08926 0.000000       19.08926 
1 1 1 20  9   14 o 220.0891 11.19589 1193.219       117.4185 0.000000       0.000000 1193.219       117.4185 ?        ?        220.0891 11.19589 0.000000       11.19589 
1 1 1 20  9   15 o 44.13501 18.55342 15.76476       66.38751 0.000000       0.000000 15.76476       66.38751 ?        ?        44.13501 18.55342 0.000000       18.55342 
1 1 1 20  9   16 o 121.7148 15.18865 379.0790       86.46528 0.000000       0.000000 379.0790       86.46528 ?        ?        121.7148 15.18865 0.000000       15.18865 
1 1 1 20  9   17 o 80.08043 19.39536 174.2941       73.46025 0.000000       0.000000 174.2941       73.46025 ?        ?        80.08043 19.39536 0.000000       19.39536 
1 1 1 20  9   18 o 165.3070 14.60282 695.9139       114.2226 0.000000       0.000000 695.9139       114.2226 ?        ?        165.3070 14.60282 0.000000       14.60282 
1 1 1 20  9   19 o 75.98458 17.12464 154.6024       60.71509 0.000000       0.000000 154.6024       60.71509 ?        ?        75.98458 17.12464 0.000000       17.12464 
1 1 1 20  9   20 o 128.5670 13.25879 419.6909       80.32954 482.1992       139.5529 388.7164       98.23638 130.7243 23.17780 121.1805 17.45942 9.543755       29.01796 
1 1 1 20  9   21 o 95.61996 32.28340 307.1878       175.0964 369.9818       214.1857 180.6705       304.0231 101.2531 35.63926 83.45512 37.29015 17.79800       51.58209 
1 1 1 20  9   22 o 61.25648 28.07696 -5.501179      185.9742 42.72158       233.9146 -88.35663      306.6140 69.17238 31.62362 68.32732 32.74703 0.8450546      45.52385 
1 1 1 20  9   23 o 85.41158 28.89814 242.0467       140.3022 245.5892       156.7427 227.7675       314.6899 84.90488 30.42646 82.55296 37.32196 2.351929       48.15287 
1 1 1 20  9   24 o 86.31159 34.59145 291.8696       217.0066 285.5033       241.6520 318.3916       493.2311 84.89105 35.52295 84.99992 40.94243 -0.1088638     54.20482 
1 1 1 20  10  0  o 43.96402 19.86830 -32.38231      89.07971 0.000000       0.000000 -32.38231      89.07971 ?        ?        43.96402 19.86830 0.000000       19.86830 
1 1 1 20  10  1  o 65.26867 25.24305 91.08080       111.9858 0.000000       0.000000 91.08080       111.9858 ?        ?        65.26867 25.24305 0.000000       25.24305 
1 1 1 20  10  2  f 62.22424 21.38074 96.07703       76.85158 0.000000       0.000000 96.07703       76.85158 ?        ?        62.22424 21.38074 0.000000       21.38074 
1 1 1 20  10  3  o 104.2952 19.54409 286.0717       93.87155 0.000000       0.000000 286.0717       93.87155 ?        ?        104.2952 19.54409 0.000000       19.54409 
1 1 1 20  10  4  o 137.1864 17.43537 481.4033       111.7740 0.000000       0.000000 481.4033       111.7740 ?        ?        137.1864 17.43537 0.000000       17.43537 
1 1 1 20  10  5  o 130.5399 17.60732 436.6014       107.0873 0.000000       0.000000 436.6014       107.0873 ?        ?        130.5399 17.60732 0.000000       17.60732 
1 1 1 20  10  6  f 45.67652 17.74516 36.35770       55.52825 0.000000       0.000000 36.35770       55.52825 ?        ?        45.67652 17.74516 0.000000       17.74516 
1 1 1 20  10  7  o 151.2308 14.93463 573.4632       106.5718 0.000000       0.000000 573.4632       106.5718 ?        ?        151.2308 14.93463 0.000000       14.93463 
1 1 1 20  10  8  o 41.74015 18.85402 -32.46915      80.10126 0.000000       0.000000 -32.46915      80.10126 ?        ?        41.74015 18.85402 0.000000       18.85402 
1 1 1 20  10  9  f 119.5789 16.89134 365.4720       93.88056 0.000000       0.000000 365.4720       93.88056 ?        ?        119.5789 16.89134 0.000000       16.89134 
1 1 1 20  10  10 o 91.48586 19.15966 220.4367       81.11124 0.000000       0.000000 220.4367       81.11124 ?        ?        91.48586 19.15966 0.000000       19.15966 
1 1 1 20  10  11 f 81.00337 20.54404 175.6121       79.66554 0.000000       0.000000 175.6121       79.66554 ?        ?        81.00337 20.54404 0.000000       20.54404 
1 1 1 20  10  12 o 42.72616 18.11197 9.352793       64.13126 0.000000       0.000000 9.352793       64.13126 ?        ?        42.72616 18.11197 0.000000       18.11197 
1 1 1 20  10  13 o 90.71043 14.06991 208.8703       59.04258 0.000000       0.000000 208.8703       59.04258 ?        ?        90.71043 14.06991 0.000000       14.06991 
1 1 1 20  10  14 f 72.82208 20.13508 142.4497       72.44951 0.000000       0.000000 142.4497       72.44951 ?        ?        72.82208 20.13508 0.000000       20.13508 
1 1 1 20  10  15 o 79.88362 19.49062 171.6655       73.76762 0.000000       0.000000 171.6655       73.76762 ?        ?        79.88362 19.49062 0.000000       19.49062 
1 1 1 20  10  16 o 132.0971 14.65859 443.1390       91.01838 0.000000       0.000000 443.1390       91.01838 ?        ?        132.0971 14.65859 0.000000       14.65859 
1 1 1 20  10  17 o 43.59444 18.51510 12.00888       67.23363 0.000000       0.000000 12.00888       67.23363 ?        ?        43.59444 18.51510 0.000000       18.51510 
1 1 1 20  10  18 f 33.84462 15.92422 -60.63894      66.18351 0.000000       0.000000 -60.63894      66.18351 ?        ?        33.84462 15.92422 0.000000       15.92422 
1 1 1 20  10  19 o 115.7310 17.69762 353.9444       94.81403 0.000000       0.000000 353.9444       94.81403 ?        ?        115.7310 17.69762 0.000000       17.69762 
1 1 1 20  10  20 o 89.28152 19.87787 219.1528       82.66683 -1.232309      215.2768 257.2712       89.53099 66.77065 30.45377 96.85779 19.99725 -30.08714      36.43243 
1 1 1 20  10  21 o 62.28526 17.74624 105.0554       55.39740 0.3805525E-03  133.8837 126.7571       60.85084 55.39259 24.74884 68.08350 18.30224 -12.69092      30.78112 
1 1 1 20  10  22 o 48.60213 22.06629 -23.47758      111.4182 -36.98821      115.5596 154.9482       419.9496 48.18083 22.10179 84.39045 39.83093 -36.20962      45.55208 
1 1 1 20  10  23 o 123.7801 30.97963 513.9949       182.8792 507.6030       213.7874 531.4315       353.0988 116.4555 35.32595 102.3930 42.89972 14.06257       55.57255 
1 1 1 20  10  24 o 55.68525 24.21978 39.99060       120.3510 73.79271       128.0800 -214.9940      351.7762 60.47526 25.61419 65.10128 32.04794 -4.626022      41.02630 
1 1 1 20  11  0  o 172.1074 14.61201 744.7213       119.0959 0.000000       0.000000 744.7213       119.0959 ?        ?        172.1074 14.61201 0.000000       14.61201 
1 1 1 20  11  1  o 46.40904 18.76936 29.92538       64.52100 0.000000       0.000000 29.92538       64.52100 ?        ?        46.40904 18.76936 0.000000       18.76936 
1 1 1 20  11  2  o 163.3009 13.57693 664.6057       105.0403 0.000000       0.000000 664.6057       105.0403 ?        ?        163.3009 13.57693 0.000000       13.57693 
1 1 1 20  11  3  o 86.98256 22.46359 205.2612       94.06425 0.000000       0.000000 205.2612       94.06425 ?        ?        86.98256 22.46359 0.000000       22.46359 
1 1 1 20  11  4  o 51.97252 21.30879 34.23910       84.53115 0.000000       0.000000 34.23910       84.53115 ?        ?        51.97252 21.30879 0.000000       21.30879 
1 1 1 20  11  5  o 77.84145 24.27404 162.4828       100.0928 0.000000       0.000000 162.4828       100.0928 ?        ?        77.84145 24.27404 0.000000       24.27404 
1 1 1 20  11  6  o 142.5171 15.97978 513.1307       107.0066 0.000000       0.000000 513.1307       107.0066 ?        ?        142.5171 15.97978 0.000000       15.97978 
1 1 1 20  11  7  o 84.58405 17.86851 186.7048       69.99003 0.000000       0.000000 186.7048       69.99003 ?        ?        84.58405 17.86851 0.000000       17.86851 
1 1 1 20  11  8  o 121.8484 16.39813 377.6137       93.10349 0.000000       0.000000 377.6137       93.10349 ?        ?        121.8484 16.39813 0.000000       16.39813 
1 1 1 20  11  9  o 164.2039 12.63080 666.7356       98.39540 0.000000       0.000000 666.7356       98.39540 ?        ?        164.2039 12.63080 0.000000       12.63080 
1 1 1 20  11  10 o 99.84591 18.17983 259.2622       83.58559 0.000000       0.000000 259.2622       83.58559 ?        ?        99.84591 18.17983 0.000000       18.17983 
1 1 1 20  11  11 o 110.8381 13.97499 308.7219       72.41127 0.000000       0.000000 308.7219       72.41127 ?        ?        110.8381 13.97499 0.000000       13.97499 
1 1 1 20  11  12 o 107.8055 13.64698 291.9497       68.76375 0.000000       0.000000 291.9497       68.76375 ?        ?        107.8055 13.64698 0.000000       13.64698 
1 1 1 20  11  13 o 119.2072 15.38573 360.9998       85.64289 0.000000       0.000000 360.9998       85.64289 ?        ?        119.2072 15.38573 0.000000       15.38573 
1 1 1 20  11  14 o 196.3978 11.75129 952.4065       109.8348 0.000000       0.000000 952.4065       109.8348 ?        ?        196.3978 11.75129 0.000000       11.75129 
1 1 1 20  11  15 o 116.6168 16.57630 350.6581       89.81809 0.000000       0.000000 350.6581       89.81809 ?        ?        116.6168 16.57630 0.000000       16.57630 
1 1 1 20  11  16 o 209.4580 11.93033 1087.392       118.9756 0.000000       0.000000 1087.392       118.9756 ?        ?        209.4580 11.93033 0.000000       11.93033 
1 1 1 20  11  17 o 42.06538 18.38061 -3.236708      70.00168 0.000000       0.000000 -3.236708      70.00168 ?        ?        42.06538 18.38061 0.000000       18.38061 
1 1 1 20  11  18 o 180.6839 12.95883 818.7922       111.1988 0.000000       0.000000 818.7922       111.1988 ?        ?        180.6839 12.95883 0.000000       12.95883 
1 1 1 20  11  19 o 80.10850 16.27110 169.4958       60.18753 0.000000       0.000000 169.4958       60.18753 ?        ?        80.10850 16.27110 0.000000       16.27110 
1 1 1 20  11  20 o 135.0559 13.79044 463.9998       87.79471 603.5227       153.3952 396.0300       107.0649 147.5003 22.46066 121.4571 19.06529 26.04318       29.46128 
1 1 1 20  11  21 o 112.5684 17.86847 338.4435       92.95477 356.9504       232.9204 334.9376       101.3778 99.43767 36.86452 110.6369 19.89762 -11.19923      41.89162 
1 1 1 20  11  22 o 58.78745 25.62119 37.14623       135.2616 60.19745       139.9455 -290.0278      527.2317 61.84010 26.50065 76.29186 37.85886 -14.45176      46.21231 
1 1 1 20  11  23 o 57.67480 26.36454 -9.338139      162.5278 -32.24270      205.6221 28.79762       265.3231 61.32383 28.59853 70.09857 32.62197 -8.774746      43.38282 
1 1 1 20  11  24 o 105.0145 25.78913 344.9600       128.5168 317.4606       145.4531 442.8463       274.4241 96.98816 29.07675 98.55617 39.09700 -1.568008      48.72404 
1 1 1 20  12  0  o 148.1553 13.89022 550.6316       97.23894 0.000000       0.000000 550.6316       97.23894 ?        ?        148.1553 13.89022 0.000000       13.89022 
1 1 1 20  12  1  o 44.96812 19.56997 -1.974670      78.67297 0.000000       0.000000 -1.974670      78.67297 ?        ?        44.96812 19.56997 0.000000       19.56997 
1 1 1 20  12  2  f 90.79441 19.59151 218.9969       82.54359 0.000000       0.000000 218.9969       82.54359 ?        ?        90.79441 19.59151 0.000000       19.59151 
1 1 1 20  12  3  o 176.7939 13.37933 777.0568       112.2469 0.000000       0.000000 777.0568       112.2469 ?        ?        176.7939 13.37933 0.000000       13.37933 
1 1 1 20  12  4  o 142.7319 14.83314 511.9168       99.74462 0.000000       0.000000 511.9168       99.74462 ?        ?        142.7319 14.83314 0.000000       14.83314 
1 1 1 20  12  5  o 228.7793 13.07366 1294.486       142.4002 0.000000       0.000000 1294.486       142.4002 ?        ?        228.7793 13.07366 0.000000       13.07366 
1 1 1 20  12  6  o 207.3543 13.29538 1064.883       131.1076 0.000000       0.000000 1064.883       131.1076 ?        ?        207.3543 13.29538 0.000000       13.29538 
1 1 1 20  12  7  o 43.89614 17.79334 24.57786       58.13468 0.000000       0.000000 24.57786       58.13468 ?        ?        43.89614 17.79334 0.000000       17.79334 
1 1 1 20  12  8  o 146.7567 15.65613 543.0226       108.1533 0.000000       0.000000 543.0226       108.1533 ?        ?        146.7567 15.65613 0.000000       15.65613 
1 1 1 20  12  9  o 79.06053 23.05129 168.5589       92.46370 0.000000       0.000000 168.5589       92.46370 ?        ?        79.06053 23.05129 0.000000       23.05129 
1 1 1 20  12  10 o 171.5143 13.61042 731.6593       110.6897 0.000000       0.000000 731.6593       110.6897 ?        ?        171.5143 13.61042 0.000000       13.61042 
1 1 1 20  12  11 f 94.50448 19.95997 236.9557       87.35011 0.000000       0.000000 236.9557       87.35011 ?        ?        94.50448 19.95997 0.000000       19.95997 
1 1 1 20  12  12 o 114.4628 16.59940 335.8861       88.19004 0.000000       0.000000 335.8861       88.19004 ?        ?        114.4628 16.59940 0.000000       16.59940 
1 1 1 20  12  13 f 76.72241 20.70181 158.4901       77.67675 0.000000       0.000000 158.4901       77.67675 ?        ?        76.72241 20.70181 0.000000       20.70181 
1 1 1 20  12  14 o 157.2261 13.46905 618.0504       100.2697 0.000000       0.000000 618.0504       100.2697 ?        ?        157.2261 13.46905 0.000000       13.46905 
1 1 1 20  12  15 o 116.4120 16.70680 349.9736       90.32112 0.000000       0.000000 349.9736       90.32112 ?        ?        116.4120 16.70680 0.000000       16.70680 
1 1 1 20  12  16 o 132.4227 15.47913 448.0685       96.15141 0.000000       0.000000 448.0685       96.15141 ?        ?        132.4227 15.47913 0.000000       15.47913 
1 1 1 20  12  17 o 108.7663 14.58265 302.3070       73.92079 0.000000       0.000000 302.3070       73.92079 ?        ?        108.7663 14.58265 0.000000       14.58265 
1 1 1 20  12  18 o 137.6807 14.81508 483.9382       95.98532 0.000000       0.000000 483.9382       95.98532 ?        ?        137.6807 14.81508 0.000000       14.81508 
1 1 1 20  12  19 o 119.1856 17.14716 372.5818       94.89829 0.000000       0.000000 372.5818       94.89829 ?        ?        119.1856 17.14716 0.000000       17.14716 
1 1 1 20  12  20 o 64.77067 19.40628 113.9051       64.80593 0.000000       0.000000 113.9051       64.80593 ?        ?        64.77067 19.40628 0.000000       19.40628 
1 1 1 20  12  21 o 50.74709 20.52843 44.47113       77.20114 70.57689       136.2740 32.13303       93.68478 63.23095 26.58152 51.95541 21.95135 11.27555       34.47374 
1 1 1 20  12  22 f 55.24584 19.03342 79.18883       60.91620 -35.85477      243.4966 86.86971       62.91689 65.98000 30.88469 57.27734 19.35190 8.702656       36.44668 
1 1 1 20  12  23 o 56.76608 24.38464 45.17253       119.0195 16.44963       125.9609 284.4392       363.5489 54.68106 24.24330 87.18417 39.69118 -32.50312      46.50943 
1 1 1 20  12  24 o 56.36416 24.58157 39.87982       124.6864 21.74788       127.8680 390.6978       562.4457 54.92977 24.38589 88.21399 42.78705 -33.28422      49.24838 
1 1 1 20  13  0  o 93.48361 23.28123 242.0264       103.6553 0.000000       0.000000 242.0264       103.6553 ?        ?        93.48361 23.28123 0.000000       23.28123 
1 1 1 20  13  1  o 83.11903 23.74944 190.9587       99.07823 0.000000       0.000000 190.9587       99.07823 ?        ?        83.11903 23.74944 0.000000       23.74944 
1 1 1 20  13  2  o 50.43171 22.49706 -20.51793      110.1740 0.000000       0.000000 -20.51793      110.1740 ?        ?        50.43171 22.49706 0.000000       22.49706 
1 1 1 20  13  3  o 115.1259 20.82883 352.3600       110.4235 0.000000       0.000000 352.3600       110.4235 ?        ?        115.1259 20.82883 0.000000       20.82883 
1 1 1 20  13  4  o 281.4613 13.24236 1963.012       177.6941 0.000000       0.000000 1963.012       177.6941 ?        ?        281.4613 13.24236 0.000000       13.24236 
1 1 1 20  13  5  o 53.83156 19.33858 66.01771       63.36179 0.000000       0.000000 66.01771       63.36179 ?        ?        53.83156 19.33858 0.000000       19.33858 
1 1 1 20  13  6  o 73.25332 18.86768 141.9575       66.47953 0.000000       0.000000 141.9575       66.47953 ?        ?        73.25332 18.86768 0.000000       18.86768 
1 1 1 20  13  7  o 61.25893 19.14218 96.42625       62.21087 0.000000       0.000000 96.42625       62.21087 ?        ?        61.25893 19.14218 0.000000       19.14218 
1 1 1 20  13  8  o 135.2626 13.41397 456.2201       85.60328 0.000000       0.000000 456.2201       85.60328 ?        ?        135.2626 13.41397 0.000000       13.41397 
1 1 1 20  13  9  o 114.4953 19.46895 343.3148       102.7595 0.000000       0.000000 343.3148       102.7595 ?        ?        114.4953 19.46895 0.000000       19.46895 
1 1 1 20  13  10 o 206.7412 12.75620 1057.746       125.4690 0.000000       0.000000 1057.746       125.4690 ?        ?        206.7412 12.75620 0.000000       12.75620 
1 1 1 20  13  11 f 41.56939 18.78393 -31.40894      79.59433 0.000000       0.000000 -31.40894      79.59433 ?        ?        41.56939 18.78393 0.000000       18.78393 
1 1 1 20  13  12 o 61.68155 20.99889 95.33385       74.09344 0.000000       0.000000 95.33385       74.09344 ?        ?        61.68155 20.99889 0.000000       20.99889 
1 1 1 20  13  13 o 99.73803 18.72187 262.1475       85.99481 0.000000       0.000000 262.1475       85.99481 ?        ?        99.73803 18.72187 0.000000       18.72187 
1 1 1 20  13  14 o 90.87914 20.29807 222.5021       85.96239 0.000000       0.000000 222.5021       85.96239 ?        ?        90.87914 20.29807 0.000000       20.29807 
1 1 1 20  13  15 o 136.4614 14.45328 471.1763       92.86246 0.000000       0.000000 471.1763       92.86246 ?        ?        136.4614 14.45328 0.000000       14.45328 
1 1 1 20  13  16 o 46.07348 17.26698 44.09394       51.37187 0.000000       0.000000 44.09394       51.37187 ?        ?        46.07348 17.26698 0.000000       17.26698 
1 1 1 20  13  17 o 42.32352 18.77719 -12.69109      75.69055 0.000000       0.000000 -12.69109      75.69055 ?        ?        42.32352 18.77719 0.000000       18.77719 
1 1 1 20  13  18 o 46.77988 20.14575 9.755017       81.62785 0.000000       0.000000 9.755017       81.62785 ?        ?        46.77988 20.14575 0.000000       20.14575 
1 1 1 20  13  19 o 44.66005 17.17454 38.85250       51.62667 0.000000       0.000000 38.85250       51.62667 ?        ?        44.66005 17.17454 0.000000       17.17454 
1 1 1 20  13  20 o 64.13248 23.41540 105.6651       93.38206 0.000000       0.000000 105.6651       93.38206 ?        ?        64.13248 23.41540 0.000000       23.41540 
1 1 1 20  13  21 o 66.24001 19.39617 120.8779       65.34290 287.5677       145.8568 79.02346       73.08749 95.24677 29.23528 56.62537 20.70889 38.62140       35.82680 
1 1 1 20  13  22 o 124.3388 17.83711 416.1116       103.0003 730.1040       256.1067 355.5247       112.4996 140.5951 37.43760 111.7739 21.83582 28.82121       43.34025 
1 1 1 20  13  23 f 108.7465 29.23036 388.4712       155.2218 517.3027       169.2040 -295.8108      389.9574 127.3294 28.50678 66.74328 33.02077 60.58611       43.62348 
1 1 1 20  13  24 o 45.02544 22.41031 -330.2483      190.3079 -503.2307      219.5371 192.7232       381.7210 44.21799 22.29353 80.63277 38.03220 -36.41478      44.08458 
1 1 1 20  14  0  o 147.5358 16.28616 556.8015       112.9651 0.000000       0.000000 556.8015       112.9651 ?        ?        147.5358 16.28616 0.000000       16.28616 
1 1 1 20  14  1  o 50.19560 21.77028 5.567889       96.66998 0.000000       0.000000 5.567889       96.66998 ?        ?        50.19560 21.77028 0.000000       21.77028 
1 1 1 20  14  2  o 36.83357 17.73106 -122.2855      92.17558 0.000000       0.000000 -122.2855      92.17558 ?        ?        36.83357 17.73106 0.000000       17.73106 
1 1 1 20  14  3  o 101.1004 23.69928 282.2868       112.5449 0.000000       0.000000 282.2868       112.5449 ?        ?        101.1004 23.69928 0.000000       23.69928 
1 1 1 20  14  4  f 186.7148 13.50289 868.8370       119.7209 0.000000       0.000000 868.8370       119.7209 ?        ?        186.7148 13.50289 0.000000       13.50289 
1 1 1 20  14  5  o 130.7301 14.58870 430.7803       89.62801 0.000000       0.000000 430.7803       89.62801 ?        ?        130.7301 14.58870 0.000000       14.58870 
1 1 1 20  14  6  o 61.62994 23.05312 84.99532       91.47966 0.000000       0.000000 84.99532       91.47966 ?        ?        61.62994 23.05312 0.000000       23.05312 
1 1 1 20  14  7  o 117.9327 20.14987 367.1169       109.5323 0.000000       0.000000 367.1169       109.5323 ?        ?        117.9327 20.14987 0.000000       20.14987 
1 1 1 20  14  8  o 61.61721 23.61128 80.33383       97.33810 0.000000       0.000000 80.33383       97.33810 ?        ?        61.61721 23.61128 0.000000       23.61128 
1 1 1 20  14  9  o 109.9735 18.51907 315.8434       93.91204 0.000000       0.000000 315.8434       93.91204 ?        ?        109.9735 18.51907 0.000000       18.51907 
1 1 1 20  14  10 o 161.4666 12.98187 648.6031       99.37005 0.000000       0.000000 648.6031       99.37005 ?        ?        161.4666 12.98187 0.000000       12.98187 
1 1 1 20  14  11 o 70.54514 18.10205 131.8086       61.35099 0.000000       0.000000 131.8086       61.35099 ?        ?        70.54514 18.10205 0.000000       18.10205 
1 1 1 20  14  12 o 112.7298 17.98622 331.2698       93.68098 0.000000       0.000000 331.2698       93.68098 ?        ?        112.7298 17.98622 0.000000       17.98622 
1 1 1 20  14  13 o 49.24895 20.39971 28.21886       78.52946 0.000000       0.000000 28.21886       78.52946 ?        ?        49.24895 20.39971 0.000000       20.39971 
1 1 1 20  14  14 o 151.0404 13.28702 571.5267       94.96957 0.000000       0.000000 571.5267       94.96957 ?        ?        151.0404 13.28702 0.000000       13.28702 
1 1 1 20  14  15 o 136.0942 14.62883 470.1378       93.68993 0.000000       0.000000 470.1378       93.68993 ?        ?        136.0942 14.62883 0.000000       14.62883 
1 1 1 20  14  16 o 116.5868 17.13478 354.5559       92.66003 0.000000       0.000000 354.5559       92.66003 ?        ?        116.5868 17.13478 0.000000       17.13478 
1 1 1 20  14  17 o 46.66679 17.57787 45.32295       53.38349 0.000000       0.000000 45.32295       53.38349 ?        ?        46.66679 17.57787 0.000000       17.57787 
1 1 1 20  14  18 o 102.2866 19.78562 283.4273       93.25657 0.000000       0.000000 283.4273       93.25657 ?        ?        102.2866 19.78562 0.000000       19.78562 
1 1 1 20  14  19 o 79.32873 17.82122 169.3895       65.93475 0.000000       0.000000 169.3895       65.93475 ?        ?        79.32873 17.82122 0.000000       17.82122 
1 1 1 20  14  20 o 53.82183 21.72379 52.95127       86.23881 0.000000       0.000000 52.95127       86.23881 ?        ?        53.82183 21.72379 0.000000       21.72379 
1 1 1 20  14  21 o 69.93775 19.91558 136.7748       69.78811 0.000000       0.000000 136.7748       69.78811 ?        ?        69.93775 19.91558 0.000000       19.91558 
1 1 1 20  14  22 o 85.59863 21.21274 210.5413       86.36653 170.4373       156.8745 227.9835       103.4571 75.53117 29.68519 87.18244 24.04387 -11.65128      38.20102 
1 1 1 20  14  23 o 83.87114 22.08908 207.5464       89.78265 245.7311       160.3745 190.1161       108.3538 84.61228 30.71672 78.30219 25.35588 6.310089       39.83010 
1 1 1 20  15  0  o 131.4558 15.48459 441.0024       95.45205 0.000000       0.000000 441.0024       95.45205 ?        ?        131.4558 15.48459 0.000000       15.48459 
1 1 1 20  15  1  o 166.9523 15.26213 706.4876       120.4733 0.000000       0.000000 706.4876       120.4733 ?        ?        166.9523 15.26213 0.000000       15.26213 
1 1 1 20  15  2  o 116.4146 23.69705 373.9220       127.3999 0.000000       0.000000 373.9220       127.3999 ?        ?        116.4146 23.69705 0.000000       23.69705 
1 1 1 20  15  3  o 209.8499 12.50389 1092.647       124.8787 0.000000       0.000000 1092.647       124.8787 ?        ?        209.8499 12.50389 0.000000       12.50389 
1 1 1 20  15  4  o 136.8295 18.22011 486.5443       116.2302 0.000000       0.000000 486.5443       116.2302 ?        ?        136.8295 18.22011 0.000000       18.22011 
1 1 1 20  15  5  o 77.60931 22.53969 164.5535       88.56004 0.000000       0.000000 164.5535       88.56004 ?        ?        77.60931 22.53969 0.000000       22.53969 
1 1 1 20  15  6  o 71.58411 23.69336 136.1862       94.37991 0.000000       0.000000 136.1862       94.37991 ?        ?        71.58411 23.69336 0.000000       23.69336 
1 1 1 20  15  7  o 38.29937 16.99393 -14.42572      62.01572 0.000000       0.000000 -14.42572      62.01572 ?        ?        38.29937 16.99393 0.000000       16.99393 
1 1 1 20  15  8  o 66.38629 23.20554 111.5392       90.70252 0.000000       0.000000 111.5392       90.70252 ?        ?        66.38629 23.20554 0.000000       23.20554 
1 1 1 20  15  9  o 128.3669 16.73189 423.4477       100.2434 0.000000       0.000000 423.4477       100.2434 ?        ?        128.3669 16.73189 0.000000       16.73189 
1 1 1 20  15  10 o 156.9059 14.70160 621.1041       108.9996 0.000000       0.000000 621.1041       108.9996 ?        ?        156.9059 14.70160 0.000000       14.70160 
1 1 1 20  15  11 o 197.3322 12.73374 968.3212       119.4916 0.000000       0.000000 968.3212       119.4916 ?        ?        197.3322 12.73374 0.000000       12.73374 
1 1 1 20  15  12 o 106.2796 18.51673 297.6981       90.66782 0.000000       0.000000 297.6981       90.66782 ?        ?        106.2796 18.51673 0.000000       18.51673 
1 1 1 20  15  13 o 125.6842 17.36623 410.3739       101.5649 0.000000       0.000000 410.3739       101.5649 ?        ?        125.6842 17.36623 0.000000       17.36623 
1 1 1 20  15  14 o 186.5374 13.23493 871.1091       117.2645 0.000000       0.000000 871.1091       117.2645 ?        ?        186.5374 13.23493 0.000000       13.23493 
1 1 1 20  15  15 f 83.31255 22.43940 193.4405       91.36317 0.000000       0.000000 193.4405       91.36317 ?        ?        83.31255 22.43940 0.000000       22.43940 
1 1 1 20  15  16 o 207.6681 15.12004 1096.686       149.0890 0.000000       0.000000 1096.686       149.0890 ?        ?        207.6681 15.12004 0.000000       15.12004 
1 1 1 20  15  17 o 84.73092 21.84080 200.4448       89.03479 0.000000       0.000000 200.4448       89.03479 ?        ?        84.73092 21.84080 0.000000       21.84080 
1 1 1 20  15  18 o 28.79130 13.49508 -42.25351      46.75343 0.000000       0.000000 -42.25351      46.75343 ?        ?        28.79130 13.49508 0.000000       13.49508 
1 1 1 20  15  19 o 190.6943 13.21609 918.7421       119.7440 0.000000       0.000000 918.7421       119.7440 ?        ?        190.6943 13.21609 0.000000       13.21609 
1 1 1 20  15  20 o 73.83250 18.76231 150.4424       66.35438 0.000000       0.000000 150.4424       66.35438 ?        ?        73.83250 18.76231 0.000000       18.76231 
1 1 1 20  15  21 o 93.68954 22.88383 256.5715       101.6051 0.000000       0.000000 256.5715       101.6051 ?        ?        93.68954 22.88383 0.000000       22.88383 
1 1 1 20  15  22 f 69.19550 22.90912 139.5842       88.23368 302.8310       156.8592 64.02328       106.7177 94.11256 30.51041 57.37557 23.77468 36.73699       38.67972 
1 1 1 20  15  23 o 67.87075 22.76344 135.1570       87.06125 138.5639       162.6929 133.7900       103.0589 70.60192 29.31384 67.65252 24.61418 2.949402       38.27740 
1 1 1 20  16  0  o 98.66758 19.28180 261.1339       87.69354 0.000000       0.000000 261.1339       87.69354 ?        ?        98.66758 19.28180 0.000000       19.28180 
1 1 1 20  16  1  o 67.27286 26.56966 98.60485       126.2221 0.000000       0.000000 98.60485       126.2221 ?        ?        67.27286 26.56966 0.000000       26.56966 
1 1 1 20  16  2  o 185.6820 13.49970 863.2590       119.0215 0.000000       0.000000 863.2590       119.0215 ?        ?        185.6820 13.49970 0.000000       13.49970 
1 1 1 20  16  3  o 53.96488 23.51867 7.684080       113.9656 0.000000       0.000000 7.684080       113.9656 ?        ?        53.96488 23.51867 0.000000       23.51867 
1 1 1 20  16  4  o 42.29778 19.29174 -39.89520      86.38780 0.000000       0.000000 -39.89520      86.38780 ?        ?        42.29778 19.29174 0.000000       19.29174 
1 1 1 20  16  5  f 79.22634 20.45055 170.1741       77.98652 0.000000       0.000000 170.1741       77.98652 ?        ?        79.22634 20.45055 0.000000       20.45055 
1 1 1 20  16  6  o 128.9342 17.72812 431.7787       106.3897 0.000000       0.000000 431.7787       106.3897 ?        ?        128.9342 17.72812 0.000000       17.72812 
1 1 1 20  16  7  o 65.97675 24.89085 101.8472       107.1373 0.000000       0.000000 101.8472       107.1373 ?        ?        65.97675 24.89085 0.000000       24.89085 
1 1 1 20  16  8  f 55.27405 19.63030 72.72186       65.09893 0.000000       0.000000 72.72186       65.09893 ?        ?        55.27405 19.63030 0.000000       19.63030 
1 1 1 20  16  9  o 44.80288 20.06091 -22.07685      88.47837 0.000000       0.000000 -22.07685      88.47837 ?        ?        44.80288 20.06091 0.000000       20.06091 
1 1 1 20  16  10 o 62.19794 19.90639 101.0628       66.91595 0.000000       0.000000 101.0628       66.91595 ?        ?        62.19794 19.90639 0.000000       19.90639 
1 1 1 20  16  11 o 178.9636 13.47263 802.4507       114.4260 0.000000       0.000000 802.4507       114.4260 ?        ?        178.9636 13.47263 0.000000       13.47263 
1 1 1 20  16  12 o 90.99440 21.91373 228.3519       94.18834 0.000000       0.000000 228.3519       94.18834 ?        ?        90.99440 21.91373 0.000000       21.91373 
1 1 1 20  16  13 o 55.38960 18.32115 77.76796       56.43556 0.000000       0.000000 77.76796       56.43556 ?        ?        55.38960 18.32115 0.000000       18.32115 
1 1 1 20  16  14 o 109.8791 18.99549 321.4710       96.17822 0.000000       0.000000 321.4710       96.17822 ?        ?        109.8791 18.99549 0.000000       18.99549 
1 1 1 20  16  15 o 62.66087 19.27130 104.6043       63.33865 0.000000       0.000000 104.6043       63.33865 ?        ?        62.66087 19.27130 0.000000       19.27130 
1 1 1 20  16  16 o 63.53204 22.87556 102.5643       88.71701 0.000000       0.000000 102.5643       88.71701 ?        ?        63.53204 22.87556 0.000000       22.87556 
1 1 1 20  16  17 o 33.31277 15.03764 -20.20679      50.85934 0.000000       0.000000 -20.20679      50.85934 ?        ?        33.31277 15.03764 0.000000       15.03764 
1 1 1 20  16  18 o 91.16724 21.55507 234.1277       92.46066 0.000000       0.000000 234.1277       92.46066 ?        ?        91.16724 21.55507 0.000000       21.55507 
1 1 1 20  16  19 o 36.08595 15.89439 -6.322832      53.29648 0.000000       0.000000 -6.322832      53.29648 ?        ?        36.08595 15.89439 0.000000       15.89439 
1 1 1 20  16  20 o 46.17942 18.00199 42.59760       57.30125 0.000000       0.000000 42.59760       57.30125 ?        ?        46.17942 18.00199 0.000000       18.00199 
1 1 1 20  16  21 o 90.74467 22.93053 243.7606       99.50650 0.000000       0.000000 243.7606       99.50650 ?        ?        90.74467 22.93053 0.000000       22.93053 
1 1 1 20  16  22 o 40.85643 19.19935 -65.32263      95.67999 0.000000       0.000000 -65.32263      95.67999 ?        ?        40.85643 19.19935 0.000000       19.19935 
1 1 1 20  17  0  o 78.13811 25.44037 175.3260       108.9942 0.000000       0.000000 175.3260       108.9942 ?        ?        78.13811 25.44037 0.000000       25.44037 
1 1 1 20  17  1  o 32.06566 15.65633 -131.1954      78.80480 0.000000       0.000000 -131.1954      78.80480 ?        ?        32.06566 15.65633 0.000000       15.65633 
1 1 1 20  17  2  o 88.22195 27.53526 229.6168       128.7644 0.000000       0.000000 229.6168       128.7644 ?        ?        88.22195 27.53526 0.000000       27.53526 
1 1 1 20  17  3  o 55.46649 20.76380 68.93590       74.24246 0.000000       0.000000 68.93590       74.24246 ?        ?        55.46649 20.76380 0.000000       20.76380 
1 1 1 20  17  4  o 73.43724 25.80515 145.2455       112.2578 0.000000       0.000000 145.2455       112.2578 ?        ?        73.43724 25.80515 0.000000       25.80515 
1 1 1 20  17  5  o 45.91866 20.38467 -13.43488      89.34095 0.000000       0.000000 -13.43488      89.34095 ?        ?        45.91866 20.38467 0.000000       20.38467 
1 1 1 20  17  6  o 35.59430 16.36479 -38.79379      63.84434 0.000000       0.000000 -38.79379      63.84434 ?        ?        35.59430 16.36479 0.000000       16.36479 
1 1 1 20  17  7  o 201.2202 13.12139 1011.549       125.5407 0.000000       0.000000 1011.549       125.5407 ?        ?        201.2202 13.12139 0.000000       13.12139 
1 1 1 20  17  8  f 129.3205 16.09019 429.8361       97.33477 0.000000       0.000000 429.8361       97.33477 ?        ?        129.3205 16.09019 0.000000       16.09019 
1 1 1 20  17  9  o 65.42856 23.64504 107.2041       94.89130 0.000000       0.000000 107.2041       94.89130 ?        ?        65.42856 23.64504 0.000000       23.64504 
1 1 1 20  17  10 o 129.9733 15.65454 433.0533       95.31898 0.000000       0.000000 433.0533       95.31898 ?        ?        129.9733 15.65454 0.000000       15.65454 
1 1 1 20  17  11 o 155.6836 14.51912 614.2614       106.8206 0.000000       0.000000 614.2614       106.8206 ?        ?        155.6836 14.51912 0.000000       14.51912 
1 1 1 20  17  12 o 148.5175 15.11820 562.6579       105.8512 0.000000       0.000000 562.6579       105.8512 ?        ?        148.5175 15.11820 0.000000       15.11820 
1 1 1 20  17  13 o 44.28204 19.67192 -12.88363      83.34911 0.000000       0.000000 -12.88363      83.34911 ?        ?        44.28204 19.67192 0.000000       19.67192 
1 1 1 20  17  14 o 65.69449 19.69141 116.7641       66.71362 0.000000       0.000000 116.7641       66.71362 ?        ?        65.69449 19.69141 0.000000       19.69141 
1 1 1 20  17  15 o 71.70844 23.36427 143.3939       91.92199 0.000000       0.000000 143.3939       91.92199 ?        ?        71.70844 23.36427 0.000000       23.36427 
1 1 1 20  17  16 o 29.87179 14.00297 -44.53373      50.36076 0.000000       0.000000 -44.53373      50.36076 ?        ?        29.87179 14.00297 0.000000       14.00297 
1 1 1 20  17  17 o 49.92455 21.22794 25.42263       88.55380 0.000000       0.000000 25.42263       88.55380 ?        ?        49.92455 21.22794 0.000000       21.22794 
1 1 1 20  17  18 f 75.30652 24.21432 166.3060       98.92923 0.000000       0.000000 166.3060       98.92923 ?        ?        75.30652 24.21432 0.000000       24.21432 
1 1 1 20  17  19 o 148.2198 14.55488 569.1785       101.8105 0.000000       0.000000 569.1785       101.8105 ?        ?        148.2198 14.55488 0.000000       14.55488 
1 1 1 20  17  20 o 35.41728 17.08741 -107.7140      86.75131 0.000000       0.000000 -107.7140      86.75131 ?        ?        35.41728 17.08741 0.000000       17.08741 
1 1 1 20  18  1  o 212.6143 13.26116 1141.290       134.1265 0.000000       0.000000 1141.290       134.1265 ?        ?        212.6143 13.26116 0.000000       13.26116 
1 1 1 20  18  2  o 28.53863 14.11283 -147.6129      70.93787 0.000000       0.000000 -147.6129      70.93787 ?        ?        28.53863 14.11283 0.000000       14.11283 
1 1 1 20  18  3  o 71.69328 23.03900 143.3762       89.56770 0.000000       0.000000 143.3762       89.56770 ?        ?        71.69328 23.03900 0.000000       23.03900 
1 1 1 20  18  4  o 33.40621 15.68484 -56.06792      63.61900 0.000000       0.000000 -56.06792      63.61900 ?        ?        33.40621 15.68484 0.000000       15.68484 
1 1 1 20  18  5  o 52.85696 23.11313 9.377653       110.8684 0.000000       0.000000 9.377653       110.8684 ?        ?        52.85696 23.11313 0.000000       23.11313 
1 1 1 20  18  6  o 88.54938 18.31182 210.5077       74.96116 0.000000       0.000000 210.5077       74.96116 ?        ?        88.54938 18.31182 0.000000       18.31182 
1 1 1 20  18  7  o 75.12404 26.24617 157.4476       116.0204 0.000000       0.000000 157.4476       116.0204 ?        ?        75.12404 26.24617 0.000000       26.24617 
1 1 1 20  18  8  f 99.75098 17.55854 263.4204       80.67954 0.000000       0.000000 263.4204       80.67954 ?        ?        99.75098 17.55854 0.000000       17.55854 
1 1 1 20  18  9  o 79.74454 25.85380 183.0142       112.6313 0.000000       0.000000 183.0142       112.6313 ?        ?        79.74454 25.85380 0.000000       25.85380 
1 1 1 20  18  10 o 43.50864 18.10307 20.26272       62.23565 0.000000       0.000000 20.26272       62.23565 ?        ?        43.50864 18.10307 0.000000       18.10307 
1 1 1 20  18  11 o 70.91166 23.86721 138.9622       95.70333 0.000000       0.000000 138.9622       95.70333 ?        ?        70.91166 23.86721 0.000000       23.86721 
1 1 1 20  18  12 o 38.40700 16.41398 6.081028       53.42168 0.000000       0.000000 6.081028       53.42168 ?        ?        38.40700 16.41398 0.000000       16.41398 
1 1 1 20  18  13 o 44.52922 19.91652 -15.61586      86.95261 0.000000       0.000000 -15.61586      86.95261 ?        ?        44.52922 19.91652 0.000000       19.91652 
1 1 1 20  18  14 o 82.46846 23.66682 197.4999       98.18227 0.000000       0.000000 197.4999       98.18227 ?        ?        82.46846 23.66682 0.000000       23.66682 
1 1 1 20  18  15 o 100.1189 17.05126 267.2231       78.69465 0.000000       0.000000 267.2231       78.69465 ?        ?        100.1189 17.05126 0.000000       17.05126 
1 1 1 20  18  16 o 54.57233 22.42184 52.42231       93.84496 0.000000       0.000000 52.42231       93.84496 ?        ?        54.57233 22.42184 0.000000       22.42184 
1 1 1 20  18  17 o 47.71638 21.30055 -6.508286      98.94595 0.000000       0.000000 -6.508286      98.94595 ?        ?        47.71638 21.30055 0.000000       21.30055 
1 1 1 20  18  18 o 82.37676 21.26037 195.7218       84.29430 0.000000       0.000000 195.7218       84.29430 ?        ?        82.37676 21.26037 0.000000       21.26037 
1 1 1 20  19  4  o 77.81554 16.84880 162.3872       60.86295 0.000000       0.000000 162.3872       60.86295 ?        ?        77.81554 16.84880 0.000000       16.84880 
1 1 1 20  19  5  o 94.38052 21.06701 249.1541       92.64832 0.000000       0.000000 249.1541       92.64832 ?        ?        94.38052 21.06701 0.000000       21.06701 
1 1 1 20  19  6  o 50.10121 19.47706 51.02739       66.93064 0.000000       0.000000 51.02739       66.93064 ?        ?        50.10121 19.47706 0.000000       19.47706 
1 1 1 20  19  7  o 104.5176 22.08165 307.9598       106.8770 0.000000       0.000000 307.9598       106.8770 ?        ?        104.5176 22.08165 0.000000       22.08165 
1 1 1 20  19  8  o 46.28573 19.26519 26.15573       70.51733 0.000000       0.000000 26.15573       70.51733 ?        ?        46.28573 19.26519 0.000000       19.26519 
1 1 1 20  19  9  o 102.5686 18.61425 284.4887       87.91776 0.000000       0.000000 284.4887       87.91776 ?        ?        102.5686 18.61425 0.000000       18.61425 
1 1 1 20  19  10 o 74.52671 25.72235 160.3875       111.2731 0.000000       0.000000 160.3875       111.2731 ?        ?        74.52671 25.72235 0.000000       25.72235 
1 1 1 20  19  11 o 119.7026 18.18321 384.4131       100.7911 0.000000       0.000000 384.4131       100.7911 ?        ?        119.7026 18.18321 0.000000       18.18321 
1 1 1 20  19  12 o 148.8523 15.01461 573.1614       105.3921 0.000000       0.000000 573.1614       105.3921 ?        ?        148.8523 15.01461 0.000000       15.01461 
1 1 1 20  19  13 o 23.45018 11.55542 -92.73586      46.11214 0.000000       0.000000 -92.73586      46.11214 ?        ?        23.45018 11.55542 0.000000       11.55542 
1 1 1 20  19  14 o 90.26392 17.20123 219.7297       71.52117 0.000000       0.000000 219.7297       71.52117 ?        ?        90.26392 17.20123 0.000000       17.20123 
1 1 1 20  19  15 o 77.90414 23.45589 179.1120       94.50319 0.000000       0.000000 179.1120       94.50319 ?        ?        77.90414 23.45589 0.000000       23.45589 
1 1 1 21  4   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4   12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   0  o 54.24892 22.11787 60.17996       90.44315 0.000000       0.000000 60.17996       90.44315 ?        ?        54.24892 22.11787 0.000000       22.11787 
1 1 1 21  5   1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5   11 o 58.80863 20.97518 92.69839       74.39906 0.000000       0.000000 92.69839       74.39906 ?        ?        58.80863 20.97518 0.000000       20.97518 
1 1 1 21  5   12 o 58.67221 22.38381 87.60536       87.22762 0.000000       0.000000 87.60536       87.22762 ?        ?        58.67221 22.38381 0.000000       22.38381 
1 1 1 21  5   13 o 62.39449 17.85605 108.6435       55.96394 0.000000       0.000000 108.6435       55.96394 ?        ?        62.39449 17.85605 0.000000       17.85605 
1 1 1 21  5   14 o 43.54684 17.03382 38.20845       51.44634 0.000000       0.000000 38.20845       51.44634 ?        ?        43.54684 17.03382 0.000000       17.03382 
1 1 1 21  5   15 o 105.2690 14.25294 292.0811       69.89099 0.000000       0.000000 292.0811       69.89099 ?        ?        105.2690 14.25294 0.000000       14.25294 
1 1 1 21  6   0  o 70.40524 27.29163 140.9551       131.1224 0.000000       0.000000 140.9551       131.1224 ?        ?        70.40524 27.29163 0.000000       27.29163 
1 1 1 21  6   1  o 171.8343 11.94619 745.4332       97.52922 0.000000       0.000000 745.4332       97.52922 ?        ?        171.8343 11.94619 0.000000       11.94619 
1 1 1 21  6   2  o 33.77958 15.94359 -61.00154      67.28985 0.000000       0.000000 -61.00154      67.28985 ?        ?        33.77958 15.94359 0.000000       15.94359 
1 1 1 21  6   3  o 58.54905 21.06718 88.54259       75.23004 0.000000       0.000000 88.54259       75.23004 ?        ?        58.54905 21.06718 0.000000       21.06718 
1 1 1 21  6   4  o 70.87402 21.99391 142.9857       82.28187 0.000000       0.000000 142.9857       82.28187 ?        ?        70.87402 21.99391 0.000000       21.99391 
1 1 1 21  6   5  o 102.5890 16.61880 279.4467       78.72347 0.000000       0.000000 279.4467       78.72347 ?        ?        102.5890 16.61880 0.000000       16.61880 
1 1 1 21  6   6  f 29.75596 14.42228 -93.98991      63.60331 0.000000       0.000000 -93.98991      63.60331 ?        ?        29.75596 14.42228 0.000000       14.42228 
1 1 1 21  6   7  o 38.38779 16.71802 -0.2993575     57.49895 0.000000       0.000000 -0.2993575     57.49895 ?        ?        38.38779 16.71802 0.000000       16.71802 
1 1 1 21  6   8  o 62.93419 21.55192 107.1611       78.06944 0.000000       0.000000 107.1611       78.06944 ?        ?        62.93419 21.55192 0.000000       21.55192 
1 1 1 21  6   9  o 132.6459 11.51959 441.9450       72.32953 0.000000       0.000000 441.9450       72.32953 ?        ?        132.6459 11.51959 0.000000       11.51959 
1 1 1 21  6   10 o 188.3161 12.76554 897.8179       114.2511 0.000000       0.000000 897.8179       114.2511 ?        ?        188.3161 12.76554 0.000000       12.76554 
1 1 1 21  6   11 o 51.00142 19.69398 56.37988       68.08367 0.000000       0.000000 56.37988       68.08367 ?        ?        51.00142 19.69398 0.000000       19.69398 
1 1 1 21  6   12 o 77.44363 19.75504 169.0355       73.36645 0.000000       0.000000 169.0355       73.36645 ?        ?        77.44363 19.75504 0.000000       19.75504 
1 1 1 21  6   13 o 91.17927 17.18034 225.5253       72.14565 0.000000       0.000000 225.5253       72.14565 ?        ?        91.17927 17.18034 0.000000       17.18034 
1 1 1 21  6   14 o 89.68592 19.70201 227.0623       82.16416 0.000000       0.000000 227.0623       82.16416 ?        ?        89.68592 19.70201 0.000000       19.70201 
1 1 1 21  6   15 o 123.2529 13.81350 394.5357       79.99840 0.000000       0.000000 394.5357       79.99840 ?        ?        123.2529 13.81350 0.000000       13.81350 
1 1 1 21  6   16 o 33.33390 15.63521 -48.83795      62.94511 0.000000       0.000000 -48.83795      62.94511 ?        ?        33.33390 15.63521 0.000000       15.63521 
1 1 1 21  6   17 o 29.57390 13.55901 -23.21804      43.41275 0.000000       0.000000 -23.21804      43.41275 ?        ?        29.57390 13.55901 0.000000       13.55901 
1 1 1 21  7   0  o 91.23798 22.69172 242.0476       98.56847 0.000000       0.000000 242.0476       98.56847 ?        ?        91.23798 22.69172 0.000000       22.69172 
1 1 1 21  7   1  o 70.26528 24.84434 139.6954       104.1755 0.000000       0.000000 139.6954       104.1755 ?        ?        70.26528 24.84434 0.000000       24.84434 
1 1 1 21  7   2  o 57.10702 23.79441 53.46199       107.7369 0.000000       0.000000 53.46199       107.7369 ?        ?        57.10702 23.79441 0.000000       23.79441 
1 1 1 21  7   3  o 180.0750 12.24321 814.4568       104.7772 0.000000       0.000000 814.4568       104.7772 ?        ?        180.0750 12.24321 0.000000       12.24321 
1 1 1 21  7   4  o 104.2827 17.53636 289.7511       84.33037 0.000000       0.000000 289.7511       84.33037 ?        ?        104.2827 17.53636 0.000000       17.53636 
1 1 1 21  7   5  o 92.11694 21.10056 237.0026       90.92583 0.000000       0.000000 237.0026       90.92583 ?        ?        92.11694 21.10056 0.000000       21.10056 
1 1 1 21  7   6  o 52.51779 21.47143 45.01998       85.52256 0.000000       0.000000 45.01998       85.52256 ?        ?        52.51779 21.47143 0.000000       21.47143 
1 1 1 21  7   7  o 52.88069 20.83021 55.55353       77.39640 0.000000       0.000000 55.55353       77.39640 ?        ?        52.88069 20.83021 0.000000       20.83021 
1 1 1 21  7   8  o 98.35551 25.76565 286.7885       122.5821 0.000000       0.000000 286.7885       122.5821 ?        ?        98.35551 25.76565 0.000000       25.76565 
1 1 1 21  7   9  o 116.2890 14.49267 347.9287       78.83027 0.000000       0.000000 347.9287       78.83027 ?        ?        116.2890 14.49267 0.000000       14.49267 
1 1 1 21  7   10 o 183.1202 12.28409 841.9024       106.9222 0.000000       0.000000 841.9024       106.9222 ?        ?        183.1202 12.28409 0.000000       12.28409 
1 1 1 21  7   11 f 33.66758 15.42153 -30.07703      55.98356 0.000000       0.000000 -30.07703      55.98356 ?        ?        33.66758 15.42153 0.000000       15.42153 
1 1 1 21  7   12 o 108.7293 15.78920 309.9622       79.67818 0.000000       0.000000 309.9622       79.67818 ?        ?        108.7293 15.78920 0.000000       15.78920 
1 1 1 21  7   13 o 91.57671 20.64390 235.7520       88.21507 0.000000       0.000000 235.7520       88.21507 ?        ?        91.57671 20.64390 0.000000       20.64390 
1 1 1 21  7   14 o 29.59160 13.99144 -51.89786      52.24379 0.000000       0.000000 -51.89786      52.24379 ?        ?        29.59160 13.99144 0.000000       13.99144 
1 1 1 21  7   15 f 105.9324 20.35587 315.3858       99.34739 0.000000       0.000000 315.3858       99.34739 ?        ?        105.9324 20.35587 0.000000       20.35587 
1 1 1 21  7   16 o 58.03474 18.23326 92.23078       56.36583 0.000000       0.000000 92.23078       56.36583 ?        ?        58.03474 18.23326 0.000000       18.23326 
1 1 1 21  7   17 o 127.4930 16.27377 434.7984       96.93529 0.000000       0.000000 434.7984       96.93529 ?        ?        127.4930 16.27377 0.000000       16.27377 
1 1 1 21  7   18 o 66.26061 20.37105 127.0527       70.78180 0.000000       0.000000 127.0527       70.78180 ?        ?        66.26061 20.37105 0.000000       20.37105 
1 1 1 21  8   0  o 133.2653 16.62554 467.2318       103.6281 0.000000       0.000000 467.2318       103.6281 ?        ?        133.2653 16.62554 0.000000       16.62554 
1 1 1 21  8   1  o 74.29130 24.30543 158.1518       99.42721 0.000000       0.000000 158.1518       99.42721 ?        ?        74.29130 24.30543 0.000000       24.30543 
1 1 1 21  8   2  o 75.54926 24.78329 163.5546       103.3450 0.000000       0.000000 163.5546       103.3450 ?        ?        75.54926 24.78329 0.000000       24.78329 
1 1 1 21  8   3  o 246.1713 11.59509 1507.930       136.0811 0.000000       0.000000 1507.930       136.0811 ?        ?        246.1713 11.59509 0.000000       11.59509 
1 1 1 21  8   4  o 67.86366 25.01165 120.0468       106.9437 0.000000       0.000000 120.0468       106.9437 ?        ?        67.86366 25.01165 0.000000       25.01165 
1 1 1 21  8   5  o 129.9661 15.15835 434.6002       92.42059 0.000000       0.000000 434.6002       92.42059 ?        ?        129.9661 15.15835 0.000000       15.15835 
1 1 1 21  8   6  o 89.65484 28.03440 242.6609       133.4102 0.000000       0.000000 242.6609       133.4102 ?        ?        89.65484 28.03440 0.000000       28.03440 
1 1 1 21  8   7  o 60.90566 23.24281 86.40205       94.06895 0.000000       0.000000 86.40205       94.06895 ?        ?        60.90566 23.24281 0.000000       23.24281 
1 1 1 21  8   8  o 83.72579 22.75891 198.9774       93.46909 0.000000       0.000000 198.9774       93.46909 ?        ?        83.72579 22.75891 0.000000       22.75891 
1 1 1 21  8   9  o 187.2143 12.39178 877.9341       110.2885 0.000000       0.000000 877.9341       110.2885 ?        ?        187.2143 12.39178 0.000000       12.39178 
1 1 1 21  8   10 o 193.6730 12.06529 937.5374       111.1611 0.000000       0.000000 937.5374       111.1611 ?        ?        193.6730 12.06529 0.000000       12.06529 
1 1 1 21  8   11 o 126.4612 17.08057 420.3732       100.6306 0.000000       0.000000 420.3732       100.6306 ?        ?        126.4612 17.08057 0.000000       17.08057 
1 1 1 21  8   12 o 127.8817 18.47149 436.7453       109.6638 0.000000       0.000000 436.7453       109.6638 ?        ?        127.8817 18.47149 0.000000       18.47149 
1 1 1 21  8   13 o 47.52004 19.45246 33.67878       70.30445 0.000000       0.000000 33.67878       70.30445 ?        ?        47.52004 19.45246 0.000000       19.45246 
1 1 1 21  8   14 o 110.0553 15.52296 316.5125       79.41016 0.000000       0.000000 316.5125       79.41016 ?        ?        110.0553 15.52296 0.000000       15.52296 
1 1 1 21  8   15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  8   16 o 49.20309 19.45639 48.06165       67.75880 0.000000       0.000000 48.06165       67.75880 ?        ?        49.20309 19.45639 0.000000       19.45639 
1 1 1 21  8   17 o 114.3663 15.22805 344.3387       81.19541 0.000000       0.000000 344.3387       81.19541 ?        ?        114.3663 15.22805 0.000000       15.22805 
1 1 1 21  8   18 o 97.42615 17.26278 258.8323       77.46410 0.000000       0.000000 258.8323       77.46410 ?        ?        97.42615 17.26278 0.000000       17.26278 
1 1 1 21  8   19 o 100.7180 17.50217 278.7032       81.21964 0.000000       0.000000 278.7032       81.21964 ?        ?        100.7180 17.50217 0.000000       17.50217 
1 1 1 21  9   0  o 100.6821 26.52765 304.3235       129.4547 0.000000       0.000000 304.3235       129.4547 ?        ?        100.6821 26.52765 0.000000       26.52765 
1 1 1 21  9   1  f 150.0181 15.40826 579.8254       108.9419 0.000000       0.000000 579.8254       108.9419 ?        ?        150.0181 15.40826 0.000000       15.40826 
1 1 1 21  9   2  o 249.3683 11.93247 1549.260       141.8463 0.000000       0.000000 1549.260       141.8463 ?        ?        249.3683 11.93247 0.000000       11.93247 
1 1 1 21  9   3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  9   4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  9   5  o 71.38116 27.10604 131.0486       127.5431 0.000000       0.000000 131.0486       127.5431 ?        ?        71.38116 27.10604 0.000000       27.10604 
1 1 1 21  9   6  o 49.78950 22.35325 -19.58989      110.6578 0.000000       0.000000 -19.58989      110.6578 ?        ?        49.78950 22.35325 0.000000       22.35325 
1 1 1 21  9   7  o 44.09433 20.31802 -51.11040      99.18845 0.000000       0.000000 -51.11040      99.18845 ?        ?        44.09433 20.31802 0.000000       20.31802 
1 1 1 21  9   8  o 126.1772 19.73454 427.5542       115.1487 0.000000       0.000000 427.5542       115.1487 ?        ?        126.1772 19.73454 0.000000       19.73454 
1 1 1 21  9   9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  9   10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  9   11 o 84.88980 38.13023 146.8687       322.4218 0.000000       0.000000 146.8687       322.4218 ?        ?        84.88980 38.13023 0.000000       38.13023 
1 1 1 21  9   12 o 43.13768 18.85890 -0.9906299     73.77534 0.000000       0.000000 -0.9906299     73.77534 ?        ?        43.13768 18.85890 0.000000       18.85890 
1 1 1 21  9   13 o 69.64346 21.47185 134.5022       78.57054 0.000000       0.000000 134.5022       78.57054 ?        ?        69.64346 21.47185 0.000000       21.47185 
1 1 1 21  9   14 o 107.8909 16.53828 306.3807       82.59111 0.000000       0.000000 306.3807       82.59111 ?        ?        107.8909 16.53828 0.000000       16.53828 
1 1 1 21  9   15 o 176.6479 12.01394 783.2075       100.8579 0.000000       0.000000 783.2075       100.8579 ?        ?        176.6479 12.01394 0.000000       12.01394 
1 1 1 21  9   16 o 181.2070 12.46383 829.1239       107.3202 0.000000       0.000000 829.1239       107.3202 ?        ?        181.2070 12.46383 0.000000       12.46383 
1 1 1 21  9   17 o 63.41563 20.20931 111.7977       69.02555 0.000000       0.000000 111.7977       69.02555 ?        ?        63.41563 20.20931 0.000000       20.20931 
1 1 1 21  9   18 o 51.40997 20.02760 57.91710       70.88416 0.000000       0.000000 57.91710       70.88416 ?        ?        51.40997 20.02760 0.000000       20.02760 
1 1 1 21  9   19 o 110.2608 16.51475 327.1232       84.38060 0.000000       0.000000 327.1232       84.38060 ?        ?        110.2608 16.51475 0.000000       16.51475 
1 1 1 21  9   20 o 87.65784 19.86764 220.4654       81.33134 0.000000       0.000000 220.4654       81.33134 ?        ?        87.65784 19.86764 0.000000       19.86764 
1 1 1 21  10  0  o 81.21955 24.52460 191.2964       103.2039 0.000000       0.000000 191.2964       103.2039 ?        ?        81.21955 24.52460 0.000000       24.52460 
1 1 1 21  10  1  f 117.6339 20.57021 377.0826       111.4755 0.000000       0.000000 377.0826       111.4755 ?        ?        117.6339 20.57021 0.000000       20.57021 
1 1 1 21  10  2  o 122.1614 17.30991 391.4465       98.26873 0.000000       0.000000 391.4465       98.26873 ?        ?        122.1614 17.30991 0.000000       17.30991 
1 1 1 21  10  3  o 55.18646 23.33226 35.04738       105.9601 0.000000       0.000000 35.04738       105.9601 ?        ?        55.18646 23.33226 0.000000       23.33226 
1 1 1 21  10  4  o 57.39470 20.89717 79.01821       74.30186 0.000000       0.000000 79.01821       74.30186 ?        ?        57.39470 20.89717 0.000000       20.89717 
1 1 1 21  10  5  o 51.21516 21.54338 28.41072       89.59808 0.000000       0.000000 28.41072       89.59808 ?        ?        51.21516 21.54338 0.000000       21.54338 
1 1 1 21  10  6  o 63.45872 24.32968 93.26424       103.3879 0.000000       0.000000 93.26424       103.3879 ?        ?        63.45872 24.32968 0.000000       24.32968 
1 1 1 21  10  7  o 60.46217 19.84155 95.57559       66.23774 0.000000       0.000000 95.57559       66.23774 ?        ?        60.46217 19.84155 0.000000       19.84155 
1 1 1 21  10  8  o 113.3995 18.24953 340.5123       95.58304 0.000000       0.000000 340.5123       95.58304 ?        ?        113.3995 18.24953 0.000000       18.24953 
1 1 1 21  10  9  o 64.71214 22.20246 110.0972       82.86350 0.000000       0.000000 110.0972       82.86350 ?        ?        64.71214 22.20246 0.000000       22.20246 
1 1 1 21  10  10 o 62.39995 21.18699 101.7806       75.42068 0.000000       0.000000 101.7806       75.42068 ?        ?        62.39995 21.18699 0.000000       21.18699 
1 1 1 21  10  11 o 57.72750 20.75698 81.70388       73.01613 0.000000       0.000000 81.70388       73.01613 ?        ?        57.72750 20.75698 0.000000       20.75698 
1 1 1 21  10  12 o 103.7871 17.53904 285.1742       83.93006 0.000000       0.000000 285.1742       83.93006 ?        ?        103.7871 17.53904 0.000000       17.53904 
1 1 1 21  10  13 o 129.4237 14.58661 428.9601       88.68589 0.000000       0.000000 428.9601       88.68589 ?        ?        129.4237 14.58661 0.000000       14.58661 
1 1 1 21  10  14 o 84.71368 20.00885 197.9702       79.73622 0.000000       0.000000 197.9702       79.73622 ?        ?        84.71368 20.00885 0.000000       20.00885 
1 1 1 21  10  15 o 156.7163 11.30177 612.7264       84.10892 0.000000       0.000000 612.7264       84.10892 ?        ?        156.7163 11.30177 0.000000       11.30177 
1 1 1 21  10  16 o 72.30275 21.33776 147.6239       78.81800 0.000000       0.000000 147.6239       78.81800 ?        ?        72.30275 21.33776 0.000000       21.33776 
1 1 1 21  10  17 o 73.06446 20.82738 151.5002       76.28582 0.000000       0.000000 151.5002       76.28582 ?        ?        73.06446 20.82738 0.000000       20.82738 
1 1 1 21  10  18 o 121.6518 16.19884 392.3345       91.87360 0.000000       0.000000 392.3345       91.87360 ?        ?        121.6518 16.19884 0.000000       16.19884 
1 1 1 21  10  19 o 173.7249 12.52039 768.4753       103.2917 0.000000       0.000000 768.4753       103.2917 ?        ?        173.7249 12.52039 0.000000       12.52039 
1 1 1 21  10  20 o 49.43600 20.15485 45.15765       75.09813 0.000000       0.000000 45.15765       75.09813 ?        ?        49.43600 20.15485 0.000000       20.15485 
1 1 1 21  11  0  o 102.5975 17.97519 280.8996       84.95776 0.000000       0.000000 280.8996       84.95776 ?        ?        102.5975 17.97519 0.000000       17.97519 
1 1 1 21  11  1  o 61.64757 21.49854 98.06359       77.82281 0.000000       0.000000 98.06359       77.82281 ?        ?        61.64757 21.49854 0.000000       21.49854 
1 1 1 21  11  2  o 115.6206 20.74357 363.5897       110.4510 0.000000       0.000000 363.5897       110.4510 ?        ?        115.6206 20.74357 0.000000       20.74357 
1 1 1 21  11  3  o 73.62003 24.58588 150.1315       101.5733 0.000000       0.000000 150.1315       101.5733 ?        ?        73.62003 24.58588 0.000000       24.58588 
1 1 1 21  11  4  o 85.60826 25.70928 211.8771       113.6404 0.000000       0.000000 211.8771       113.6404 ?        ?        85.60826 25.70928 0.000000       25.70928 
1 1 1 21  11  5  o 91.58765 24.58732 240.1243       109.9105 0.000000       0.000000 240.1243       109.9105 ?        ?        91.58765 24.58732 0.000000       24.58732 
1 1 1 21  11  6  o 69.64200 24.68170 128.3719       102.8662 0.000000       0.000000 128.3719       102.8662 ?        ?        69.64200 24.68170 0.000000       24.68170 
1 1 1 21  11  7  o 63.60793 21.15254 106.5241       75.20048 0.000000       0.000000 106.5241       75.20048 ?        ?        63.60793 21.15254 0.000000       21.15254 
1 1 1 21  11  8  o 82.33952 23.03595 190.7004       94.22360 0.000000       0.000000 190.7004       94.22360 ?        ?        82.33952 23.03595 0.000000       23.03595 
1 1 1 21  11  9  o 118.9360 18.15898 373.3236       99.98746 0.000000       0.000000 373.3236       99.98746 ?        ?        118.9360 18.15898 0.000000       18.15898 
1 1 1 21  11  10 o 47.51688 20.20508 17.04728       80.23151 0.000000       0.000000 17.04728       80.23151 ?        ?        47.51688 20.20508 0.000000       20.20508 
1 1 1 21  11  11 o 101.4171 19.01373 276.0759       88.80450 0.000000       0.000000 276.0759       88.80450 ?        ?        101.4171 19.01373 0.000000       19.01373 
1 1 1 21  11  12 o 82.39434 16.59682 179.5478       63.11494 0.000000       0.000000 179.5478       63.11494 ?        ?        82.39434 16.59682 0.000000       16.59682 
1 1 1 21  11  13 o 66.68609 22.07309 120.3633       81.91271 0.000000       0.000000 120.3633       81.91271 ?        ?        66.68609 22.07309 0.000000       22.07309 
1 1 1 21  11  14 o 59.91236 21.74957 89.32304       80.40529 0.000000       0.000000 89.32304       80.40529 ?        ?        59.91236 21.74957 0.000000       21.74957 
1 1 1 21  11  15 o 151.1384 14.02227 582.0812       100.1661 0.000000       0.000000 582.0812       100.1661 ?        ?        151.1384 14.02227 0.000000       14.02227 
1 1 1 21  11  16 o 101.5914 18.22022 278.1395       85.24390 0.000000       0.000000 278.1395       85.24390 ?        ?        101.5914 18.22022 0.000000       18.22022 
1 1 1 21  11  17 o 34.91780 16.44611 -61.79176      70.91763 0.000000       0.000000 -61.79176      70.91763 ?        ?        34.91780 16.44611 0.000000       16.44611 
1 1 1 21  11  18 o 88.57298 20.40959 221.9122       84.64932 0.000000       0.000000 221.9122       84.64932 ?        ?        88.57298 20.40959 0.000000       20.40959 
1 1 1 21  11  19 o 195.4323 12.23317 967.8753       113.7260 0.000000       0.000000 967.8753       113.7260 ?        ?        195.4323 12.23317 0.000000       12.23317 
1 1 1 21  11  20 f 70.75565 17.97067 140.0232       60.89629 0.000000       0.000000 140.0232       60.89629 ?        ?        70.75565 17.97067 0.000000       17.97067 
1 1 1 21  12  0  o 85.80000 25.90845 217.5074       115.1783 0.000000       0.000000 217.5074       115.1783 ?        ?        85.80000 25.90845 0.000000       25.90845 
1 1 1 21  12  1  o 121.7895 22.47593 412.2341       126.0486 0.000000       0.000000 412.2341       126.0486 ?        ?        121.7895 22.47593 0.000000       22.47593 
1 1 1 21  12  2  o 146.3033 18.76831 566.3561       128.2568 0.000000       0.000000 566.3561       128.2568 ?        ?        146.3033 18.76831 0.000000       18.76831 
1 1 1 21  12  3  o 188.6963 15.48832 909.5082       138.4969 0.000000       0.000000 909.5082       138.4969 ?        ?        188.6963 15.48832 0.000000       15.48832 
1 1 1 21  12  4  o 56.71785 24.05614 35.81762       113.2362 0.000000       0.000000 35.81762       113.2362 ?        ?        56.71785 24.05614 0.000000       24.05614 
1 1 1 21  12  5  o 63.97845 24.87090 91.74213       109.1308 0.000000       0.000000 91.74213       109.1308 ?        ?        63.97845 24.87090 0.000000       24.87090 
1 1 1 21  12  6  o 57.57108 23.59527 54.07355       103.5956 0.000000       0.000000 54.07355       103.5956 ?        ?        57.57108 23.59527 0.000000       23.59527 
1 1 1 21  12  7  o 141.6618 17.53773 523.3408       116.2432 0.000000       0.000000 523.3408       116.2432 ?        ?        141.6618 17.53773 0.000000       17.53773 
1 1 1 21  12  8  o 164.4744 15.29361 690.3496       118.8809 0.000000       0.000000 690.3496       118.8809 ?        ?        164.4744 15.29361 0.000000       15.29361 
1 1 1 21  12  9  o 124.3757 18.50978 408.8303       106.7151 0.000000       0.000000 408.8303       106.7151 ?        ?        124.3757 18.50978 0.000000       18.50978 
1 1 1 21  12  10 o 126.7979 17.82592 422.2166       105.0822 0.000000       0.000000 422.2166       105.0822 ?        ?        126.7979 17.82592 0.000000       17.82592 
1 1 1 21  12  11 o 60.99133 22.23174 91.38420       84.12903 0.000000       0.000000 91.38420       84.12903 ?        ?        60.99133 22.23174 0.000000       22.23174 
1 1 1 21  12  12 o 46.98549 20.13417 12.96013       80.77624 0.000000       0.000000 12.96013       80.77624 ?        ?        46.98549 20.13417 0.000000       20.13417 
1 1 1 21  12  13 o 50.37167 20.27320 42.83068       74.87244 0.000000       0.000000 42.83068       74.87244 ?        ?        50.37167 20.27320 0.000000       20.27320 
1 1 1 21  12  14 o 51.85149 20.62338 49.84992       76.54998 0.000000       0.000000 49.84992       76.54998 ?        ?        51.85149 20.62338 0.000000       20.62338 
1 1 1 21  12  15 o 211.3613 12.37907 1119.832       124.5422 0.000000       0.000000 1119.832       124.5422 ?        ?        211.3613 12.37907 0.000000       12.37907 
1 1 1 21  12  16 o 155.4507 13.89623 616.4996       102.1876 0.000000       0.000000 616.4996       102.1876 ?        ?        155.4507 13.89623 0.000000       13.89623 
1 1 1 21  12  17 o 112.5296 17.27378 337.9770       89.96696 0.000000       0.000000 337.9770       89.96696 ?        ?        112.5296 17.27378 0.000000       17.27378 
1 1 1 21  12  18 o 95.38084 16.55808 243.4835       72.76835 0.000000       0.000000 243.4835       72.76835 ?        ?        95.38084 16.55808 0.000000       16.55808 
1 1 1 21  12  19 o 72.59313 17.78773 145.7991       61.24222 0.000000       0.000000 145.7991       61.24222 ?        ?        72.59313 17.78773 0.000000       17.78773 
1 1 1 21  12  20 f 131.7638 16.46201 464.7628       101.4458 0.000000       0.000000 464.7628       101.4458 ?        ?        131.7638 16.46201 0.000000       16.46201 
1 1 1 21  13  0  o 59.75570 24.09249 71.68611       105.9432 0.000000       0.000000 71.68611       105.9432 ?        ?        59.75570 24.09249 0.000000       24.09249 
1 1 1 21  13  1  o 110.0731 25.89088 355.1687       133.9529 0.000000       0.000000 355.1687       133.9529 ?        ?        110.0731 25.89088 0.000000       25.89088 
1 1 1 21  13  2  o 64.68671 22.28099 110.4151       83.47569 0.000000       0.000000 110.4151       83.47569 ?        ?        64.68671 22.28099 0.000000       22.28099 
1 1 1 21  13  3  o 59.27321 20.46976 89.43484       70.47231 0.000000       0.000000 89.43484       70.47231 ?        ?        59.27321 20.46976 0.000000       20.46976 
1 1 1 21  13  4  o 265.4434 11.87996 1749.480       150.3812 0.000000       0.000000 1749.480       150.3812 ?        ?        265.4434 11.87996 0.000000       11.87996 
1 1 1 21  13  5  o 74.57669 24.12489 154.5457       98.10342 0.000000       0.000000 154.5457       98.10342 ?        ?        74.57669 24.12489 0.000000       24.12489 
1 1 1 21  13  6  o 116.5982 21.76326 372.3217       116.8568 0.000000       0.000000 372.3217       116.8568 ?        ?        116.5982 21.76326 0.000000       21.76326 
1 1 1 21  13  7  o 87.61132 24.72693 219.7078       108.0666 0.000000       0.000000 219.7078       108.0666 ?        ?        87.61132 24.72693 0.000000       24.72693 
1 1 1 21  13  8  o 86.81386 24.63113 215.5729       106.9440 0.000000       0.000000 215.5729       106.9440 ?        ?        86.81386 24.63113 0.000000       24.63113 
1 1 1 21  13  9  o 65.24146 24.26704 104.8395       101.0865 0.000000       0.000000 104.8395       101.0865 ?        ?        65.24146 24.26704 0.000000       24.26704 
1 1 1 21  13  10 o 221.8733 11.93538 1224.027       126.1386 0.000000       0.000000 1224.027       126.1386 ?        ?        221.8733 11.93538 0.000000       11.93538 
1 1 1 21  13  11 o 215.7829 11.86893 1158.023       121.9723 0.000000       0.000000 1158.023       121.9723 ?        ?        215.7829 11.86893 0.000000       11.86893 
1 1 1 21  13  12 o 152.1685 14.62152 590.0848       105.0640 0.000000       0.000000 590.0848       105.0640 ?        ?        152.1685 14.62152 0.000000       14.62152 
1 1 1 21  13  13 o 121.5447 14.82896 379.1870       84.38798 0.000000       0.000000 379.1870       84.38798 ?        ?        121.5447 14.82896 0.000000       14.82896 
1 1 1 21  13  14 o 48.56807 17.35582 55.54593       50.96288 0.000000       0.000000 55.54593       50.96288 ?        ?        48.56807 17.35582 0.000000       17.35582 
1 1 1 21  13  15 o 119.5191 17.52466 378.6150       97.16367 0.000000       0.000000 378.6150       97.16367 ?        ?        119.5191 17.52466 0.000000       17.52466 
1 1 1 21  13  16 o 114.7540 18.93614 356.6968       100.2681 0.000000       0.000000 356.6968       100.2681 ?        ?        114.7540 18.93614 0.000000       18.93614 
1 1 1 21  13  17 o 41.07664 16.62089 25.43356       50.62330 0.000000       0.000000 25.43356       50.62330 ?        ?        41.07664 16.62089 0.000000       16.62089 
1 1 1 21  13  18 o 115.6708 14.81001 349.1432       80.02418 0.000000       0.000000 349.1432       80.02418 ?        ?        115.6708 14.81001 0.000000       14.81001 
1 1 1 21  13  19 o 97.30817 20.53027 269.0637       92.50272 0.000000       0.000000 269.0637       92.50272 ?        ?        97.30817 20.53027 0.000000       20.53027 
1 1 1 21  13  20 o 81.58709 17.61859 184.0488       66.70911 0.000000       0.000000 184.0488       66.70911 ?        ?        81.58709 17.61859 0.000000       17.61859 
1 1 1 21  14  0  o 88.77476 21.59392 222.6120       90.75838 0.000000       0.000000 222.6120       90.75838 ?        ?        88.77476 21.59392 0.000000       21.59392 
1 1 1 21  14  1  o 122.4237 20.79180 411.4235       117.3448 0.000000       0.000000 411.4235       117.3448 ?        ?        122.4237 20.79180 0.000000       20.79180 
1 1 1 21  14  2  o 85.87054 26.77556 219.3944       121.7884 0.000000       0.000000 219.3944       121.7884 ?        ?        85.87054 26.77556 0.000000       26.77556 
1 1 1 21  14  3  o 43.74984 18.57021 13.56908       67.56686 0.000000       0.000000 13.56908       67.56686 ?        ?        43.74984 18.57021 0.000000       18.57021 
1 1 1 21  14  4  o 130.8773 15.07994 439.2882       92.63371 0.000000       0.000000 439.2882       92.63371 ?        ?        130.8773 15.07994 0.000000       15.07994 
1 1 1 21  14  5  o 193.4233 14.88438 951.6892       136.5832 0.000000       0.000000 951.6892       136.5832 ?        ?        193.4233 14.88438 0.000000       14.88438 
1 1 1 21  14  6  f 67.00479 25.27394 110.5784       110.4488 0.000000       0.000000 110.5784       110.4488 ?        ?        67.00479 25.27394 0.000000       25.27394 
1 1 1 21  14  7  o 94.50117 22.28946 249.0695       99.05946 0.000000       0.000000 249.0695       99.05946 ?        ?        94.50117 22.28946 0.000000       22.28946 
1 1 1 21  14  8  o 61.88797 19.87047 101.2289       66.63587 0.000000       0.000000 101.2289       66.63587 ?        ?        61.88797 19.87047 0.000000       19.87047 
1 1 1 21  14  9  o 104.5368 17.39970 287.7631       83.90460 0.000000       0.000000 287.7631       83.90460 ?        ?        104.5368 17.39970 0.000000       17.39970 
1 1 1 21  14  10 f 99.51270 22.94587 278.3358       106.9353 0.000000       0.000000 278.3358       106.9353 ?        ?        99.51270 22.94587 0.000000       22.94587 
1 1 1 21  14  11 o 230.8263 11.87826 1325.760       130.6422 0.000000       0.000000 1325.760       130.6422 ?        ?        230.8263 11.87826 0.000000       11.87826 
1 1 1 21  14  12 o 77.71296 22.42739 169.9777       87.93488 0.000000       0.000000 169.9777       87.93488 ?        ?        77.71296 22.42739 0.000000       22.42739 
1 1 1 21  14  13 o 92.38654 16.61979 225.3920       70.70906 0.000000       0.000000 225.3920       70.70906 ?        ?        92.38654 16.61979 0.000000       16.61979 
1 1 1 21  14  14 o 91.80070 16.30095 222.4193       68.92242 0.000000       0.000000 222.4193       68.92242 ?        ?        91.80070 16.30095 0.000000       16.30095 
1 1 1 21  14  15 o 48.95732 20.70655 25.45987       83.50597 0.000000       0.000000 25.45987       83.50597 ?        ?        48.95732 20.70655 0.000000       20.70655 
1 1 1 21  14  16 o 57.32597 22.57318 72.09870       90.86189 0.000000       0.000000 72.09870       90.86189 ?        ?        57.32597 22.57318 0.000000       22.57318 
1 1 1 21  14  17 o 83.10149 17.78570 188.6097       68.52844 0.000000       0.000000 188.6097       68.52844 ?        ?        83.10149 17.78570 0.000000       17.78570 
1 1 1 21  14  18 o 92.95313 22.28736 251.7108       97.76131 0.000000       0.000000 251.7108       97.76131 ?        ?        92.95313 22.28736 0.000000       22.28736 
1 1 1 21  14  19 o 60.59969 18.70536 101.8964       59.60762 0.000000       0.000000 101.8964       59.60762 ?        ?        60.59969 18.70536 0.000000       18.70536 
1 1 1 21  15  0  o 69.51281 24.28381 135.3910       99.31874 0.000000       0.000000 135.3910       99.31874 ?        ?        69.51281 24.28381 0.000000       24.28381 
1 1 1 21  15  1  o 107.6871 23.19566 332.0482       115.8900 0.000000       0.000000 332.0482       115.8900 ?        ?        107.6871 23.19566 0.000000       23.19566 
1 1 1 21  15  2  o 126.2065 18.51915 426.3190       108.4184 0.000000       0.000000 426.3190       108.4184 ?        ?        126.2065 18.51915 0.000000       18.51915 
1 1 1 21  15  3  o 138.2077 16.24006 497.4132       105.2618 0.000000       0.000000 497.4132       105.2618 ?        ?        138.2077 16.24006 0.000000       16.24006 
1 1 1 21  15  4  o 53.19523 21.99397 42.24931       91.05400 0.000000       0.000000 42.24931       91.05400 ?        ?        53.19523 21.99397 0.000000       21.99397 
1 1 1 21  15  5  o 98.62959 25.70775 285.7940       122.4364 0.000000       0.000000 285.7940       122.4364 ?        ?        98.62959 25.70775 0.000000       25.70775 
1 1 1 21  15  6  o 63.53896 20.69544 108.0471       72.12457 0.000000       0.000000 108.0471       72.12457 ?        ?        63.53896 20.69544 0.000000       20.69544 
1 1 1 21  15  7  o 153.0273 13.78731 593.3315       99.78828 0.000000       0.000000 593.3315       99.78828 ?        ?        153.0273 13.78731 0.000000       13.78731 
1 1 1 21  15  8  o 61.64436 24.40343 81.05122       106.7070 0.000000       0.000000 81.05122       106.7070 ?        ?        61.64436 24.40343 0.000000       24.40343 
1 1 1 21  15  9  o 43.32754 19.80539 -39.15009      91.70759 0.000000       0.000000 -39.15009      91.70759 ?        ?        43.32754 19.80539 0.000000       19.80539 
1 1 1 21  15  10 o 26.20179 12.76836 -86.95215      51.69340 0.000000       0.000000 -86.95215      51.69340 ?        ?        26.20179 12.76836 0.000000       12.76836 
1 1 1 21  15  11 o 228.7319 12.94147 1314.714       140.9430 0.000000       0.000000 1314.714       140.9430 ?        ?        228.7319 12.94147 0.000000       12.94147 
1 1 1 21  15  12 o 163.1071 14.06139 677.2672       108.5807 0.000000       0.000000 677.2672       108.5807 ?        ?        163.1071 14.06139 0.000000       14.06139 
1 1 1 21  15  13 o 62.57869 18.58493 106.1459       59.63978 0.000000       0.000000 106.1459       59.63978 ?        ?        62.57869 18.58493 0.000000       18.58493 
1 1 1 21  15  14 o 54.61652 19.48505 74.27233       64.20770 0.000000       0.000000 74.27233       64.20770 ?        ?        54.61652 19.48505 0.000000       19.48505 
1 1 1 21  15  15 f 139.1885 16.19210 508.3179       105.7402 0.000000       0.000000 508.3179       105.7402 ?        ?        139.1885 16.19210 0.000000       16.19210 
1 1 1 21  15  16 o 165.1817 14.75883 705.7076       115.3260 0.000000       0.000000 705.7076       115.3260 ?        ?        165.1817 14.75883 0.000000       14.75883 
1 1 1 21  15  17 o 134.1087 17.14076 480.9032       107.3906 0.000000       0.000000 480.9032       107.3906 ?        ?        134.1087 17.14076 0.000000       17.14076 
1 1 1 21  15  18 o 33.35143 15.09970 -19.45132      51.72945 0.000000       0.000000 -19.45132      51.72945 ?        ?        33.35143 15.09970 0.000000       15.09970 
1 1 1 21  16  2  o 114.0009 22.28626 367.6888       117.1106 0.000000       0.000000 367.6888       117.1106 ?        ?        114.0009 22.28626 0.000000       22.28626 
1 1 1 21  16  3  o 104.4577 19.89084 299.9157       95.70798 0.000000       0.000000 299.9157       95.70798 ?        ?        104.4577 19.89084 0.000000       19.89084 
1 1 1 21  16  4  o 55.23337 22.51106 54.57209       93.64634 0.000000       0.000000 54.57209       93.64634 ?        ?        55.23337 22.51106 0.000000       22.51106 
1 1 1 21  16  5  o 30.86863 14.86175 -86.30338      64.81116 0.000000       0.000000 -86.30338      64.81116 ?        ?        30.86863 14.86175 0.000000       14.86175 
1 1 1 21  16  6  o 120.9809 22.44989 410.8065       125.0696 0.000000       0.000000 410.8065       125.0696 ?        ?        120.9809 22.44989 0.000000       22.44989 
1 1 1 21  16  7  o 41.22200 19.33614 -72.11047      96.29273 0.000000       0.000000 -72.11047      96.29273 ?        ?        41.22200 19.33614 0.000000       19.33614 
1 1 1 21  16  8  o 160.5214 15.55642 665.7313       117.8905 0.000000       0.000000 665.7313       117.8905 ?        ?        160.5214 15.55642 0.000000       15.55642 
1 1 1 21  16  9  o 83.88643 24.08307 204.8185       101.6475 0.000000       0.000000 204.8185       101.6475 ?        ?        83.88643 24.08307 0.000000       24.08307 
1 1 1 21  16  10 o 78.83121 25.56545 182.4045       110.1281 0.000000       0.000000 182.4045       110.1281 ?        ?        78.83121 25.56545 0.000000       25.56545 
1 1 1 21  16  11 o 144.7777 14.50719 538.2589       99.06245 0.000000       0.000000 538.2589       99.06245 ?        ?        144.7777 14.50719 0.000000       14.50719 
1 1 1 21  16  12 o 47.00057 20.71495 -0.4251370     90.66119 0.000000       0.000000 -0.4251370     90.66119 ?        ?        47.00057 20.71495 0.000000       20.71495 
1 1 1 21  16  13 f 172.9722 13.87668 764.3651       113.7927 0.000000       0.000000 764.3651       113.7927 ?        ?        172.9722 13.87668 0.000000       13.87668 
1 1 1 21  16  14 o 49.19053 20.68746 30.05594       82.59309 0.000000       0.000000 30.05594       82.59309 ?        ?        49.19053 20.68746 0.000000       20.68746 
1 1 1 21  16  15 o 97.56414 17.63535 257.7503       79.23196 0.000000       0.000000 257.7503       79.23196 ?        ?        97.56414 17.63535 0.000000       17.63535 
1 1 1 21  16  16 o 39.88953 18.62872 -56.90543      87.74345 0.000000       0.000000 -56.90543      87.74345 ?        ?        39.88953 18.62872 0.000000       18.62872 
1 1 1 21  16  17 o 119.2950 16.22831 378.7821       90.15830 0.000000       0.000000 378.7821       90.15830 ?        ?        119.2950 16.22831 0.000000       16.22831 
1 1 1 21  17  5  o 142.4945 16.51652 533.6110       110.4373 0.000000       0.000000 533.6110       110.4373 ?        ?        142.4945 16.51652 0.000000       16.51652 
1 1 1 21  17  6  o 55.97309 21.10691 73.97191       77.01866 0.000000       0.000000 73.97191       77.01866 ?        ?        55.97309 21.10691 0.000000       21.10691 
1 1 1 21  17  7  o 66.58277 24.54634 118.8017       103.0136 0.000000       0.000000 118.8017       103.0136 ?        ?        66.58277 24.54634 0.000000       24.54634 
1 1 1 21  17  8  o 62.36877 21.38270 104.7401       76.85372 0.000000       0.000000 104.7401       76.85372 ?        ?        62.36877 21.38270 0.000000       21.38270 
1 1 1 21  17  9  o 65.95122 21.89067 120.5564       80.54931 0.000000       0.000000 120.5564       80.54931 ?        ?        65.95122 21.89067 0.000000       21.89067 
1 1 1 21  17  10 o 37.72633 18.31076 -141.7749      103.4545 0.000000       0.000000 -141.7749      103.4545 ?        ?        37.72633 18.31076 0.000000       18.31076 
1 1 1 21  17  11 o 111.6917 16.48358 330.4232       85.37793 0.000000       0.000000 330.4232       85.37793 ?        ?        111.6917 16.48358 0.000000       16.48358 
1 1 1 21  17  12 o 50.72181 22.02585 17.91892       99.20564 0.000000       0.000000 17.91892       99.20564 ?        ?        50.72181 22.02585 0.000000       22.02585 
1 1 1 21  17  13 o 145.7643 14.48608 549.4971       99.61639 0.000000       0.000000 549.4971       99.61639 ?        ?        145.7643 14.48608 0.000000       14.48608 
1 1 1 21  17  14 o 47.73454 20.84305 10.33604       89.87638 0.000000       0.000000 10.33604       89.87638 ?        ?        47.73454 20.84305 0.000000       20.84305 
1 1 1 22  8   6  o 39.72372 18.48680 -48.28109      85.21586 0.000000       0.000000 -48.28109      85.21586 ?        ?        39.72372 18.48680 0.000000       18.48680 
1 1 1 22  8   7  o 71.81928 22.42732 153.5294       85.41085 0.000000       0.000000 153.5294       85.41085 ?        ?        71.81928 22.42732 0.000000       22.42732 
1 1 1 22  8   8  o 101.3233 29.22873 347.2359       149.3859 0.000000       0.000000 347.2359       149.3859 ?        ?        101.3233 29.22873 0.000000       29.22873 
1 1 1 22  8   9  o 62.77124 25.50816 98.18074       119.8231 0.000000       0.000000 98.18074       119.8231 ?        ?        62.77124 25.50816 0.000000       25.50816 
1 1 1 22  8   10 o 118.6234 14.94046 371.8843       82.85572 0.000000       0.000000 371.8843       82.85572 ?        ?        118.6234 14.94046 0.000000       14.94046 
1 1 1 22  9   4  o 73.80353 25.79289 167.3026       112.0528 0.000000       0.000000 167.3026       112.0528 ?        ?        73.80353 25.79289 0.000000       25.79289 
1 1 1 22  9   5  o 48.71809 21.75882 -0.8816789     103.3882 0.000000       0.000000 -0.8816789     103.3882 ?        ?        48.71809 21.75882 0.000000       21.75882 
1 1 1 22  9   6  o 52.23381 22.32682 35.50041       98.87171 0.000000       0.000000 35.50041       98.87171 ?        ?        52.23381 22.32682 0.000000       22.32682 
1 1 1 22  9   7  o 66.15099 25.22113 121.9677       110.6983 0.000000       0.000000 121.9677       110.6983 ?        ?        66.15099 25.22113 0.000000       25.22113 
1 1 1 22  9   8  o 62.52034 24.10797 102.9833       101.9190 0.000000       0.000000 102.9833       101.9190 ?        ?        62.52034 24.10797 0.000000       24.10797 
1 1 1 22  9   9  o 60.51720 23.07835 95.48846       92.70083 0.000000       0.000000 95.48846       92.70083 ?        ?        60.51720 23.07835 0.000000       23.07835 
1 1 1 22  9   10 o 172.1601 14.94054 776.2961       121.7560 0.000000       0.000000 776.2961       121.7560 ?        ?        172.1601 14.94054 0.000000       14.94054 
1 1 1 22  9   11 o 56.18422 22.77352 68.46565       95.22771 0.000000       0.000000 68.46565       95.22771 ?        ?        56.18422 22.77352 0.000000       22.77352 
1 1 1 22  9   12 o 64.68180 32.51054 -495.1192      447.9966 0.000000       0.000000 -495.1192      447.9966 ?        ?        64.68180 32.51054 0.000000       32.51054 
1 1 1 22  10  3  o 62.13214 23.36896 103.0434       94.27656 0.000000       0.000000 103.0434       94.27656 ?        ?        62.13214 23.36896 0.000000       23.36896 
1 1 1 22  10  4  f 160.5724 16.34827 684.4857       123.7537 0.000000       0.000000 684.4857       123.7537 ?        ?        160.5724 16.34827 0.000000       16.34827 
1 1 1 22  10  5  o 44.93079 21.33015 -94.22459      123.7999 0.000000       0.000000 -94.22459      123.7999 ?        ?        44.93079 21.33015 0.000000       21.33015 
1 1 1 22  10  6  o 47.18398 19.72927 30.39191       74.45559 0.000000       0.000000 30.39191       74.45559 ?        ?        47.18398 19.72927 0.000000       19.72927 
1 1 1 22  10  7  o 44.92046 20.89480 -53.78693      108.6478 0.000000       0.000000 -53.78693      108.6478 ?        ?        44.92046 20.89480 0.000000       20.89480 
1 1 1 22  10  8  o 58.17597 23.77154 71.20379       104.7553 0.000000       0.000000 71.20379       104.7553 ?        ?        58.17597 23.77154 0.000000       23.77154 
1 1 1 22  10  9  o 33.42495 16.39967 -150.0981      89.68371 0.000000       0.000000 -150.0981      89.68371 ?        ?        33.42495 16.39967 0.000000       16.39967 
1 1 1 22  10  10 o 126.8906 17.85819 437.4883       105.3435 0.000000       0.000000 437.4883       105.3435 ?        ?        126.8906 17.85819 0.000000       17.85819 
1 1 1 22  10  11 o 79.92377 23.43593 192.6054       95.33837 0.000000       0.000000 192.6054       95.33837 ?        ?        79.92377 23.43593 0.000000       23.43593 
1 1 1 22  10  12 o 51.05895 21.21872 43.62803       85.35233 0.000000       0.000000 43.62803       85.35233 ?        ?        51.05895 21.21872 0.000000       21.21872 
1 1 1 22  10  13 o 42.64294 19.11977 -10.68070      80.66882 0.000000       0.000000 -10.68070      80.66882 ?        ?        42.64294 19.11977 0.000000       19.11977 
1 1 1 22  11  3  o 60.62215 25.04882 77.81161       118.0028 0.000000       0.000000 77.81161       118.0028 ?        ?        60.62215 25.04882 0.000000       25.04882 
1 1 1 22  11  4  o 47.67088 22.14344 -52.13554      121.3665 0.000000       0.000000 -52.13554      121.3665 ?        ?        47.67088 22.14344 0.000000       22.14344 
1 1 1 22  11  5  o 68.77514 26.35549 132.5627       121.2832 0.000000       0.000000 132.5627       121.2832 ?        ?        68.77514 26.35549 0.000000       26.35549 
1 1 1 22  11  6  f 122.1318 19.21061 410.9266       108.4702 0.000000       0.000000 410.9266       108.4702 ?        ?        122.1318 19.21061 0.000000       19.21061 
1 1 1 22  11  7  o 34.18047 16.83465 -173.4471      97.46812 0.000000       0.000000 -173.4471      97.46812 ?        ?        34.18047 16.83465 0.000000       16.83465 
1 1 1 22  11  8  o 88.33060 24.54849 236.5642       107.3873 0.000000       0.000000 236.5642       107.3873 ?        ?        88.33060 24.54849 0.000000       24.54849 
1 1 1 22  11  9  o 36.28346 16.14069 -10.01547      56.30605 0.000000       0.000000 -10.01547      56.30605 ?        ?        36.28346 16.14069 0.000000       16.14069 
1 1 1 22  11  10 o 114.8126 18.74737 362.2364       99.35753 0.000000       0.000000 362.2364       99.35753 ?        ?        114.8126 18.74737 0.000000       18.74737 
1 1 1 22  11  11 o 45.11907 19.67661 8.528463       79.88503 0.000000       0.000000 8.528463       79.88503 ?        ?        45.11907 19.67661 0.000000       19.67661 
1 1 1 22  11  12 o 101.4885 18.94547 286.2735       88.54443 0.000000       0.000000 286.2735       88.54443 ?        ?        101.4885 18.94547 0.000000       18.94547 
1 1 1 22  11  13 o 34.65584 15.24152 -4.150332      48.83727 0.000000       0.000000 -4.150332      48.83727 ?        ?        34.65584 15.24152 0.000000       15.24152 
1 1 1 22  11  14 o 40.92958 16.67114 25.73925       51.32274 0.000000       0.000000 25.73925       51.32274 ?        ?        40.92958 16.67114 0.000000       16.67114 
1 1 1 22  12  4  o 109.1281 25.89315 364.7897       133.0462 0.000000       0.000000 364.7897       133.0462 ?        ?        109.1281 25.89315 0.000000       25.89315 
1 1 1 22  12  5  o 83.98314 26.96292 221.8756       122.6960 0.000000       0.000000 221.8756       122.6960 ?        ?        83.98314 26.96292 0.000000       26.96292 
1 1 1 22  12  6  o 55.33606 23.80241 38.28981       113.6934 0.000000       0.000000 38.28981       113.6934 ?        ?        55.33606 23.80241 0.000000       23.80241 
1 1 1 22  12  7  o 52.70645 22.91261 24.23412       107.5971 0.000000       0.000000 24.23412       107.5971 ?        ?        52.70645 22.91261 0.000000       22.91261 
1 1 1 22  12  8  o 60.61768 24.47184 82.71549       109.4623 0.000000       0.000000 82.71549       109.4623 ?        ?        60.61768 24.47184 0.000000       24.47184 
1 1 1 22  12  9  o 51.82822 22.30102 28.26229       99.86653 0.000000       0.000000 28.26229       99.86653 ?        ?        51.82822 22.30102 0.000000       22.30102 
1 1 1 22  12  10 o 140.2180 17.66559 529.7015       115.8014 0.000000       0.000000 529.7015       115.8014 ?        ?        140.2180 17.66559 0.000000       17.66559 
1 1 1 22  12  11 o 58.18883 22.68949 81.13368       91.04644 0.000000       0.000000 81.13368       91.04644 ?        ?        58.18883 22.68949 0.000000       22.68949 
1 1 1 22  12  12 o 61.44839 22.29491 102.3844       84.47230 0.000000       0.000000 102.3844       84.47230 ?        ?        61.44839 22.29491 0.000000       22.29491 
1 1 1 22  12  13 o 64.18306 23.21058 115.4026       91.45559 0.000000       0.000000 115.4026       91.45559 ?        ?        64.18306 23.21058 0.000000       23.21058 
1 1 1 22  12  14 o 41.12140 18.83254 -30.73254      83.43993 0.000000       0.000000 -30.73254      83.43993 ?        ?        41.12140 18.83254 0.000000       18.83254 
1 1 1 22  13  5  o 55.13349 21.28609 70.49094       79.52731 0.000000       0.000000 70.49094       79.52731 ?        ?        55.13349 21.28609 0.000000       21.28609 
1 1 1 22  13  6  o 78.29340 21.38812 177.0524       82.30975 0.000000       0.000000 177.0524       82.30975 ?        ?        78.29340 21.38812 0.000000       21.38812 
1 1 1 22  13  7  o 65.44381 25.30575 112.9296       112.5262 0.000000       0.000000 112.9296       112.5262 ?        ?        65.44381 25.30575 0.000000       25.30575 
1 1 1 22  13  8  o 49.07359 21.38139 14.57548       94.14099 0.000000       0.000000 14.57548       94.14099 ?        ?        49.07359 21.38139 0.000000       21.38139 
1 1 1 22  13  9  o 64.86073 24.46496 113.3546       103.4908 0.000000       0.000000 113.3546       103.4908 ?        ?        64.86073 24.46496 0.000000       24.46496 
1 1 1 22  13  10 o 62.54107 23.92010 101.5253       99.77559 0.000000       0.000000 101.5253       99.77559 ?        ?        62.54107 23.92010 0.000000       23.92010 
1 1 1 22  13  11 o 108.9581 21.85962 341.6560       109.9062 0.000000       0.000000 341.6560       109.9062 ?        ?        108.9581 21.85962 0.000000       21.85962 
1 1 1 22  13  12 o 43.88390 19.97162 -25.16493      91.94650 0.000000       0.000000 -25.16493      91.94650 ?        ?        43.88390 19.97162 0.000000       19.97162 
1 1 1 22  13  13 o 43.98709 19.75342 -12.13841      86.47709 0.000000       0.000000 -12.13841      86.47709 ?        ?        43.98709 19.75342 0.000000       19.75342 
1 1 1 22  14  8  o 61.75917 24.59328 91.01878       108.9836 0.000000       0.000000 91.01878       108.9836 ?        ?        61.75917 24.59328 0.000000       24.59328 
1 1 1 22  14  9  o 102.6264 22.00126 303.9499       104.7057 0.000000       0.000000 303.9499       104.7057 ?        ?        102.6264 22.00126 0.000000       22.00126 
1 1 1 22  14  10 o 58.84334 23.65372 77.35843       101.7898 0.000000       0.000000 77.35843       101.7898 ?        ?        58.84334 23.65372 0.000000       23.65372 
# 
#END OF REFLECTIONS
